Docking files Search

NS5 RdRp versus Dengue library

Ligand name	POLG_DEN1B, ΔG (kcal/mol)			POLG_DEN1W, ΔG (kcal/mol)')			Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
Ligand name	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
46907418	-10.7	-9.8	-11.9	-10.7	-9.8	-11.9	-10.8±0.9	N609, T793, S317, R791, R791	I796, S795, W794, T793, S600, M760, D662, Y765, L733, A410, V411, F412, R736, R728, K466, S317, V413, Q741, T792, R791, S790, T343, L461, K456, A407, A406, N416, G409, W745, T605	POLG_DEN1B-1_46907418.pdb POLG_DEN1B-2_46907418.pdb POLG_DEN1B-3_46907418.pdb POLG_DEN1W-1_46907418.pdb POLG_DEN1W-2_46907418.pdb POLG_DEN1W-3_46907418.pdb
58928652	-10.4	-10.0	-12.1	-10.4	-9.9	-12.0	-10.8±1.0	W794, A410, R457, S317, R352, T345, G742, S318, S315, T343, T343	K459, W794, Q741, R736, R457, A410, V411, F412, V413, V739, D538, Q350, G465, F464, K466, S317, S313, R352, G742, S318, R791, S315, T345, N416, K456, K456	POLG_DEN1B-1_58928652.pdb POLG_DEN1B-2_58928652.pdb POLG_DEN1B-3_58928652.pdb POLG_DEN1W-1_58928652.pdb POLG_DEN1W-2_58928652.pdb POLG_DEN1W-3_58928652.pdb
59113201	-9.8	-9.8	-12.8	-9.8	-9.8	-12.8	-10.8±1.5	T793, F412, R728, Q741, S317, E458, G742, G742	K459, S795, W794, T793, S709, R457, V411, F412, R736, R728, Q741, F464, K466, S317, A410, R352, V413, E458, G742, L461, K456, S318, T343, G409, G409	POLG_DEN1B-1_59113201.pdb POLG_DEN1B-2_59113201.pdb POLG_DEN1B-3_59113201.pdb POLG_DEN1W-1_59113201.pdb POLG_DEN1W-2_59113201.pdb POLG_DEN1W-3_59113201.pdb
66606315	-10.9	-10.2	-11.3	-10.9	-10.2	-11.3	-10.8±0.5	S795, T793, S709, Q741, Q417, S317, A407, E458, N416, A410, A410	T605, Q741, S795, W794, T793, S709, K459, N609, A410, F412, R736, I796, S313, K466, S317, Q417, V411, V413, E458, G742, W745, S790, E749, K456, R457, A407, A406, N416, N416	POLG_DEN1B-1_66606315.pdb POLG_DEN1B-2_66606315.pdb POLG_DEN1B-3_66606315.pdb POLG_DEN1W-1_66606315.pdb POLG_DEN1W-2_66606315.pdb POLG_DEN1W-3_66606315.pdb
91352289	-10.7	-10.2	-11.5	-10.7	-10.2	-11.5	-10.8±0.6	Q741, R728, K459, S317, K466, W794, A410, S318, S315, S315	I796, S795, W794, T793, S600, Q741, H710, S709, T792, A410, V411, F412, R736, V739, K459, D538, R791, S313, K466, S317, E415, V413, G742, W745, S790, S315, R457, N416, S318, K456, G409, G409	POLG_DEN1B-1_91352289.pdb POLG_DEN1B-2_91352289.pdb POLG_DEN1B-3_91352289.pdb POLG_DEN1W-1_91352289.pdb POLG_DEN1W-2_91352289.pdb POLG_DEN1W-3_91352289.pdb
56214266	-10.7	-9.6	-12.0	-10.7	-9.7	-12.0	-10.8±1.1	T793, S313, S317, T343, S318, R736, E732	Q741, S795, W794, Y757, T792, M760, R457, L733, V411, F412, R736, T793, R728, S313, K466, S317, E415, V413, E458, K459, G742, T343, L461, K456, N416, S318, A410, G409, W745, W745	POLG_DEN1B-1_56214266.pdb POLG_DEN1B-2_56214266.pdb POLG_DEN1B-3_56214266.pdb POLG_DEN1W-1_56214266.pdb POLG_DEN1W-2_56214266.pdb POLG_DEN1W-3_56214266.pdb
59239811	-10.2	-10.4	-11.8	-10.2	-10.4	-11.7	-10.8±0.8	Q741, F464, S317, T345, R791, R791	I796, W794, T793, Q741, D663, D662, K456, R457, F412, R736, K459, G601, S600, Q350, G465, F464, K466, M454, S317, A410, V411, V413, R352, S740, G742, S318, R791, S790, L461, M319, S315, T345, N416, T343, G409, G409	POLG_DEN1B-1_59239811.pdb POLG_DEN1B-2_59239811.pdb POLG_DEN1B-3_59239811.pdb POLG_DEN1W-1_59239811.pdb POLG_DEN1W-2_59239811.pdb POLG_DEN1W-3_59239811.pdb
57324514	-10.7	-10.5	-11.2	-10.7	-10.5	-11.1	-10.8±0.3	T793, R728, R728	R457, I796, S795, W794, T793, S709, M760, Y765, A410, F412, R736, C708, H710, R728, Q741, R791, S790, Q350, E415, V413, K466, G409, I408, G742, L461, M319, K456, T345, N416, V411, T343, T343	POLG_DEN1B-1_57324514.pdb POLG_DEN1B-2_57324514.pdb POLG_DEN1B-3_57324514.pdb POLG_DEN1W-1_57324514.pdb POLG_DEN1W-2_57324514.pdb POLG_DEN1W-3_57324514.pdb
5330694	-9.7	-10.4	-12.2	-9.7	-10.4	-12.2	-10.8±1.2	S709, W745, A410, A410	I796, S795, T793, S709, R457, A410, V411, R736, R728, Q741, W745, R791, S313, F464, K466, S317, G742, W794, K456, N416, N416	POLG_DEN1B-1_5330694.pdb POLG_DEN1B-2_5330694.pdb POLG_DEN1B-3_5330694.pdb POLG_DEN1W-1_5330694.pdb POLG_DEN1W-2_5330694.pdb POLG_DEN1W-3_5330694.pdb
20806832	-10.9	-10.1	-11.3	-10.9	-10.1	-11.3	-10.8±0.5	T793, Q741, G742, W794, A410, K456, K456	I796, S795, T793, T792, K459, R457, F412, R736, R728, Q741, G742, S318, S790, S313, S317, Q417, A410, E458, W794, W745, L461, K456, A407, N416, V411, G409, G409	POLG_DEN1B-1_20806832.pdb POLG_DEN1B-2_20806832.pdb POLG_DEN1B-3_20806832.pdb POLG_DEN1W-1_20806832.pdb POLG_DEN1W-2_20806832.pdb POLG_DEN1W-3_20806832.pdb
53019087	-11.3	-9.7	-11.3	-11.3	-9.7	-11.3	-10.8±0.8	R728, S317, Q741, S318, V411, T343, T343	Q741, S795, W794, T793, T792, K459, M760, R457, L733, E732, V411, F412, R736, V739, R728, G742, E415, G465, F464, K466, S317, S313, Q417, A410, R352, Q350, V413, S315, R791, T343, L461, K456, S318, G409, S709	POLG_DEN1B-1_53019087.pdb POLG_DEN1B-2_53019087.pdb POLG_DEN1B-3_53019087.pdb POLG_DEN1W-1_53019087.pdb POLG_DEN1W-2_53019087.pdb POLG_DEN1W-3_53019087.pdb
67023200	-10.5	-9.9	-11.5	-10.5	-10.7	-11.5	-10.8±0.6	T793, S795, W794, N609, D662, R352, V413, S318, T343, Q741	K459, S795, W794, T793, Q741, N609, D662, R457, A410, F412, R736, V739, I796, D538, Q350, F464, K466, S317, G462, D344, T346, P347, V353, R352, T343, V413, G349, S318, W745, R791, S790, K456, T345, N416, V411, T792, E463	POLG_DEN1B-1_67023200.pdb POLG_DEN1B-2_67023200.pdb POLG_DEN1B-3_67023200.pdb POLG_DEN1W-1_67023200.pdb POLG_DEN1W-2_67023200.pdb POLG_DEN1W-3_67023200.pdb
10274385	-10.6	-9.7	-12.0	-10.6	-9.7	-11.9	-10.8±1.0	S709, E415, K456, K456	K459, S795, T793, T792, Q741, R457, F412, R736, V739, I796, S709, G742, W794, Q350, K466, S317, E415, N416, A410, V413, E458, W745, R791, S790, T343, L461, K456, A407, S318, I340, G409, G409	POLG_DEN1B-1_10274385.pdb POLG_DEN1B-2_10274385.pdb POLG_DEN1B-3_10274385.pdb POLG_DEN1W-1_10274385.pdb POLG_DEN1W-2_10274385.pdb POLG_DEN1W-3_10274385.pdb
16127922	-10.6	-9.7	-12.0	-10.6	-9.7	-11.9	-10.8±1.0	S709, E415, K456, K456	K459, S795, T793, T792, Q741, R457, F412, R736, V739, I796, S709, G742, W794, Q350, K466, S317, E415, N416, A410, V413, E458, W745, R791, S790, T343, L461, K456, A407, S318, I340, G409, G409	POLG_DEN1B-1_16127922.pdb POLG_DEN1B-2_16127922.pdb POLG_DEN1B-3_16127922.pdb POLG_DEN1W-1_16127922.pdb POLG_DEN1W-2_16127922.pdb POLG_DEN1W-3_16127922.pdb
22867339	-10.4	-10.4	-11.5	-10.4	-10.3	-11.5	-10.8±0.6	S795, W794, T793, S709, Q741, S317, N416, S315, S315	I796, S795, W794, T793, T792, H710, A410, V411, F412, R736, R728, Q741, S313, S317, V413, E458, G742, W745, K459, L461, M319, K456, R457, N416, S315, G409, S790, E415	POLG_DEN1B-1_22867339.pdb POLG_DEN1B-2_22867339.pdb POLG_DEN1B-3_22867339.pdb POLG_DEN1W-1_22867339.pdb POLG_DEN1W-2_22867339.pdb POLG_DEN1W-3_22867339.pdb
44309064	-10.8	-10.2	-11.2	-10.8	-10.3	-11.2	-10.8±0.4	W794, T793, R736, S313, Q741, S317, A410, A410	Q741, W794, T793, T792, K459, M760, R736, R457, L733, E732, A410, V411, F412, V413, R728, S313, S317, E415, E458, G742, W745, L461, K456, N416, S318, S315, G409, G409	POLG_DEN1B-1_44309064.pdb POLG_DEN1B-2_44309064.pdb POLG_DEN1B-3_44309064.pdb POLG_DEN1W-1_44309064.pdb POLG_DEN1W-2_44309064.pdb POLG_DEN1W-3_44309064.pdb
57386264	-10.5	-10.3	-11.4	-10.5	-10.4	-11.4	-10.8±0.5		I796, S795, W794, T793, S709, M760, D663, D662, L733, E732, F412, R736, R728, T792, K459, Q350, K466, M454, G462, D344, I340, R352, M342, T343, G349, E458, Q741, G742, S318, R791, M319, S315, T345, V411, V413, V739, G409, K456, K456	POLG_DEN1B-1_57386264.pdb POLG_DEN1B-2_57386264.pdb POLG_DEN1B-3_57386264.pdb POLG_DEN1W-1_57386264.pdb POLG_DEN1W-2_57386264.pdb POLG_DEN1W-3_57386264.pdb
88884325	-9.7	-11.3	-11.3	-9.6	-11.3	-11.3	-10.8±0.9	Q741, D662, F464, S317, S790, D663	Q741, W794, T793, T792, D663, D662, V411, F412, R736, C708, R728, W745, M454, S790, G465, F464, K466, S317, A410, Q350, G409, G742, R791, K456, A406, N416, N416	POLG_DEN1B-1_88884325.pdb POLG_DEN1B-2_88884325.pdb POLG_DEN1B-3_88884325.pdb POLG_DEN1W-1_88884325.pdb POLG_DEN1W-2_88884325.pdb POLG_DEN1W-3_88884325.pdb
46907417	-11.0	-9.7	-11.6	-10.9	-9.7	-11.6	-10.8±0.9	N609, T793, S317, S317	I796, S795, W794, T793, T792, M760, D662, L733, E732, A410, V411, F412, R736, R728, K466, S317, V413, E458, Q741, W745, R791, K459, S790, K456, A407, A406, G409, T605	POLG_DEN1B-1_46907417.pdb POLG_DEN1B-2_46907417.pdb POLG_DEN1B-3_46907417.pdb POLG_DEN1W-1_46907417.pdb POLG_DEN1W-2_46907417.pdb POLG_DEN1W-3_46907417.pdb
6057065	-10.3	-9.7	-12.5	-9.7	-9.7	-12.5	-10.7±1.4	R728, R457, Q741, W745, S315, S315	Q741, S795, W794, T793, S709, K459, M760, V413, H710, L733, F412, R736, R457, R728, T792, W745, S790, K466, E415, A410, G409, I408, E458, G742, S318, S315, T345, N416, V411, K456, I796	POLG_DEN1B-1_6057065.pdb POLG_DEN1B-2_6057065.pdb POLG_DEN1B-3_6057065.pdb POLG_DEN1W-1_6057065.pdb POLG_DEN1W-2_6057065.pdb POLG_DEN1W-3_6057065.pdb
9804722	-10.6	-10.0	-11.8	-10.2	-10.0	-11.8	-10.7±0.9	E732, S709, S318, I340, A341, M342, A407, N416, S795, D662	I796, S795, T793, T792, M760, L733, E732, A410, F412, R736, R728, S709, Q741, S318, V413, W794, I340, A341, M342, Q350, V411, G742, W745, S790, T343, L461, K456, A407, N416, G409, D662, Y765, H710	POLG_DEN1B-1_9804722.pdb POLG_DEN1B-2_9804722.pdb POLG_DEN1B-3_9804722.pdb POLG_DEN1W-1_9804722.pdb POLG_DEN1W-2_9804722.pdb POLG_DEN1W-3_9804722.pdb
27864297	-10.2	-10.3	-11.7	-10.2	-10.3	-11.7	-10.7±0.8	S709, R728, T343, G742, S318, A410, R736	Q741, S795, W794, T793, S709, K459, R457, F412, R736, V739, R728, P347, S318, M336, G462, D344, T346, E732, I340, M342, T343, G349, E458, G742, W745, R791, A410, V411, G409, G409	POLG_DEN1B-1_27864297.pdb POLG_DEN1B-2_27864297.pdb POLG_DEN1B-3_27864297.pdb POLG_DEN1W-1_27864297.pdb POLG_DEN1W-2_27864297.pdb POLG_DEN1W-3_27864297.pdb
51035546	-10.3	-10.3	-11.6	-10.2	-10.3	-11.7	-10.7±0.7	N609, R728, Y765, G465, K466, S317, Q350, T343, G349, S315, S315	T605, I796, S795, T793, S600, M760, D662, H710, S709, L733, A410, R736, L511, Y765, R728, D538, K459, G465, F464, K466, S317, G462, D344, V353, Q350, T343, V413, G349, Q741, K456, W794, W745, R791, S790, S315, R457, A407, A406, N416, V411, G409, I408, I408	POLG_DEN1B-1_51035546.pdb POLG_DEN1B-2_51035546.pdb POLG_DEN1B-3_51035546.pdb POLG_DEN1W-1_51035546.pdb POLG_DEN1W-2_51035546.pdb POLG_DEN1W-3_51035546.pdb
90834946	-9.8	-10.5	-11.9	-9.8	-10.5	-11.9	-10.7±1.0	R457, R736, Q741, G742, S318, K456, K456	I796, S795, W794, T793, R736, R457, A410, V411, F412, V413, Q741, S790, S313, Q350, K466, S317, E415, N416, G409, I408, E458, G742, W745, K459, S315, K456, S318, S318	POLG_DEN1B-1_90834946.pdb POLG_DEN1B-2_90834946.pdb POLG_DEN1B-3_90834946.pdb POLG_DEN1W-1_90834946.pdb POLG_DEN1W-2_90834946.pdb POLG_DEN1W-3_90834946.pdb
91982228	-10.5	-10.4	-11.6	-10.5	-9.8	-11.6	-10.7±0.7	W794, T793, S709, Y765, F412, T792, D344, G465, K466, S317, M342, E458, S790, K456, A407, R736, S313, Q741, W745	S795, W794, T793, S709, M760, D663, D662, Y765, L733, A410, V411, F412, R736, C708, R728, Q350, G465, F464, K466, S317, D344, E415, M342, T343, V413, Q741, S315, W745, S790, L461, G742, K456, R457, A407, A406, S318, V739, G409, T792, A743, M454, A316, R352, N416	POLG_DEN1B-1_91982228.pdb POLG_DEN1B-2_91982228.pdb POLG_DEN1B-3_91982228.pdb POLG_DEN1W-1_91982228.pdb POLG_DEN1W-2_91982228.pdb POLG_DEN1W-3_91982228.pdb

Ligand name	POLG_DEN2J, ΔG (kcal/mol)			POLG_DEN2N, ΔG (kcal/mol)			POLG_DEN2P, ΔG (kcal/mol)			POLG_DEN26, ΔG (kcal/mol)			POLG_DEN27, ΔG (kcal/mol)			POLG_DEN28, ΔG (kcal/mol)			Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
Ligand name	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
22867347	-11.7	-11.8	-9.8	-11.7	-11.5	-9.7	-11.7	-9.8	-11.7	-11.8	-11.5	-9.8	-11.8	-11.5	-9.5	-11.7	-11.7	-9.7	-11.0±1.0	Q741, S709, R736, W794, S790, G462, F464, G742, A410, I411, C708, C708, K466, Q350	Q741, S795, W794, T793, T792, T413, M454, G455, K456, R457, E415, I411, F412, R736, C708, S709, E458, K459, G742, R791, T343, S315, S790, T345, S318, A410, A406, G409, W745, F464, G462, K417, Q350, L408, L461, M319, N416, G465, T313, T313, K466	POLG_DEN2J-1_22867347.pdb POLG_DEN2J-2_22867347.pdb POLG_DEN2J-3_22867347.pdb POLG_DEN2N-1_22867347.pdb POLG_DEN2N-2_22867347.pdb POLG_DEN2N-3_22867347.pdb POLG_DEN2P-1_22867347.pdb POLG_DEN2P-2_22867347.pdb POLG_DEN2P-3_22867347.pdb POLG_DEN26-1_22867347.pdb POLG_DEN26-2_22867347.pdb POLG_DEN26-3_22867347.pdb POLG_DEN27-1_22867347.pdb POLG_DEN27-2_22867347.pdb POLG_DEN27-3_22867347.pdb POLG_DEN28-1_22867347.pdb POLG_DEN28-2_22867347.pdb POLG_DEN28-3_22867347.pdb
53834657	-11.5	-11.5	-10.3	-11.4	-11.5	-10.0	-11.5	-10.2	-11.5	-11.5	-11.5	-10.0	-11.6	-11.5	-10.0	-11.5	-11.5	-9.9	-11.0±0.7	S318, T793, R736, K466, A410, S790, S790, T343	Q741, S795, S318, T793, K459, M760, R736, R457, E415, I411, T413, I796, R728, E458, G742, W794, T792, R791, S790, T343, S315, A407, A406, T345, Y757, G409, K456, G465, F464, K466, M454, G314, T313, S317, A410, Q350, I739, E463, L408, L408, V353, G462, D344, M340, M342, G349	POLG_DEN2J-1_53834657.pdb POLG_DEN2J-2_53834657.pdb POLG_DEN2J-3_53834657.pdb POLG_DEN2N-1_53834657.pdb POLG_DEN2N-2_53834657.pdb POLG_DEN2N-3_53834657.pdb POLG_DEN2P-1_53834657.pdb POLG_DEN2P-2_53834657.pdb POLG_DEN2P-3_53834657.pdb POLG_DEN26-1_53834657.pdb POLG_DEN26-2_53834657.pdb POLG_DEN26-3_53834657.pdb POLG_DEN27-1_53834657.pdb POLG_DEN27-2_53834657.pdb POLG_DEN27-3_53834657.pdb POLG_DEN28-1_53834657.pdb POLG_DEN28-2_53834657.pdb POLG_DEN28-3_53834657.pdb
86608192	-11.2	-12.3	-10.0	-10.7	-12.3	-9.7	-11.0	-9.7	-12.3	-11.1	-12.3	-9.4	-11.0	-12.3	-10.0	-11.0	-12.3	-9.6	-11.0±1.1	R457, E458, E458, S317, S317	Q741, S795, W794, T793, R736, M454, K456, R457, E415, I411, F412, T413, E458, G742, W745, T345, L461, S317, M319, S315, S318, A410, K459, Q350, T343, E463, G462, D344, P347, M340, M342, V353, F348, G349, T792, Y765, R728, S709, S790, K466, R352, G455, G455, F464	POLG_DEN2J-1_86608192.pdb POLG_DEN2J-2_86608192.pdb POLG_DEN2J-3_86608192.pdb POLG_DEN2N-1_86608192.pdb POLG_DEN2N-2_86608192.pdb POLG_DEN2N-3_86608192.pdb POLG_DEN2P-1_86608192.pdb POLG_DEN2P-2_86608192.pdb POLG_DEN2P-3_86608192.pdb POLG_DEN26-1_86608192.pdb POLG_DEN26-2_86608192.pdb POLG_DEN26-3_86608192.pdb POLG_DEN27-1_86608192.pdb POLG_DEN27-2_86608192.pdb POLG_DEN27-3_86608192.pdb POLG_DEN28-1_86608192.pdb POLG_DEN28-2_86608192.pdb POLG_DEN28-3_86608192.pdb
58550574	-11.3	-11.5	-10.3	-11.4	-11.4	-10.2	-11.4	-10.3	-11.5	-10.9	-11.5	-10.2	-11.5	-11.5	-10.2	-11.4	-11.5	-10.2	-11.0±0.6	Y451, T413, S318, R791, D344, T313, K456, M454, T793, T793, M342	S795, W794, T793, S600, M453, T413, M454, K456, R457, K357, E415, I411, F412, R736, Q741, G742, S318, W745, R791, S790, T343, L461, A407, N416, G409, G465, F464, S317, G462, D344, M340, M342, Q350, I739, K466, T313, T789, A406, K419, Y451, N452, G455, A410, E458, C708, R728, S709, I453, E463, G349	POLG_DEN2J-1_58550574.pdb POLG_DEN2J-2_58550574.pdb POLG_DEN2J-3_58550574.pdb POLG_DEN2N-1_58550574.pdb POLG_DEN2N-2_58550574.pdb POLG_DEN2N-3_58550574.pdb POLG_DEN2P-1_58550574.pdb POLG_DEN2P-2_58550574.pdb POLG_DEN2P-3_58550574.pdb POLG_DEN26-1_58550574.pdb POLG_DEN26-2_58550574.pdb POLG_DEN26-3_58550574.pdb POLG_DEN27-1_58550574.pdb POLG_DEN27-2_58550574.pdb POLG_DEN27-3_58550574.pdb POLG_DEN28-1_58550574.pdb POLG_DEN28-2_58550574.pdb POLG_DEN28-3_58550574.pdb
87254969	-11.3	-10.4	-10.3	-11.3	-10.4	-10.3	-12.8	-10.3	-10.4	-12.8	-10.4	-10.3	-12.8	-10.5	-10.3	-12.8	-10.4	-10.3	-11.0±1.0	S795, R728, Y765, R736, R736, Y451, R457, R457, K466, W794	I796, S795, T793, M760, D662, A798, L733, I411, R736, L511, W802, Y765, R728, Q741, G742, W794, Y757, W745, R791, S790, T413, A407, T792, N416, A410, I739, G409, L408, K459, S318, E463, G462, D344, V353, T343, G349, G349, S600, Y451, M454, K456, R457, F412, G601, G601, G465, F464, K466, S317, T313	POLG_DEN2J-1_87254969.pdb POLG_DEN2J-2_87254969.pdb POLG_DEN2J-3_87254969.pdb POLG_DEN2N-1_87254969.pdb POLG_DEN2N-2_87254969.pdb POLG_DEN2N-3_87254969.pdb POLG_DEN2P-1_87254969.pdb POLG_DEN2P-2_87254969.pdb POLG_DEN2P-3_87254969.pdb POLG_DEN26-1_87254969.pdb POLG_DEN26-2_87254969.pdb POLG_DEN26-3_87254969.pdb POLG_DEN27-1_87254969.pdb POLG_DEN27-2_87254969.pdb POLG_DEN27-3_87254969.pdb POLG_DEN28-1_87254969.pdb POLG_DEN28-2_87254969.pdb POLG_DEN28-3_87254969.pdb
91982228	-12.0	-11.6	-10.0	-12.1	-11.6	-10.2	-11.1	-9.8	-11.6	-11.1	-11.6	-10.2	-11.1	-11.6	-9.9	-11.1	-11.6	-9.9	-11.0±0.8	E415, R736, T793, R457, Q741, S318, Y757, S315, A407, N416, L408, D344, G349, S709, S709, R728, I411, Q350, T413, T792	H797, I796, S795, T793, T792, Y765, Q741, M760, R736, D663, L511, K456, R457, E415, L733, I411, T413, I739, C708, H710, R728, E458, S315, S318, Y757, W745, K459, T343, L461, G742, A407, N416, A743, G409, L408, W794, S709, Q350, E463, G462, D344, V353, M342, G349, F412, S600, D662, D662, G601, S790, A410, R352, Q351	POLG_DEN2J-1_91982228.pdb POLG_DEN2J-2_91982228.pdb POLG_DEN2J-3_91982228.pdb POLG_DEN2N-1_91982228.pdb POLG_DEN2N-2_91982228.pdb POLG_DEN2N-3_91982228.pdb POLG_DEN2P-1_91982228.pdb POLG_DEN2P-2_91982228.pdb POLG_DEN2P-3_91982228.pdb POLG_DEN26-1_91982228.pdb POLG_DEN26-2_91982228.pdb POLG_DEN26-3_91982228.pdb POLG_DEN27-1_91982228.pdb POLG_DEN27-2_91982228.pdb POLG_DEN27-3_91982228.pdb POLG_DEN28-1_91982228.pdb POLG_DEN28-2_91982228.pdb POLG_DEN28-3_91982228.pdb
58117326	-11.9	-10.9	-9.7	-12.3	-10.9	-9.9	-12.4	-9.8	-10.9	-12.4	-10.9	-9.8	-12.3	-10.9	-9.8	-12.4	-10.9	-9.9	-11.0±1.0	R457, S318, S317, S317, T413, T413	Q741, W794, G601, Y451, N452, T413, M454, K456, R457, E415, I411, F412, R736, R481, W477, G742, W745, R791, S790, L461, A407, T345, N416, A410, T343, G409, K459, S318, F464, K466, S317, E463, G462, D344, G349, S600, S600	POLG_DEN2J-1_58117326.pdb POLG_DEN2J-2_58117326.pdb POLG_DEN2J-3_58117326.pdb POLG_DEN2N-1_58117326.pdb POLG_DEN2N-2_58117326.pdb POLG_DEN2N-3_58117326.pdb POLG_DEN2P-1_58117326.pdb POLG_DEN2P-2_58117326.pdb POLG_DEN2P-3_58117326.pdb POLG_DEN26-1_58117326.pdb POLG_DEN26-2_58117326.pdb POLG_DEN26-3_58117326.pdb POLG_DEN27-1_58117326.pdb POLG_DEN27-2_58117326.pdb POLG_DEN27-3_58117326.pdb POLG_DEN28-1_58117326.pdb POLG_DEN28-2_58117326.pdb POLG_DEN28-3_58117326.pdb
86592137	-11.2	-10.4	-10.3	-11.3	-10.4	-10.3	-12.8	-10.3	-10.4	-12.8	-10.4	-10.3	-12.8	-10.4	-10.3	-12.7	-10.4	-10.3	-11.0±1.0	S795, R728, Y765, R736, Q741, Y451, R457, R457, S317	I796, S795, T793, M760, D662, A798, L733, I411, R736, L511, W802, Y765, R728, Q741, G742, W794, Y757, W745, R791, S790, T413, A407, T792, N416, A410, I739, G409, L408, K459, S318, E463, G462, D344, V353, T343, G349, G349, S600, Y451, M454, K456, R457, F412, G601, G601, K466, S317, R352	POLG_DEN2J-1_86592137.pdb POLG_DEN2J-2_86592137.pdb POLG_DEN2J-3_86592137.pdb POLG_DEN2N-1_86592137.pdb POLG_DEN2N-2_86592137.pdb POLG_DEN2N-3_86592137.pdb POLG_DEN2P-1_86592137.pdb POLG_DEN2P-2_86592137.pdb POLG_DEN2P-3_86592137.pdb POLG_DEN26-1_86592137.pdb POLG_DEN26-2_86592137.pdb POLG_DEN26-3_86592137.pdb POLG_DEN27-1_86592137.pdb POLG_DEN27-2_86592137.pdb POLG_DEN27-3_86592137.pdb POLG_DEN28-1_86592137.pdb POLG_DEN28-2_86592137.pdb POLG_DEN28-3_86592137.pdb
46228828	-10.9	-11.9	-10.0	-11.0	-11.9	-10.1	-11.0	-10.1	-11.9	-11.0	-11.9	-10.1	-11.0	-11.9	-10.1	-11.0	-11.9	-10.1	-11.0±0.8	S318, T793, E458, S315, T413, D344, M340, M342, R736, R736	Q741, S318, T793, T413, K456, R457, E415, E732, R736, I739, R728, E458, K459, G742, W794, T792, S315, N416, Y757, W745, D344, T346, M340, M342, T343, F348, G349, G349	POLG_DEN2J-1_46228828.pdb POLG_DEN2J-2_46228828.pdb POLG_DEN2J-3_46228828.pdb POLG_DEN2N-1_46228828.pdb POLG_DEN2N-2_46228828.pdb POLG_DEN2N-3_46228828.pdb POLG_DEN2P-1_46228828.pdb POLG_DEN2P-2_46228828.pdb POLG_DEN2P-3_46228828.pdb POLG_DEN26-1_46228828.pdb POLG_DEN26-2_46228828.pdb POLG_DEN26-3_46228828.pdb POLG_DEN27-1_46228828.pdb POLG_DEN27-2_46228828.pdb POLG_DEN27-3_46228828.pdb POLG_DEN28-1_46228828.pdb POLG_DEN28-2_46228828.pdb POLG_DEN28-3_46228828.pdb
57590479	-11.5	-11.7	-9.9	-11.5	-11.7	-9.9	-11.2	-10.2	-11.7	-11.1	-11.7	-9.9	-11.2	-11.7	-10.2	-11.2	-11.7	-9.8	-11.0±0.8	Q741, S795, T793, E458, S318, T413, A410, R736, G465, Q350, T313, W794, K466, K466	Q741, S795, Y606, C708, S709, I796, H710, R736, D663, R457, E415, W794, I411, T413, I739, T793, S660, E458, G742, W745, L461, K456, N416, S318, A410, F412, Q350, F464, K466, M454, E463, G462, D344, M342, T343, G349, G349, G455, T313, S317, S600, T792, H797, M760, Y765, R728, R791, S790, G465, K417, L408	POLG_DEN2J-1_57590479.pdb POLG_DEN2J-2_57590479.pdb POLG_DEN2J-3_57590479.pdb POLG_DEN2N-1_57590479.pdb POLG_DEN2N-2_57590479.pdb POLG_DEN2N-3_57590479.pdb POLG_DEN2P-1_57590479.pdb POLG_DEN2P-2_57590479.pdb POLG_DEN2P-3_57590479.pdb POLG_DEN26-1_57590479.pdb POLG_DEN26-2_57590479.pdb POLG_DEN26-3_57590479.pdb POLG_DEN27-1_57590479.pdb POLG_DEN27-2_57590479.pdb POLG_DEN27-3_57590479.pdb POLG_DEN28-1_57590479.pdb POLG_DEN28-2_57590479.pdb POLG_DEN28-3_57590479.pdb
24818217	-11.6	-12.4	-10.1	-11.6	-12.4	-10.1	-9.9	-10.1	-12.4	-9.9	-12.4	-10.1	-9.9	-12.4	-10.1	-9.8	-12.4	-10.1	-11.0±1.1	Y451, S315, G465, G465	G601, S600, Y451, N452, M454, G455, K456, R457, D414, W477, F412, T413, I411, E458, Q741, S315, W794, Y757, T792, K459, L461, G742, A410, R736, W745, G465, F464, K466, T793, T793	POLG_DEN2J-1_24818217.pdb POLG_DEN2J-2_24818217.pdb POLG_DEN2J-3_24818217.pdb POLG_DEN2N-1_24818217.pdb POLG_DEN2N-2_24818217.pdb POLG_DEN2N-3_24818217.pdb POLG_DEN2P-1_24818217.pdb POLG_DEN2P-2_24818217.pdb POLG_DEN2P-3_24818217.pdb POLG_DEN26-1_24818217.pdb POLG_DEN26-2_24818217.pdb POLG_DEN26-3_24818217.pdb POLG_DEN27-1_24818217.pdb POLG_DEN27-2_24818217.pdb POLG_DEN27-3_24818217.pdb POLG_DEN28-1_24818217.pdb POLG_DEN28-2_24818217.pdb POLG_DEN28-3_24818217.pdb
58716236	-11.6	-11.9	-10.0	-11.6	-11.9	-10.1	-11.1	-10.0	-11.9	-10.9	-11.8	-9.6	-10.8	-11.8	-10.0	-10.9	-11.9	-9.9	-11.0±0.9	T793, W794, N609, D662, S709, E458, S318, R791, S315, I411, T313, A743, A410, R352, S790, S790, M454, R457, S600, Y451, G465, F464, K466	I796, S795, Y606, C708, S709, Q741, D663, T413, N609, D662, G661, S660, E415, W794, I411, R736, I739, T793, R457, E458, G742, R791, S790, T343, K456, N416, S318, A410, S315, G409, T313, K466, S317, R352, L408, L408, K459, M453, Y451, M454, F412, G465, T792, D414, S600, K417, I453, G455, F464	POLG_DEN2J-1_58716236.pdb POLG_DEN2J-2_58716236.pdb POLG_DEN2J-3_58716236.pdb POLG_DEN2N-1_58716236.pdb POLG_DEN2N-2_58716236.pdb POLG_DEN2N-3_58716236.pdb POLG_DEN2P-1_58716236.pdb POLG_DEN2P-2_58716236.pdb POLG_DEN2P-3_58716236.pdb POLG_DEN26-1_58716236.pdb POLG_DEN26-2_58716236.pdb POLG_DEN26-3_58716236.pdb POLG_DEN27-1_58716236.pdb POLG_DEN27-2_58716236.pdb POLG_DEN27-3_58716236.pdb POLG_DEN28-1_58716236.pdb POLG_DEN28-2_58716236.pdb POLG_DEN28-3_58716236.pdb
53019023	-12.6	-11.2	-9.4	-12.6	-11.2	-8.8	-12.6	-9.4	-10.9	-12.6	-11.2	-9.4	-12.6	-11.2	-9.4	-12.6	-11.2	-8.8	-11.0±1.4	Q741, T413, T793, R728, R736, D344, A743, T343, T345, S318, A410, S315	R457, Q741, S795, W794, T793, M760, T413, H710, E415, A410, I411, F412, R736, L511, Y765, R728, I739, E458, G742, R791, L461, K456, S318, G409, F464, T343, M454, E463, G462, D344, P347, V353, Q350, M340, G349, G465, K466, S317, G314, R352, Q312, T313, S315, T345, N416	POLG_DEN2J-1_53019023.pdb POLG_DEN2J-2_53019023.pdb POLG_DEN2J-3_53019023.pdb POLG_DEN2N-1_53019023.pdb POLG_DEN2N-2_53019023.pdb POLG_DEN2N-3_53019023.pdb POLG_DEN2P-1_53019023.pdb POLG_DEN2P-2_53019023.pdb POLG_DEN2P-3_53019023.pdb POLG_DEN26-1_53019023.pdb POLG_DEN26-2_53019023.pdb POLG_DEN26-3_53019023.pdb POLG_DEN27-1_53019023.pdb POLG_DEN27-2_53019023.pdb POLG_DEN27-3_53019023.pdb POLG_DEN28-1_53019023.pdb POLG_DEN28-2_53019023.pdb POLG_DEN28-3_53019023.pdb
99173129	-11.0	-12.0	-9.7	-11.2	-12.1	-9.8	-11.2	-9.7	-12.0	-11.2	-12.0	-9.9	-11.2	-12.0	-9.6	-11.2	-12.0	-9.9	-11.0±1.0	E415, I411, Q741, S318, S315, W794, A410, S790, L408, R457, R457	Q741, S795, W794, T792, T413, M454, K456, R457, E415, A410, I411, F412, R736, I739, E458, S318, W745, R791, S790, S315, K459, G409, T793, G455, G455, K466	POLG_DEN2J-1_99173129.pdb POLG_DEN2J-2_99173129.pdb POLG_DEN2J-3_99173129.pdb POLG_DEN2N-1_99173129.pdb POLG_DEN2N-2_99173129.pdb POLG_DEN2N-3_99173129.pdb POLG_DEN2P-1_99173129.pdb POLG_DEN2P-2_99173129.pdb POLG_DEN2P-3_99173129.pdb POLG_DEN26-1_99173129.pdb POLG_DEN26-2_99173129.pdb POLG_DEN26-3_99173129.pdb POLG_DEN27-1_99173129.pdb POLG_DEN27-2_99173129.pdb POLG_DEN27-3_99173129.pdb POLG_DEN28-1_99173129.pdb POLG_DEN28-2_99173129.pdb POLG_DEN28-3_99173129.pdb
16749692	-11.9	-11.5	-10.5	-12.0	-11.5	-10.6	-9.9	-10.5	-11.3	-11.5	-11.5	-10.4	-9.9	-11.3	-10.5	-10.9	-11.3	-10.6	-11.0±0.6	Y451, T793, T792, E458, K456, K466, T313, S709, R736, S318, S315, W794, M454	Q741, W794, T793, T792, M453, Y451, R736, M454, K456, R457, E415, I411, F412, T413, S600, W745, A407, A406, N416, G409, L408, T313, F464, G465, Q350, K466, E458, S317, S795, S709, K459, S318, I739, C708, A410, S315, S790, L461, T343, G601, N452, I453, G455, I796, R728	POLG_DEN2J-1_16749692.pdb POLG_DEN2J-2_16749692.pdb POLG_DEN2J-3_16749692.pdb POLG_DEN2N-1_16749692.pdb POLG_DEN2N-2_16749692.pdb POLG_DEN2N-3_16749692.pdb POLG_DEN2P-1_16749692.pdb POLG_DEN2P-2_16749692.pdb POLG_DEN2P-3_16749692.pdb POLG_DEN26-1_16749692.pdb POLG_DEN26-2_16749692.pdb POLG_DEN26-3_16749692.pdb POLG_DEN27-1_16749692.pdb POLG_DEN27-2_16749692.pdb POLG_DEN27-3_16749692.pdb POLG_DEN28-1_16749692.pdb POLG_DEN28-2_16749692.pdb POLG_DEN28-3_16749692.pdb
53019026	-12.5	-11.4	-9.0	-12.5	-11.4	-9.1	-12.5	-8.9	-11.4	-12.5	-11.4	-9.1	-12.5	-11.4	-9.1	-12.5	-11.4	-9.0	-11.0±1.5	R728, R736, A410, A410, T313, T313	Q741, G742, S318, T793, M760, T413, R457, E415, L733, W794, A410, I411, F412, R736, I739, R728, E458, Y757, W745, R791, S790, S315, N416, K459, G409, T792, G465, F464, K466, G314, K417, R352, T313, T313	POLG_DEN2J-1_53019026.pdb POLG_DEN2J-2_53019026.pdb POLG_DEN2J-3_53019026.pdb POLG_DEN2N-1_53019026.pdb POLG_DEN2N-2_53019026.pdb POLG_DEN2N-3_53019026.pdb POLG_DEN2P-1_53019026.pdb POLG_DEN2P-2_53019026.pdb POLG_DEN2P-3_53019026.pdb POLG_DEN26-1_53019026.pdb POLG_DEN26-2_53019026.pdb POLG_DEN26-3_53019026.pdb POLG_DEN27-1_53019026.pdb POLG_DEN27-2_53019026.pdb POLG_DEN27-3_53019026.pdb POLG_DEN28-1_53019026.pdb POLG_DEN28-2_53019026.pdb POLG_DEN28-3_53019026.pdb
10163912	-10.8	-12.2	-10.3	-10.8	-12.1	-9.4	-10.8	-10.3	-12.2	-10.8	-12.1	-9.8	-10.6	-12.2	-10.3	-10.5	-12.1	-10.3	-11.0±0.9	T793, S795, W794, C708, I411, N416, A410, T413, Q741, G742, S318, K459, S317, T343, T343, Q350, T792	S795, W794, C708, S709, R736, K456, I411, F412, T413, T793, T792, Q741, G742, W745, L461, A407, N416, S318, A410, T343, G409, K459, F464, S317, E463, G462, D344, V353, M340, G349, Q350, K466, M454, R352, R352, M760, R457, E415, Y765, H710, R728, R728	POLG_DEN2J-1_10163912.pdb POLG_DEN2J-2_10163912.pdb POLG_DEN2J-3_10163912.pdb POLG_DEN2N-1_10163912.pdb POLG_DEN2N-2_10163912.pdb POLG_DEN2N-3_10163912.pdb POLG_DEN2P-1_10163912.pdb POLG_DEN2P-2_10163912.pdb POLG_DEN2P-3_10163912.pdb POLG_DEN26-1_10163912.pdb POLG_DEN26-2_10163912.pdb POLG_DEN26-3_10163912.pdb POLG_DEN27-1_10163912.pdb POLG_DEN27-2_10163912.pdb POLG_DEN27-3_10163912.pdb POLG_DEN28-1_10163912.pdb POLG_DEN28-2_10163912.pdb POLG_DEN28-3_10163912.pdb
53019135	-12.5	-11.6	-9.4	-12.4	-11.6	-8.6	-12.4	-8.6	-11.6	-12.4	-11.6	-9.4	-12.4	-11.6	-8.7	-12.4	-11.7	-8.7	-11.0±1.6	Q741, R736, T793, R728, T413, D344, T313, T313	Q741, G742, W794, T793, Y765, M760, T413, L511, S795, R457, E415, A410, I411, F412, R736, I739, H710, R728, E458, K459, T792, S790, S315, N416, G409, W745, S318, F464, Q350, E463, G462, D344, P347, M340, T343, G349, G465, K466, G314, R352, T313, T313	POLG_DEN2J-1_53019135.pdb POLG_DEN2J-2_53019135.pdb POLG_DEN2J-3_53019135.pdb POLG_DEN2N-1_53019135.pdb POLG_DEN2N-2_53019135.pdb POLG_DEN2N-3_53019135.pdb POLG_DEN2P-1_53019135.pdb POLG_DEN2P-2_53019135.pdb POLG_DEN2P-3_53019135.pdb POLG_DEN26-1_53019135.pdb POLG_DEN26-2_53019135.pdb POLG_DEN26-3_53019135.pdb POLG_DEN27-1_53019135.pdb POLG_DEN27-2_53019135.pdb POLG_DEN27-3_53019135.pdb POLG_DEN28-1_53019135.pdb POLG_DEN28-2_53019135.pdb POLG_DEN28-3_53019135.pdb
11503697	-12.2	-11.1	-9.9	-12.2	-11.1	-9.7	-12.2	-9.7	-11.1	-12.2	-11.0	-9.6	-12.2	-11.0	-9.8	-12.2	-11.1	-9.2	-11.0±1.1	E415, Y451, T792, I411, T413, S318, G462, G462	Q741, S318, G601, S600, K459, M453, Y451, N452, R736, M454, K456, R457, E415, F412, T413, I739, E458, M319, T793, T792, W794, G742, S315, T345, N416, A743, A410, I411, Y757, G465, F464, K466, E463, G462, D344, P347, V353, T343, M340, G349, M342, M342, I453, I453, Q350	POLG_DEN2J-1_11503697.pdb POLG_DEN2J-2_11503697.pdb POLG_DEN2J-3_11503697.pdb POLG_DEN2N-1_11503697.pdb POLG_DEN2N-2_11503697.pdb POLG_DEN2N-3_11503697.pdb POLG_DEN2P-1_11503697.pdb POLG_DEN2P-2_11503697.pdb POLG_DEN2P-3_11503697.pdb POLG_DEN26-1_11503697.pdb POLG_DEN26-2_11503697.pdb POLG_DEN26-3_11503697.pdb POLG_DEN27-1_11503697.pdb POLG_DEN27-2_11503697.pdb POLG_DEN27-3_11503697.pdb POLG_DEN28-1_11503697.pdb POLG_DEN28-2_11503697.pdb POLG_DEN28-3_11503697.pdb
58117469	-12.0	-11.0	-9.9	-12.0	-11.0	-9.9	-12.0	-9.7	-11.0	-12.0	-11.0	-10.0	-12.0	-11.0	-10.0	-12.1	-11.0	-9.9	-11.0±0.9	W794, W794, R736	Q741, T413, M454, K456, R457, D414, E415, W477, F412, R736, E458, G742, S318, W745, R791, A406, L461, S790, A407, T345, N416, W794, A410, T343, T343, G462, D344, V353, I411, Q350, G349, G349, T346, F348	POLG_DEN2J-1_58117469.pdb POLG_DEN2J-2_58117469.pdb POLG_DEN2J-3_58117469.pdb POLG_DEN2N-1_58117469.pdb POLG_DEN2N-2_58117469.pdb POLG_DEN2N-3_58117469.pdb POLG_DEN2P-1_58117469.pdb POLG_DEN2P-2_58117469.pdb POLG_DEN2P-3_58117469.pdb POLG_DEN26-1_58117469.pdb POLG_DEN26-2_58117469.pdb POLG_DEN26-3_58117469.pdb POLG_DEN27-1_58117469.pdb POLG_DEN27-2_58117469.pdb POLG_DEN27-3_58117469.pdb POLG_DEN28-1_58117469.pdb POLG_DEN28-2_58117469.pdb POLG_DEN28-3_58117469.pdb
67017052	-10.4	-12.5	-10.2	-9.8	-12.5	-10.2	-10.5	-10.2	-12.5	-10.4	-12.5	-10.2	-10.4	-12.5	-10.2	-9.8	-12.5	-10.2	-11.0±1.1	S709, R728, W794, K456, D344, M342, T343, T343, Q741	Q741, S795, W794, T793, T792, M760, T413, R457, L733, E732, R736, R728, S709, E458, G742, W745, S790, K456, N416, S318, I411, I739, G409, Q350, V353, E463, G462, D344, T346, P347, M340, M342, T343, G349, I796, I796, K459	POLG_DEN2J-1_67017052.pdb POLG_DEN2J-2_67017052.pdb POLG_DEN2J-3_67017052.pdb POLG_DEN2N-1_67017052.pdb POLG_DEN2N-2_67017052.pdb POLG_DEN2N-3_67017052.pdb POLG_DEN2P-1_67017052.pdb POLG_DEN2P-2_67017052.pdb POLG_DEN2P-3_67017052.pdb POLG_DEN26-1_67017052.pdb POLG_DEN26-2_67017052.pdb POLG_DEN26-3_67017052.pdb POLG_DEN27-1_67017052.pdb POLG_DEN27-2_67017052.pdb POLG_DEN27-3_67017052.pdb POLG_DEN28-1_67017052.pdb POLG_DEN28-2_67017052.pdb POLG_DEN28-3_67017052.pdb
83275648	-12.2	-11.6	-9.1	-12.2	-11.6	-9.1	-12.2	-9.2	-11.6	-12.1	-11.6	-9.2	-12.1	-11.6	-9.2	-12.2	-11.6	-9.1	-11.0±1.3	T413, T793, R728, R736, T343, Q350, Q350, Q741	R457, K459, S795, W794, T793, Q741, M760, T413, G742, H710, E415, A410, I411, F412, R736, L511, Y765, R728, E458, Y757, W745, S790, S315, N416, G409, T792, F464, T343, S317, E463, G462, D344, P347, V353, Q350, M340, G349, G349, L733, E732	POLG_DEN2J-1_83275648.pdb POLG_DEN2J-2_83275648.pdb POLG_DEN2J-3_83275648.pdb POLG_DEN2N-1_83275648.pdb POLG_DEN2N-2_83275648.pdb POLG_DEN2N-3_83275648.pdb POLG_DEN2P-1_83275648.pdb POLG_DEN2P-2_83275648.pdb POLG_DEN2P-3_83275648.pdb POLG_DEN26-1_83275648.pdb POLG_DEN26-2_83275648.pdb POLG_DEN26-3_83275648.pdb POLG_DEN27-1_83275648.pdb POLG_DEN27-2_83275648.pdb POLG_DEN27-3_83275648.pdb POLG_DEN28-1_83275648.pdb POLG_DEN28-2_83275648.pdb POLG_DEN28-3_83275648.pdb
21598341	-10.2	-12.4	-10.3	-10.2	-12.4	-10.3	-10.2	-10.3	-12.4	-10.2	-12.4	-10.3	-10.2	-12.4	-10.3	-10.2	-12.4	-10.3	-11.0±1.0	I411, I411, Q741	I796, S795, W794, T793, S600, Q741, T413, K456, R457, E415, A410, I411, R736, D538, E458, K459, T792, R791, S790, S315, A406, S318, I739, W745, T313, K466, K417, R352, R352, L408, L408	POLG_DEN2J-1_21598341.pdb POLG_DEN2J-2_21598341.pdb POLG_DEN2J-3_21598341.pdb POLG_DEN2N-1_21598341.pdb POLG_DEN2N-2_21598341.pdb POLG_DEN2N-3_21598341.pdb POLG_DEN2P-1_21598341.pdb POLG_DEN2P-2_21598341.pdb POLG_DEN2P-3_21598341.pdb POLG_DEN26-1_21598341.pdb POLG_DEN26-2_21598341.pdb POLG_DEN26-3_21598341.pdb POLG_DEN27-1_21598341.pdb POLG_DEN27-2_21598341.pdb POLG_DEN27-3_21598341.pdb POLG_DEN28-1_21598341.pdb POLG_DEN28-2_21598341.pdb POLG_DEN28-3_21598341.pdb
44419986	-11.3	-12.0	-9.9	-11.3	-12.0	-9.9	-11.0	-9.9	-12.0	-11.1	-12.0	-9.8	-11.1	-12.0	-9.8	-11.2	-11.3	-9.8	-11.0±0.9	S709, T793, D662, S660, N416, S318, A410, W794, W794	Q741, S795, S318, C708, S709, I796, R736, D663, D662, G661, R457, E415, W794, I411, T413, I739, T793, S660, Y606, G742, W745, S790, E749, A407, N416, A410, T343, K419, G409, G601, S600, R352, F412, F412, K459, Y451, M454, K456, I453, I453, M453, E458, L461, T345, A406	POLG_DEN2J-1_44419986.pdb POLG_DEN2J-2_44419986.pdb POLG_DEN2J-3_44419986.pdb POLG_DEN2N-1_44419986.pdb POLG_DEN2N-2_44419986.pdb POLG_DEN2N-3_44419986.pdb POLG_DEN2P-1_44419986.pdb POLG_DEN2P-2_44419986.pdb POLG_DEN2P-3_44419986.pdb POLG_DEN26-1_44419986.pdb POLG_DEN26-2_44419986.pdb POLG_DEN26-3_44419986.pdb POLG_DEN27-1_44419986.pdb POLG_DEN27-2_44419986.pdb POLG_DEN27-3_44419986.pdb POLG_DEN28-1_44419986.pdb POLG_DEN28-2_44419986.pdb POLG_DEN28-3_44419986.pdb
58518208	-11.3	-11.2	-10.4	-11.3	-11.2	-10.4	-11.3	-10.4	-11.2	-11.3	-11.2	-10.4	-11.3	-11.2	-10.4	-11.3	-11.2	-10.4	-11.0±0.4	T793, I411, F464, F464, S317, G349, G462	T793, S709, M454, G455, K456, I411, F412, T413, S600, Q741, G742, W794, W745, R791, S790, A406, N416, A410, F464, K466, G409, G409, K459, S317, E463, G462, D344, P347, V353, R352, T343, G349	POLG_DEN2J-1_58518208.pdb POLG_DEN2J-2_58518208.pdb POLG_DEN2J-3_58518208.pdb POLG_DEN2N-1_58518208.pdb POLG_DEN2N-2_58518208.pdb POLG_DEN2N-3_58518208.pdb POLG_DEN2P-1_58518208.pdb POLG_DEN2P-2_58518208.pdb POLG_DEN2P-3_58518208.pdb POLG_DEN26-1_58518208.pdb POLG_DEN26-2_58518208.pdb POLG_DEN26-3_58518208.pdb POLG_DEN27-1_58518208.pdb POLG_DEN27-2_58518208.pdb POLG_DEN27-3_58518208.pdb POLG_DEN28-1_58518208.pdb POLG_DEN28-2_58518208.pdb POLG_DEN28-3_58518208.pdb

Ligand name	POLG_DEN3I, ΔG (kcal/mol)			Q6DLV0_9FLAV, ΔG (kcal/mol)			Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
Ligand name	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
34299253	-11.0	-10.3	-9.5	-9.8	-9.4	-10.2	-10.0±0.6
35604287	-10.4	-10.2	-9.6	-9.4	-9.0	-11.6	-10.0±0.9
53019095	-10.4	-8.9	-10.6	-9.5	-9.4	-11.4	-10.0±0.9
52874673	-10.1	-10.0	-9.7	-8.9	-9.6	-11.8	-10.0±1.0
57948698	-9.3	-11.2	-8.9	-8.8	-9.2	-12.7	-10.0±1.6
22556722	-10.2	-9.7	-10.2	-9.9	-9.4	-10.7	-10.0±0.5
22909360	-10.4	-10.3	-9.9	-10.2	-8.8	-10.5	-10.0±0.6
43023451	-10.3	-9.6	-9.6	-9.4	-9.5	-11.7	-10.0±0.9
58711792	-9.7	-10.0	-10.2	-10.2	-8.6	-11.4	-10.0±0.9
45852926	-10.5	-10.4	-9.6	-9.2	-8.7	-11.6	-10.0±1.0
55490607	-10.4	-9.8	-9.6	-9.5	-8.8	-11.9	-10.0±1.1
58716236	-9.8	-9.9	-9.5	-9.9	-9.3	-11.6	-10.0±0.8
6197109	-10.4	-10.7	-9.4	-9.5	-8.7	-11.3	-10.0±1.0
10367537	-10.4	-10.2	-9.7	-9.7	-9.1	-10.9	-10.0±0.6
22443366	-10.2	-10.2	-9.6	-9.6	-9.0	-11.4	-10.0±0.8
87254912	-10.3	-10.1	-10.0	-9.5	-9.1	-11.0	-10.0±0.7
44159652	-10.8	-10.1	-9.5	-10.2	-8.5	-10.9	-10.0±0.9
4710384	-10.1	-10.6	-9.7	-9.7	-8.7	-11.1	-10.0±0.8
11525541	-10.3	-10.4	-9.8	-9.1	-9.2	-11.1	-10.0±0.8
60118140	-9.7	-10.8	-9.4	-9.4	-9.1	-11.5	-10.0±0.9
60118236	-11.0	-9.9	-9.7	-9.7	-8.8	-10.8	-10.0±0.8
68701918	-10.5	-10.3	-9.4	-9.8	-8.9	-11.0	-10.0±0.8
91464736	-10.0	-10.7	-9.7	-9.7	-9.5	-10.3	-10.0±0.4
2408779	-10.4	-9.5	-10.1	-9.9	-9.2	-10.7	-10.0±0.6
11656223	-9.8	-9.8	-9.9	-10.1	-8.6	-11.6	-10.0±1.0

Ligand name	POLG_DEN4D, ΔG (kcal/mol)			POLG_DEN4P, ΔG (kcal/mol)			POLG_DEN4T, ΔG (kcal/mol)			Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
Ligand name	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Model-1	Model-2	Model-3	Mean±S.D. (Kcal/mol)	H-bonds interacting residues	VdW interacting residues	Ligand docked to receptor structure
50848762	-12.0	-11.7	-10.0	-11.0	-12.0	-10.1	-11.0	-11.7	-12.0	-11.3±0.8	S710, R729, S318, T343, E458, Q742, Q742	S796, W795, T794, C709, M454, M761, Y766, G455, A799, S710, E414, K456, H711, F412, L511, R457, R729, I740, A744, R792, A406, F464, Q742, S315, A407, E415, T345, T343, W418, K459, S318, M319, L461, K460, R737, E458, Q416, G409, I408, I408	POLG_DEN4D-1_50848762.pdb POLG_DEN4D-2_50848762.pdb POLG_DEN4D-3_50848762.pdb POLG_DEN4P-1_50848762.pdb POLG_DEN4P-2_50848762.pdb POLG_DEN4P-3_50848762.pdb POLG_DEN4T-1_50848762.pdb POLG_DEN4T-2_50848762.pdb POLG_DEN4T-3_50848762.pdb
53019046	-11.7	-11.7	-9.7	-11.6	-11.8	-9.7	-11.6	-11.7	-12.0	-11.3±0.9	T794, Q413, Q742, E458, S318, R737, Q416, Q416	S796, T794, F412, K459, K456, R457, E414, E415, A410, V411, R737, Q413, S710, W795, R792, F464, Q742, A407, L340, W418, I740, S741, S318, M319, K460, D344, T345, M342, T343, E458, G743, Q416, G409, G409	POLG_DEN4D-1_53019046.pdb POLG_DEN4D-2_53019046.pdb POLG_DEN4D-3_53019046.pdb POLG_DEN4P-1_53019046.pdb POLG_DEN4P-2_53019046.pdb POLG_DEN4P-3_53019046.pdb POLG_DEN4T-1_53019046.pdb POLG_DEN4T-2_53019046.pdb POLG_DEN4T-3_53019046.pdb
58518208	-12.1	-13.4	-8.8	-10.3	-12.1	-8.7	-10.3	-13.5	-12.3	-11.3±1.8	S796, T794, S318, T345, T345	I797, S796, Q742, T794, F412, K459, S710, E414, E415, R737, Q413, E458, R729, S741, W795, S318, F464, R457, A407, T345, T343, W418, H711, L340, G743, G455, K456, G314, Q416, I740, K460, C709, V411	POLG_DEN4D-1_58518208.pdb POLG_DEN4D-2_58518208.pdb POLG_DEN4D-3_58518208.pdb POLG_DEN4P-1_58518208.pdb POLG_DEN4P-2_58518208.pdb POLG_DEN4P-3_58518208.pdb POLG_DEN4T-1_58518208.pdb POLG_DEN4T-2_58518208.pdb POLG_DEN4T-3_58518208.pdb
89856935	-11.7	-13.0	-9.6	-10.5	-11.7	-9.9	-10.5	-13.0	-11.5	-11.3±1.2	E458, T794, R457, R729, Q742, S318, R737, R737	E458, S796, T794, F412, M761, Y766, G455, H711, S710, E414, A410, K456, R737, L511, R457, V411, R729, W795, T345, S791, T790, F464, Q742, G462, A407, E415, G417, A406, W418, G409, I740, S741, M319, K460, S318, T343, G601, S600, M453, Q350, V358, I408, E733, L340, L734, R792, Q602, Q416, I797, C709, K459, N609, D663, G662, Y606, T605, H798	POLG_DEN4D-1_89856935.pdb POLG_DEN4D-2_89856935.pdb POLG_DEN4D-3_89856935.pdb POLG_DEN4P-1_89856935.pdb POLG_DEN4P-2_89856935.pdb POLG_DEN4P-3_89856935.pdb POLG_DEN4T-1_89856935.pdb POLG_DEN4T-2_89856935.pdb POLG_DEN4T-3_89856935.pdb
10239163	-11.6	-11.7	-9.4	-11.9	-11.2	-9.5	-12.0	-11.8	-12.3	-11.3±1.1	W795, T794, R737, Q742, S318, K460, S741, Q416, T343, E415, R457	K459, W795, T794, G455, S600, M454, Q742, K456, R457, E414, E415, K357, R737, Q413, F412, S318, R792, K460, F464, E463, G462, A407, T343, W418, I740, E458, E733, L340, L734, R729, S741, G743, M319, Q416, G409, I408, S796, T793, M761, Y766, L511, Y606, D663, N609, A410, V411, D538	POLG_DEN4D-1_10239163.pdb POLG_DEN4D-2_10239163.pdb POLG_DEN4D-3_10239163.pdb POLG_DEN4P-1_10239163.pdb POLG_DEN4P-2_10239163.pdb POLG_DEN4P-3_10239163.pdb POLG_DEN4T-1_10239163.pdb POLG_DEN4T-2_10239163.pdb POLG_DEN4T-3_10239163.pdb
22556722	-12.0	-12.3	-9.0	-11.5	-11.9	-8.9	-11.5	-12.3	-12.0	-11.3±1.3	E415, A410, Q742, E458, S318, S741, S741	E458, S796, W795, T794, K459, M454, G455, K456, S710, E414, E415, A410, F412, Q413, R457, F464, Q742, L340, R737, W418, I740, S318, K460, T345, T343, S741, G743, S317, Q416, V411, G409, S315, S315	POLG_DEN4D-1_22556722.pdb POLG_DEN4D-2_22556722.pdb POLG_DEN4D-3_22556722.pdb POLG_DEN4P-1_22556722.pdb POLG_DEN4P-2_22556722.pdb POLG_DEN4P-3_22556722.pdb POLG_DEN4T-1_22556722.pdb POLG_DEN4T-2_22556722.pdb POLG_DEN4T-3_22556722.pdb
58187960	-11.0	-12.1	-10.0	-11.7	-11.0	-10.6	-11.7	-12.1	-11.2	-11.3±0.7	M454, F412, R457, Q742, K459, R737, K456, S318, T343	I740, S796, W795, T794, G455, F412, K459, M454, Q742, K456, R457, E414, A410, K357, R737, R792, S791, A406, F464, L461, G462, A407, E415, G417, K460, W418, T419, E458, S741, S318, M319, Q416, H801, G409, I408, S600, Y451, T343, A799, I797, Y606, D663, V411	POLG_DEN4D-1_58187960.pdb POLG_DEN4D-2_58187960.pdb POLG_DEN4D-3_58187960.pdb POLG_DEN4P-1_58187960.pdb POLG_DEN4P-2_58187960.pdb POLG_DEN4P-3_58187960.pdb POLG_DEN4T-1_58187960.pdb POLG_DEN4T-2_58187960.pdb POLG_DEN4T-3_58187960.pdb
71016043	-10.8	-12.0	-10.4	-11.6	-10.9	-10.4	-11.7	-12.0	-11.5	-11.3±0.6	S318, R737, Q742, Y758, T343	I740, S796, W795, T794, K459, M761, Y766, Q742, A799, S710, E414, E415, S318, H711, R737, Q413, L511, T343, R457, R729, T793, R792, L754, F464, Y758, G462, A407, G417, W418, G409, E458, L461, K460, F412, I797, Q416, S741, K456, A406, L340, H801, I408, C709, Y606, N609, D663, A410, V411, D538	POLG_DEN4D-1_71016043.pdb POLG_DEN4D-2_71016043.pdb POLG_DEN4D-3_71016043.pdb POLG_DEN4P-1_71016043.pdb POLG_DEN4P-2_71016043.pdb POLG_DEN4P-3_71016043.pdb POLG_DEN4T-1_71016043.pdb POLG_DEN4T-2_71016043.pdb POLG_DEN4T-3_71016043.pdb
58117308	-11.9	-11.4	-10.6	-11.1	-11.8	-10.5	-11.0	-11.6	-11.4	-11.3±0.5	T794, R737, Q742, S315, R792, R792	S796, W795, T794, K459, M761, Y766, H711, R457, E414, E415, L734, R737, L511, R729, S741, A744, T313, F464, Q742, S315, G314, Q416, Q413, W418, E458, S318, R792, M319, K460, A407, T345, T343, F412, N452, M453, M454, K456, G409, S600, S600, T793, Y758, G455, E733, A410	POLG_DEN4D-1_58117308.pdb POLG_DEN4D-2_58117308.pdb POLG_DEN4D-3_58117308.pdb POLG_DEN4P-1_58117308.pdb POLG_DEN4P-2_58117308.pdb POLG_DEN4P-3_58117308.pdb POLG_DEN4T-1_58117308.pdb POLG_DEN4T-2_58117308.pdb POLG_DEN4T-3_58117308.pdb
59121600	-11.4	-12.0	-9.9	-11.6	-11.4	-10.0	-11.6	-12.0	-11.4	-11.3±0.8	E415, E458, R737, T343, T343	I797, S796, F412, K459, G455, K456, S710, E414, E415, R737, R457, E458, S741, W795, T345, F464, Q742, T343, W418, S318, K460, S315, D344, G601, R792, N452, A407, I408, S600, G409, M454	POLG_DEN4D-1_59121600.pdb POLG_DEN4D-2_59121600.pdb POLG_DEN4D-3_59121600.pdb POLG_DEN4P-1_59121600.pdb POLG_DEN4P-2_59121600.pdb POLG_DEN4P-3_59121600.pdb POLG_DEN4T-1_59121600.pdb POLG_DEN4T-2_59121600.pdb POLG_DEN4T-3_59121600.pdb
6524590	-11.8	-12.4	-9.4	-10.7	-11.9	-9.7	-10.9	-12.4	-12.0	-11.2±1.1	R737, R729, T345, Q742, T343, E458, Q416, Q416	S796, W795, T794, T793, E415, K459, M454, Q742, K456, S710, E414, G455, R737, R457, F412, R729, S318, R792, T345, F464, L461, G462, K460, T343, W418, I740, S741, M319, E458, G743, Y758, Q416, G409, S315	POLG_DEN4D-1_6524590.pdb POLG_DEN4D-2_6524590.pdb POLG_DEN4D-3_6524590.pdb POLG_DEN4P-1_6524590.pdb POLG_DEN4P-2_6524590.pdb POLG_DEN4P-3_6524590.pdb POLG_DEN4T-1_6524590.pdb POLG_DEN4T-2_6524590.pdb POLG_DEN4T-3_6524590.pdb
55797299	-11.6	-12.0	-10.0	-11.2	-11.6	-10.0	-11.2	-12.0	-11.6	-11.2±0.8	R729, Q742, S315, L461, T345, T345	I740, K459, W795, T794, G455, F412, Q742, K456, R457, E414, E733, L734, R737, R729, S317, S318, R792, F464, L461, S315, G462, E415, Q416, G417, K460, W418, E458, M319, T345, G409, T793	POLG_DEN4D-1_55797299.pdb POLG_DEN4D-2_55797299.pdb POLG_DEN4D-3_55797299.pdb POLG_DEN4P-1_55797299.pdb POLG_DEN4P-2_55797299.pdb POLG_DEN4P-3_55797299.pdb POLG_DEN4T-1_55797299.pdb POLG_DEN4T-2_55797299.pdb POLG_DEN4T-3_55797299.pdb
11525541	-11.0	-12.7	-9.4	-11.6	-10.9	-9.7	-11.6	-12.8	-11.5	-11.2±1.2	E458, E414, Y766, F412, Q742, Y758, T793, R792, T345, S315, T343, S318, S317, T794	E458, S796, T794, F412, M454, M761, Y766, G455, K456, R457, E414, L734, R737, L511, R729, I740, W795, S318, T793, R792, K460, L754, F464, Y758, L461, Q742, G462, W418, S741, T343, S317, S315, T345, V353, Q350, Q416, G409, I408, L340, I797, G662, S710, Y606, V411	POLG_DEN4D-1_11525541.pdb POLG_DEN4D-2_11525541.pdb POLG_DEN4D-3_11525541.pdb POLG_DEN4P-1_11525541.pdb POLG_DEN4P-2_11525541.pdb POLG_DEN4P-3_11525541.pdb POLG_DEN4T-1_11525541.pdb POLG_DEN4T-2_11525541.pdb POLG_DEN4T-3_11525541.pdb
76810150	-12.3	-13.1	-8.7	-10.2	-12.3	-8.9	-10.0	-13.1	-12.6	-11.2±1.8	Q742, S741, T345, S796	I797, S796, Q742, T794, C709, K459, S710, E414, E415, R737, Q413, F412, E458, R729, W795, S318, F464, R457, A407, T345, K460, T343, W418, H711, L340, I740, S741, G743, K456, G314, Q416, M761, G455, V411	POLG_DEN4D-1_76810150.pdb POLG_DEN4D-2_76810150.pdb POLG_DEN4D-3_76810150.pdb POLG_DEN4P-1_76810150.pdb POLG_DEN4P-2_76810150.pdb POLG_DEN4P-3_76810150.pdb POLG_DEN4T-1_76810150.pdb POLG_DEN4T-2_76810150.pdb POLG_DEN4T-3_76810150.pdb
56085441	-12.3	-11.5	-9.7	-11.1	-12.1	-9.8	-11.1	-11.8	-11.7	-11.2±0.9	T794, F412, A406, W418, Q742, T345, M319, S318, R737	E458, S796, W795, T794, V411, M454, M761, Y766, G455, H711, R457, E414, L511, A410, K456, F412, W803, R729, E750, S791, A406, F464, Q742, A407, E415, G743, G417, W418, K459, R792, L461, K460, G409, I740, S741, S318, M319, T345, T313, S315, Q416, G314, T793, W762, Y758, E733, L340, L734, R737, T343, G462, T419	POLG_DEN4D-1_56085441.pdb POLG_DEN4D-2_56085441.pdb POLG_DEN4D-3_56085441.pdb POLG_DEN4P-1_56085441.pdb POLG_DEN4P-2_56085441.pdb POLG_DEN4P-3_56085441.pdb POLG_DEN4T-1_56085441.pdb POLG_DEN4T-2_56085441.pdb POLG_DEN4T-3_56085441.pdb
68698259	-11.3	-12.5	-9.6	-11.4	-11.4	-9.6	-11.4	-12.4	-11.4	-11.2±1.0	E458, G455, E415, S315, S318, T345, K456, T343	E458, W795, T794, T793, F412, M454, M761, Y766, G455, K456, R457, E414, E415, L734, R737, R729, S741, S318, A744, M319, F464, L461, Q742, S315, G462, Q416, K460, W418, K459, R792, A407, N405, T343, S317, T345, G409, I408, I408, S796, C709, S710	POLG_DEN4D-1_68698259.pdb POLG_DEN4D-2_68698259.pdb POLG_DEN4D-3_68698259.pdb POLG_DEN4P-1_68698259.pdb POLG_DEN4P-2_68698259.pdb POLG_DEN4P-3_68698259.pdb POLG_DEN4T-1_68698259.pdb POLG_DEN4T-2_68698259.pdb POLG_DEN4T-3_68698259.pdb
99173125	-11.4	-11.8	-10.0	-11.3	-11.4	-10.0	-11.4	-11.8	-11.9	-11.2±0.7	A410, F412, Q413, Q742, T343, R457, T345, S318, S315, R737, K456, K456	S796, W795, G455, F412, K459, Q742, K456, R457, A410, R737, Q413, R792, A406, F464, T345, L461, G462, E415, Q416, T343, W418, I740, S741, S318, M319, S317, S315, K460, D344, L340, E458, S791, G409, E414, I797, T794, M454, V411	POLG_DEN4D-1_99173125.pdb POLG_DEN4D-2_99173125.pdb POLG_DEN4D-3_99173125.pdb POLG_DEN4P-1_99173125.pdb POLG_DEN4P-2_99173125.pdb POLG_DEN4P-3_99173125.pdb POLG_DEN4T-1_99173125.pdb POLG_DEN4T-2_99173125.pdb POLG_DEN4T-3_99173125.pdb
11999813	-10.3	-12.4	-10.3	-11.6	-10.8	-10.3	-11.6	-12.4	-11.3	-11.2±0.9	Q742, S318, M454, E458, E414, S710	E458, K459, W795, G455, F412, Q742, K456, R457, E414, E415, R737, S318, A744, R792, M319, A406, F464, S317, S315, A407, W418, L461, K460, G601, N452, M453, M454, I408, G409, S600, S796, S710, R729, I797, D663, A410, V411, Q413, D538	POLG_DEN4D-1_11999813.pdb POLG_DEN4D-2_11999813.pdb POLG_DEN4D-3_11999813.pdb POLG_DEN4P-1_11999813.pdb POLG_DEN4P-2_11999813.pdb POLG_DEN4P-3_11999813.pdb POLG_DEN4T-1_11999813.pdb POLG_DEN4T-2_11999813.pdb POLG_DEN4T-3_11999813.pdb
25138230	-10.6	-12.6	-10.7	-11.0	-10.7	-10.6	-11.0	-12.5	-11.3	-11.2±0.8	S710, R729, S741, M319, S318, S315, T345, L461, R737, M454, K456, R457, R457	K459, W795, T794, T793, F412, E415, Q742, K456, S710, E414, G455, R737, R457, R729, S741, S318, A744, R792, M319, F464, S317, S315, G314, A407, Q416, W418, E458, L461, K460, T343, G409, G601, N452, M453, M454, A406, I408, I408, I797, Y606, D663, N609, G662, W537, V411, D538	POLG_DEN4D-1_25138230.pdb POLG_DEN4D-2_25138230.pdb POLG_DEN4D-3_25138230.pdb POLG_DEN4P-1_25138230.pdb POLG_DEN4P-2_25138230.pdb POLG_DEN4P-3_25138230.pdb POLG_DEN4T-1_25138230.pdb POLG_DEN4T-2_25138230.pdb POLG_DEN4T-3_25138230.pdb
53098094	-11.6	-11.3	-10.7	-11.2	-11.6	-10.7	-11.1	-11.3	-11.5	-11.2±0.3	W795, T794, D344, S318, R737, Q416, T343	R457, S796, W795, T794, F412, M761, Y766, G455, H711, M765, E414, L511, K456, R737, W803, S710, R729, R792, T345, F464, Q742, S315, A407, E415, W418, T419, I740, K459, S318, T343, K460, D344, V353, Q350, E458, T313, V411, G314, G409, L461, S741, Q416	POLG_DEN4D-1_53098094.pdb POLG_DEN4D-2_53098094.pdb POLG_DEN4D-3_53098094.pdb POLG_DEN4P-1_53098094.pdb POLG_DEN4P-2_53098094.pdb POLG_DEN4P-3_53098094.pdb POLG_DEN4T-1_53098094.pdb POLG_DEN4T-2_53098094.pdb POLG_DEN4T-3_53098094.pdb
59875861	-12.0	-12.2	-9.2	-10.3	-12.0	-10.8	-10.3	-12.2	-12.0	-11.2±1.1	W795, R737, T345, S315, S796, S710, R729, M454, Q742, L461, M319	E458, S796, W795, T794, T793, K459, Y758, M761, Y766, Q742, H711, R457, E414, E415, L734, R737, L511, R729, I740, S318, A744, M319, F464, S317, G455, S315, G462, A407, T345, T343, W418, C709, S710, L340, R792, N452, M453, M454, K456, Q416, A410, V411, G409, S600, S741, L461, K460, F412, I408	POLG_DEN4D-1_59875861.pdb POLG_DEN4D-2_59875861.pdb POLG_DEN4D-3_59875861.pdb POLG_DEN4P-1_59875861.pdb POLG_DEN4P-2_59875861.pdb POLG_DEN4P-3_59875861.pdb POLG_DEN4T-1_59875861.pdb POLG_DEN4T-2_59875861.pdb POLG_DEN4T-3_59875861.pdb
68496294	-12.2	-11.6	-9.1	-11.4	-12.1	-9.1	-11.3	-11.9	-12.3	-11.2±1.3	E415, A410, R729, D344, Q742, Q742, Q416, Q416	E458, K459, W795, T794, F412, M454, G455, K456, R457, E414, E415, E733, A410, R737, Q413, R729, I740, S318, T793, F464, Y758, Q742, T343, W418, K460, D344, T345, L340, S741, Q416, Q416, L461	POLG_DEN4D-1_68496294.pdb POLG_DEN4D-2_68496294.pdb POLG_DEN4D-3_68496294.pdb POLG_DEN4P-1_68496294.pdb POLG_DEN4P-2_68496294.pdb POLG_DEN4P-3_68496294.pdb POLG_DEN4T-1_68496294.pdb POLG_DEN4T-2_68496294.pdb POLG_DEN4T-3_68496294.pdb
60205770	-11.2	-12.5	-9.9	-11.4	-11.2	-9.9	-11.4	-12.5	-10.9	-11.2±0.9	E458, Y451, M454, E415, A407, T343, R792, R457, L461, Q416, Y758, Y758	E458, K459, W795, T794, T793, F412, Y451, M453, M454, G455, K456, R457, E414, R737, T345, S791, A406, F464, Q742, A407, E415, G417, W418, G409, R792, L461, K460, T343, I740, Y758, Q416, I408, I408, I797, S796, Y606, C709, N609, D663, A410, V411, T605, D538	POLG_DEN4D-1_60205770.pdb POLG_DEN4D-2_60205770.pdb POLG_DEN4D-3_60205770.pdb POLG_DEN4P-1_60205770.pdb POLG_DEN4P-2_60205770.pdb POLG_DEN4P-3_60205770.pdb POLG_DEN4T-1_60205770.pdb POLG_DEN4T-2_60205770.pdb POLG_DEN4T-3_60205770.pdb
21114517	-10.5	-12.2	-10.9	-11.4	-10.6	-10.9	-11.4	-12.2	-10.8	-11.2±0.6	E414, A410, M454, F412, T345, R792, S741, W795, S318, Q742, M319, K456, R737	S796, W795, T794, T793, Y451, M453, M454, G455, K456, R457, E414, F412, S710, A744, R792, S791, A406, F464, T345, Q742, S315, G314, A407, E415, Q416, G417, W418, T419, G409, K459, S318, M319, L461, K460, S741, G743, V411, I408, M761, Y766, H711, L511, R737, W803, R729, I797, D663, I740, A410, D538	POLG_DEN4D-1_21114517.pdb POLG_DEN4D-2_21114517.pdb POLG_DEN4D-3_21114517.pdb POLG_DEN4P-1_21114517.pdb POLG_DEN4P-2_21114517.pdb POLG_DEN4P-3_21114517.pdb POLG_DEN4T-1_21114517.pdb POLG_DEN4T-2_21114517.pdb POLG_DEN4T-3_21114517.pdb
25065362	-11.3	-12.5	-9.6	-11.4	-11.3	-9.6	-11.4	-12.4	-11.4	-11.2±1.0	E458, G455, E415, S315, N405, S318, T345, K456, K456	E458, K459, W795, T794, T793, F412, M454, M761, Y766, G455, K456, R457, E414, E415, L734, R737, R729, S741, S318, A744, M319, F464, L461, Q742, S315, G462, Q416, K460, W418, R792, A407, N405, T343, S317, T345, G409, I408, I408	POLG_DEN4D-1_25065362.pdb POLG_DEN4D-2_25065362.pdb POLG_DEN4D-3_25065362.pdb POLG_DEN4P-1_25065362.pdb POLG_DEN4P-2_25065362.pdb POLG_DEN4P-3_25065362.pdb POLG_DEN4T-1_25065362.pdb POLG_DEN4T-2_25065362.pdb POLG_DEN4T-3_25065362.pdb

NS5 RdRp versus Dengue library

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Free Energy Variation ΔG
H-bonds interacting residues
VdW interacting residues