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
10138861	-10.6	-9.7	-11.3	-10.6	-9.8	-11.3	-10.6±0.7	T793, R736, Q741, W794, W794	R457, I796, S795, W794, T793, S709, M760, Y765, A410, F412, R736, L511, H710, R728, Q741, W745, S790, S313, K466, S317, E415, N416, V413, G409, E458, G742, S318, K456, A407, S315, K459, K459	POLG_DEN1B-1_10138861.pdb POLG_DEN1B-2_10138861.pdb POLG_DEN1B-3_10138861.pdb POLG_DEN1W-1_10138861.pdb POLG_DEN1W-2_10138861.pdb POLG_DEN1W-3_10138861.pdb
18654353	-10.4	-10.0	-11.2	-10.5	-10.0	-11.2	-10.6±0.5	T793, S795, A410, Q741, T343, T343	S795, W794, T793, S709, R457, A410, V411, F412, R736, R728, K459, Q741, T343, S317, G462, D344, V353, I340, G349, E458, S318, W745, K456, T345, N416, V739, G409, G409	POLG_DEN1B-1_18654353.pdb POLG_DEN1B-2_18654353.pdb POLG_DEN1B-3_18654353.pdb POLG_DEN1W-1_18654353.pdb POLG_DEN1W-2_18654353.pdb POLG_DEN1W-3_18654353.pdb
19006877	-10.4	-10.0	-11.2	-10.5	-10.0	-11.2	-10.6±0.5	T793, S795, A410, Q741, T343, T343	S795, W794, T793, S709, R457, A410, V411, F412, R736, R728, K459, Q741, T343, S317, G462, D344, V353, I340, G349, E458, S318, W745, K456, T345, N416, V739, G409, G409	POLG_DEN1B-1_19006877.pdb POLG_DEN1B-2_19006877.pdb POLG_DEN1B-3_19006877.pdb POLG_DEN1W-1_19006877.pdb POLG_DEN1W-2_19006877.pdb POLG_DEN1W-3_19006877.pdb
20765361	-10.1	-9.7	-11.8	-10.1	-9.8	-11.8	-10.6±1.0	T793, S709, V413, Q417, W794, S790, T345, S318, S315, S313, K466, S317	S795, W794, T793, S709, D663, R457, A410, V411, F412, V413, Q741, W745, R791, S790, S313, K466, S317, Q417, K456, S318, R736, S315, T345, N416, T343, G409, E415, G465	POLG_DEN1B-1_20765361.pdb POLG_DEN1B-2_20765361.pdb POLG_DEN1B-3_20765361.pdb POLG_DEN1W-1_20765361.pdb POLG_DEN1W-2_20765361.pdb POLG_DEN1W-3_20765361.pdb
56088600	-10.8	-9.6	-11.2	-10.8	-9.7	-11.2	-10.6±0.7	W794, T793, K466, S317, K456, K456	Q741, S795, W794, T793, T792, K459, M760, R736, R457, L733, E732, F412, V413, R728, S709, S318, Q350, G465, F464, K466, S317, E463, G462, D344, E415, V353, M342, I340, G349, E458, W745, K456, A407, N416, A406, G409, I408, I408	POLG_DEN1B-1_56088600.pdb POLG_DEN1B-2_56088600.pdb POLG_DEN1B-3_56088600.pdb POLG_DEN1W-1_56088600.pdb POLG_DEN1W-2_56088600.pdb POLG_DEN1W-3_56088600.pdb
75237511	-9.3	-9.7	-12.0	-10.6	-9.7	-12.0	-10.6±1.2	T793, S709, S317, Q350, T345, S318, Q741	I796, S795, C708, S709, Q741, H710, F412, R736, T793, R457, R728, W794, G465, F464, V413, S317, E415, A410, R352, Q350, K466, E458, G742, S318, W745, L461, T343, M319, S315, K456, N416, V411, K459, G409, M760, L511, Y765	POLG_DEN1B-1_75237511.pdb POLG_DEN1B-2_75237511.pdb POLG_DEN1B-3_75237511.pdb POLG_DEN1W-1_75237511.pdb POLG_DEN1W-2_75237511.pdb POLG_DEN1W-3_75237511.pdb
88038204	-10.6	-9.7	-11.3	-10.6	-9.8	-11.3	-10.6±0.7	T793, G465, F464, Q350, K466, T343, N416, S318, R736, R736	K459, S795, W794, T793, Q741, H710, R457, L511, L733, F412, R736, V739, Y757, Y765, M760, R728, K466, F464, T343, M454, G462, D344, S317, S318, V353, R352, Q350, V413, G349, S740, G742, W745, M319, S315, N416, A410, V411, G409, T792, G465	POLG_DEN1B-1_88038204.pdb POLG_DEN1B-2_88038204.pdb POLG_DEN1B-3_88038204.pdb POLG_DEN1W-1_88038204.pdb POLG_DEN1W-2_88038204.pdb POLG_DEN1W-3_88038204.pdb
46897200	-10.8	-9.7	-11.1	-10.8	-9.7	-11.1	-10.5±0.7	T793, R728, Q350, T343, S315, S315	R457, S795, W794, T793, M760, H710, L733, A410, V411, F412, R736, Y765, R728, K459, S318, Q350, F464, K466, S317, G462, D344, V353, T343, V413, G349, Q741, G742, A743, T792, R791, S315, T345, K456, Y757	POLG_DEN1B-1_46897200.pdb POLG_DEN1B-2_46897200.pdb POLG_DEN1B-3_46897200.pdb POLG_DEN1W-1_46897200.pdb POLG_DEN1W-2_46897200.pdb POLG_DEN1W-3_46897200.pdb
5330659	-10.3	-9.9	-11.4	-10.3	-9.9	-11.4	-10.5±0.7	C708, S709, R728, W745, T345, S315, S315	I796, S795, W794, T793, S709, R457, A410, F412, R736, C708, T792, Q741, W745, S790, G465, F464, K466, R352, V413, E458, K459, G742, Y757, L461, S315, T345, N416, V411, T343, K456, K456	POLG_DEN1B-1_5330659.pdb POLG_DEN1B-2_5330659.pdb POLG_DEN1B-3_5330659.pdb POLG_DEN1W-1_5330659.pdb POLG_DEN1W-2_5330659.pdb POLG_DEN1W-3_5330659.pdb
9497094	-10.1	-9.5	-12.0	-10.1	-9.5	-12.0	-10.5±1.2	W794, T793, S317, S317	K459, S795, W794, T793, Q741, K456, R457, V411, F412, R736, W745, S790, K466, S317, Q417, A410, V413, G409, E458, G742, T792, R791, L461, N416, Y757, Y757	POLG_DEN1B-1_9497094.pdb POLG_DEN1B-2_9497094.pdb POLG_DEN1B-3_9497094.pdb POLG_DEN1W-1_9497094.pdb POLG_DEN1W-2_9497094.pdb POLG_DEN1W-3_9497094.pdb
20637903	-10.2	-9.5	-11.9	-10.2	-9.6	-11.8	-10.5±1.1	G462, R736, G349	K459, S795, W794, T793, T792, Q741, M760, R457, L733, E732, F412, R736, R728, Q350, E463, G462, D344, V353, M342, T343, I340, G349, E458, W745, S790, S315, S318, V411, V739, A341	POLG_DEN1B-1_20637903.pdb POLG_DEN1B-2_20637903.pdb POLG_DEN1B-3_20637903.pdb POLG_DEN1W-1_20637903.pdb POLG_DEN1W-2_20637903.pdb POLG_DEN1W-3_20637903.pdb
20765438	-9.6	-9.9	-12.1	-9.6	-9.8	-12.2	-10.5±1.3	C708, S709, G465, E415, K466, Q350, A410, A410	I796, S795, W794, T793, S709, H710, A410, F412, R736, C708, R728, T792, K466, F464, V413, S317, E415, N416, Q350, E458, Q741, G742, W745, R791, L461, K456, V411, V411	POLG_DEN1B-1_20765438.pdb POLG_DEN1B-2_20765438.pdb POLG_DEN1B-3_20765438.pdb POLG_DEN1W-1_20765438.pdb POLG_DEN1W-2_20765438.pdb POLG_DEN1W-3_20765438.pdb
22063077	-10.0	-9.8	-11.7	-10.5	-9.6	-11.6	-10.5±0.9	W794, T793, E415, S318, S315, C708, S709, W745	Q741, S795, W794, T793, T792, R457, F412, R736, R728, G742, W745, K466, S317, E415, A410, V413, E458, L461, K456, S318, V411, V739, D663, H710, C708, S709, G409	POLG_DEN1B-1_22063077.pdb POLG_DEN1B-2_22063077.pdb POLG_DEN1B-3_22063077.pdb POLG_DEN1W-1_22063077.pdb POLG_DEN1W-2_22063077.pdb POLG_DEN1W-3_22063077.pdb
51035547	-10.0	-10.1	-11.5	-10.0	-10.1	-11.5	-10.5±0.8	R728, Y765, G465, K466, S317, Q350, T343, G349, S315, S315	T605, I796, S795, T793, S709, M760, N609, D662, H710, L733, A410, R736, L511, C708, Y765, R728, K459, G465, F464, K466, S317, G462, D344, V353, Q350, T343, V413, G349, Q741, W794, W745, R791, S790, S315, R457, A407, A406, N416, S318, V411, G409, I408, I408	POLG_DEN1B-1_51035547.pdb POLG_DEN1B-2_51035547.pdb POLG_DEN1B-3_51035547.pdb POLG_DEN1W-1_51035547.pdb POLG_DEN1W-2_51035547.pdb POLG_DEN1W-3_51035547.pdb
51346975	-10.7	-9.7	-11.2	-10.7	-9.7	-11.2	-10.5±0.7	T793, R728, K466, S317, S315, S315	R457, S795, W794, T793, M760, H710, L733, A410, V411, F412, R736, Y765, R728, G465, Q741, S318, S313, K466, S317, G462, E415, V413, V739, G742, A743, Y757, T792, R791, T343, S315, T345, K456, L511	POLG_DEN1B-1_51346975.pdb POLG_DEN1B-2_51346975.pdb POLG_DEN1B-3_51346975.pdb POLG_DEN1W-1_51346975.pdb POLG_DEN1W-2_51346975.pdb POLG_DEN1W-3_51346975.pdb
53019163	-10.7	-9.5	-11.4	-10.7	-9.5	-11.4	-10.5±0.9	T793, R728, R736, F464, S317, S317	Q741, S795, W794, T793, K459, M760, Y765, L733, A410, V411, F412, R736, V739, R728, G742, G465, F464, K466, S317, E415, Q417, R352, V413, S313, E458, T792, R791, S790, S315, N416, Y757, G409, W745, W745	POLG_DEN1B-1_53019163.pdb POLG_DEN1B-2_53019163.pdb POLG_DEN1B-3_53019163.pdb POLG_DEN1W-1_53019163.pdb POLG_DEN1W-2_53019163.pdb POLG_DEN1W-3_53019163.pdb
59069259	-11.0	-9.0	-11.6	-11.1	-9.0	-11.5	-10.5±1.2	W794, T793, S709, G465, K456, C708	I796, Q741, S795, W794, T793, S709, K459, H710, R457, F412, R736, C708, Y765, R728, M454, Q350, G465, F464, K466, S317, G462, V411, V413, E458, G742, W745, R791, S315, K456, S318, A410, Y757, T792, L461	POLG_DEN1B-1_59069259.pdb POLG_DEN1B-2_59069259.pdb POLG_DEN1B-3_59069259.pdb POLG_DEN1W-1_59069259.pdb POLG_DEN1W-2_59069259.pdb POLG_DEN1W-3_59069259.pdb
59962443	-10.3	-9.9	-11.4	-10.3	-9.9	-11.4	-10.5±0.7	R736, F412, Y765, G465, K466, S317, T345, K456, S315, Q417	T605, W794, T793, T792, M760, N609, Y765, L733, A410, V411, F412, R736, R728, D538, S313, F464, K466, S317, G465, N416, V413, Q741, W745, R791, S790, S315, K456, R457, T345, T343, G409, G742, Q417	POLG_DEN1B-1_59962443.pdb POLG_DEN1B-2_59962443.pdb POLG_DEN1B-3_59962443.pdb POLG_DEN1W-1_59962443.pdb POLG_DEN1W-2_59962443.pdb POLG_DEN1W-3_59962443.pdb
68701918	-10.4	-9.9	-11.2	-10.3	-10.0	-11.4	-10.5±0.6	K456, K466, S317, Q350, W794, V411, R736, D538, N416, S318	I796, S795, W794, T793, Q741, V413, K456, A410, F412, R736, K459, D538, G601, S600, G465, F464, Q350, S317, E415, V411, K466, E458, G742, S313, S315, M319, R457, S740, V739, G314, G409, N416, S318, W745, R791, S790, L461, A407, A406, I340, T343, N419	POLG_DEN1B-1_68701918.pdb POLG_DEN1B-2_68701918.pdb POLG_DEN1B-3_68701918.pdb POLG_DEN1W-1_68701918.pdb POLG_DEN1W-2_68701918.pdb POLG_DEN1W-3_68701918.pdb
91464736	-10.7	-9.8	-10.9	-10.7	-10.1	-11.0	-10.5±0.5	K459, E732, T793, Y757, T792, W794, A410, K456, K456	Q741, S795, W794, T793, K459, V413, R457, E732, I340, F412, R736, V739, R728, Y757, T792, M336, T345, L733, G735, G742, S315, K456, N416, A410, V411, V411	POLG_DEN1B-1_91464736.pdb POLG_DEN1B-2_91464736.pdb POLG_DEN1B-3_91464736.pdb POLG_DEN1W-1_91464736.pdb POLG_DEN1W-2_91464736.pdb POLG_DEN1W-3_91464736.pdb
56670454	-10.1	-10.2	-11.3	-10.1	-10.2	-11.3	-10.5±0.6	R728, R352, S318, S315, S315	K459, S795, W794, T793, T792, I796, M760, V413, R457, L733, E732, F412, R736, C708, R728, S709, F464, M454, G462, E415, N416, A410, R352, Q350, K466, E458, M319, Y757, Q741, S317, G742, K456, T345, S318, S315, G409, V411, V411	POLG_DEN1B-1_56670454.pdb POLG_DEN1B-2_56670454.pdb POLG_DEN1B-3_56670454.pdb POLG_DEN1W-1_56670454.pdb POLG_DEN1W-2_56670454.pdb POLG_DEN1W-3_56670454.pdb
9911274	-10.5	-9.6	-11.6	-10.4	-9.4	-11.6	-10.5±0.9	R736, R352, W794, K456, R728, S317	K459, S795, W794, T793, S709, R736, R457, E732, V411, F412, V413, R728, Q741, W745, S313, K466, S317, E415, A410, R352, G409, E458, S315, K456, A407, T345, N416, V739, Q350, M454, A316, G742, S790	POLG_DEN1B-1_9911274.pdb POLG_DEN1B-2_9911274.pdb POLG_DEN1B-3_9911274.pdb POLG_DEN1W-1_9911274.pdb POLG_DEN1W-2_9911274.pdb POLG_DEN1W-3_9911274.pdb
10162545	-10.7	-9.2	-11.9	-10.7	-8.7	-11.9	-10.5±1.3	T793, V413, E415, I408, S790, S740, Y757, N416, A410, Q741, S317	I796, S795, W794, T793, Q741, R736, R457, V411, F412, V413, D538, G742, W745, S790, K466, M454, E415, A410, R352, G409, S740, L461, N416, S318, V739, E458, T792, G465, F464, S317, Q350	POLG_DEN1B-1_10162545.pdb POLG_DEN1B-2_10162545.pdb POLG_DEN1B-3_10162545.pdb POLG_DEN1W-1_10162545.pdb POLG_DEN1W-2_10162545.pdb POLG_DEN1W-3_10162545.pdb
10300760	-10.4	-9.7	-11.5	-10.3	-9.7	-11.5	-10.5±0.8	T793, S795, C708, S317, W745, V411, V411	Q741, S795, T793, S709, K459, M760, R457, H710, F412, R736, C708, Y765, R728, W745, S313, F464, K466, M454, S317, A410, R352, Q350, E458, G742, W794, T792, T343, L461, K456, T345, N416, S318, V411, V413, G409, G409	POLG_DEN1B-1_10300760.pdb POLG_DEN1B-2_10300760.pdb POLG_DEN1B-3_10300760.pdb POLG_DEN1W-1_10300760.pdb POLG_DEN1W-2_10300760.pdb POLG_DEN1W-3_10300760.pdb
10367537	-10.0	-9.4	-12.0	-10.1	-9.6	-12.0	-10.5±1.2	S709, W745, E458, S318, W794, W794	Q741, S795, W794, T793, T792, M760, H710, F412, R736, C708, R457, R728, S709, G742, W745, K466, S317, E415, A410, V413, E458, S318, Y757, K459, L461, K456, N416, V411, G409	POLG_DEN1B-1_10367537.pdb POLG_DEN1B-2_10367537.pdb POLG_DEN1B-3_10367537.pdb POLG_DEN1W-1_10367537.pdb POLG_DEN1W-2_10367537.pdb POLG_DEN1W-3_10367537.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
99173115	-11.1	-11.7	-9.5	-11.1	-11.7	-9.5	-11.1	-9.5	-11.7	-11.1	-11.7	-9.5	-11.1	-11.7	-9.6	-11.1	-11.7	-9.5	-10.8±0.9	E415, I411, Q741, A407, N416, R791, W794, A410, S790, L408, L408, K466, S317	Q741, W794, T793, T792, T413, M454, G455, K456, R457, E415, A410, I411, F412, R736, I739, E458, R791, S790, L461, A407, A406, N416, S318, K459, G409, W745, T345, T345, G742, A743, G465, K466, S317, T313, R352	POLG_DEN2J-1_99173115.pdb POLG_DEN2J-2_99173115.pdb POLG_DEN2J-3_99173115.pdb POLG_DEN2N-1_99173115.pdb POLG_DEN2N-2_99173115.pdb POLG_DEN2N-3_99173115.pdb POLG_DEN2P-1_99173115.pdb POLG_DEN2P-2_99173115.pdb POLG_DEN2P-3_99173115.pdb POLG_DEN26-1_99173115.pdb POLG_DEN26-2_99173115.pdb POLG_DEN26-3_99173115.pdb POLG_DEN27-1_99173115.pdb POLG_DEN27-2_99173115.pdb POLG_DEN27-3_99173115.pdb POLG_DEN28-1_99173115.pdb POLG_DEN28-2_99173115.pdb POLG_DEN28-3_99173115.pdb
1205085	-11.9	-10.5	-9.8	-12.0	-10.5	-9.7	-11.9	-10.0	-10.5	-11.9	-10.5	-10.0	-11.9	-10.5	-9.8	-12.0	-10.5	-9.9	-10.8±0.9	T413, R736, N416, S318, I411, T346, T793, T793	K459, G742, S318, T793, T792, Q741, M760, T413, K456, R457, E415, I411, F412, R736, I739, R728, W745, T343, L461, S315, G314, N416, W794, M340, Q350, L733, D344, T346, E732, M342, F348, G349, G349	POLG_DEN2J-1_1205085.pdb POLG_DEN2J-2_1205085.pdb POLG_DEN2J-3_1205085.pdb POLG_DEN2N-1_1205085.pdb POLG_DEN2N-2_1205085.pdb POLG_DEN2N-3_1205085.pdb POLG_DEN2P-1_1205085.pdb POLG_DEN2P-2_1205085.pdb POLG_DEN2P-3_1205085.pdb POLG_DEN26-1_1205085.pdb POLG_DEN26-2_1205085.pdb POLG_DEN26-3_1205085.pdb POLG_DEN27-1_1205085.pdb POLG_DEN27-2_1205085.pdb POLG_DEN27-3_1205085.pdb POLG_DEN28-1_1205085.pdb POLG_DEN28-2_1205085.pdb POLG_DEN28-3_1205085.pdb
6129755	-11.5	-11.7	-9.8	-11.3	-11.7	-8.8	-11.0	-9.8	-11.7	-11.0	-11.7	-8.8	-11.3	-11.7	-9.8	-10.9	-11.7	-9.6	-10.8±1.0	E415, W794, R728, T413, S318, T343, E463, S795, S795	Q741, G742, S318, C708, S709, K459, R736, S795, R457, E415, W794, I411, F412, T413, I739, I796, H710, R728, T793, E458, T792, R791, S790, K456, N416, T343, Y757, W745, F464, Q350, V353, E463, G462, D344, P347, M340, G349, H797, H797	POLG_DEN2J-1_6129755.pdb POLG_DEN2J-2_6129755.pdb POLG_DEN2J-3_6129755.pdb POLG_DEN2N-1_6129755.pdb POLG_DEN2N-2_6129755.pdb POLG_DEN2N-3_6129755.pdb POLG_DEN2P-1_6129755.pdb POLG_DEN2P-2_6129755.pdb POLG_DEN2P-3_6129755.pdb POLG_DEN26-1_6129755.pdb POLG_DEN26-2_6129755.pdb POLG_DEN26-3_6129755.pdb POLG_DEN27-1_6129755.pdb POLG_DEN27-2_6129755.pdb POLG_DEN27-3_6129755.pdb POLG_DEN28-1_6129755.pdb POLG_DEN28-2_6129755.pdb POLG_DEN28-3_6129755.pdb
20637893	-11.5	-11.6	-9.4	-11.2	-11.6	-9.4	-11.2	-9.4	-11.7	-11.2	-11.7	-9.4	-11.2	-11.6	-9.4	-11.2	-11.7	-9.4	-10.8±1.0	S795, W794, T793, T413, R736, T343, T343, Q741, Q741	I796, S795, W794, T793, S709, Q741, R736, K456, R457, E415, F412, T413, C708, S315, G742, L461, M319, S318, A410, I411, T343, G409, K466, R352, T792, R728, R791, S790, S790, N416, L408	POLG_DEN2J-1_20637893.pdb POLG_DEN2J-2_20637893.pdb POLG_DEN2J-3_20637893.pdb POLG_DEN2N-1_20637893.pdb POLG_DEN2N-2_20637893.pdb POLG_DEN2N-3_20637893.pdb POLG_DEN2P-1_20637893.pdb POLG_DEN2P-2_20637893.pdb POLG_DEN2P-3_20637893.pdb POLG_DEN26-1_20637893.pdb POLG_DEN26-2_20637893.pdb POLG_DEN26-3_20637893.pdb POLG_DEN27-1_20637893.pdb POLG_DEN27-2_20637893.pdb POLG_DEN27-3_20637893.pdb POLG_DEN28-1_20637893.pdb POLG_DEN28-2_20637893.pdb POLG_DEN28-3_20637893.pdb
57324514	-10.7	-11.7	-10.0	-10.8	-11.7	-10.0	-10.7	-10.0	-11.7	-10.7	-11.8	-9.9	-10.7	-11.7	-10.0	-10.0	-11.7	-10.0	-10.8±0.8	W794, T793, R736, R736, R728	Q741, S795, W794, T793, T792, M760, R736, K456, R457, I411, F412, T413, R728, S709, M319, A743, S318, G742, T345, I739, T343, W745, R791, S790, Q350, E415, A410, K466, G409, L408, L408, I796, Y765, C708, H710	POLG_DEN2J-1_57324514.pdb POLG_DEN2J-2_57324514.pdb POLG_DEN2J-3_57324514.pdb POLG_DEN2N-1_57324514.pdb POLG_DEN2N-2_57324514.pdb POLG_DEN2N-3_57324514.pdb POLG_DEN2P-1_57324514.pdb POLG_DEN2P-2_57324514.pdb POLG_DEN2P-3_57324514.pdb POLG_DEN26-1_57324514.pdb POLG_DEN26-2_57324514.pdb POLG_DEN26-3_57324514.pdb POLG_DEN27-1_57324514.pdb POLG_DEN27-2_57324514.pdb POLG_DEN27-3_57324514.pdb POLG_DEN28-1_57324514.pdb POLG_DEN28-2_57324514.pdb POLG_DEN28-3_57324514.pdb
89361072	-11.7	-11.0	-10.1	-11.6	-10.9	-9.5	-11.6	-9.6	-11.0	-11.6	-10.9	-10.2	-11.6	-10.9	-9.5	-11.6	-11.0	-9.5	-10.8±0.8	S318, W794, S790, F464, G462, K466, Q350, T413, T313, G349, R736, T343	H797, I796, S795, W794, C708, S709, K459, T413, D663, S660, Q741, E415, S318, I411, R736, T343, T793, R457, E458, A406, W745, R791, S790, K456, T345, A410, S315, G409, K466, M454, G465, F464, Q350, S317, G462, D344, T313, V353, L461, G349, G455, F412, I739, T792, T792, E732, M340, F348, R728, T346, P347	POLG_DEN2J-1_89361072.pdb POLG_DEN2J-2_89361072.pdb POLG_DEN2J-3_89361072.pdb POLG_DEN2N-1_89361072.pdb POLG_DEN2N-2_89361072.pdb POLG_DEN2N-3_89361072.pdb POLG_DEN2P-1_89361072.pdb POLG_DEN2P-2_89361072.pdb POLG_DEN2P-3_89361072.pdb POLG_DEN26-1_89361072.pdb POLG_DEN26-2_89361072.pdb POLG_DEN26-3_89361072.pdb POLG_DEN27-1_89361072.pdb POLG_DEN27-2_89361072.pdb POLG_DEN27-3_89361072.pdb POLG_DEN28-1_89361072.pdb POLG_DEN28-2_89361072.pdb POLG_DEN28-3_89361072.pdb
90767884	-10.9	-12.0	-9.5	-11.0	-12.0	-9.6	-10.7	-9.7	-12.0	-10.7	-11.7	-9.5	-10.7	-12.0	-9.5	-10.7	-12.0	-9.6	-10.8±1.0	T793, W794, T313, T313, S600, R457, Q741, K466, K466, R736	H797, I796, S795, T793, S709, M760, D663, G661, A798, H710, C708, I411, R736, L511, W802, Y765, R728, E458, Q741, G742, W794, Y757, T792, K459, S315, K456, N416, W745, W745, T313, K466, A410, F412, T413, S660, S600, G455, R457, E415, G465, F464, I739, S790, T345, Q350, G462, D344, L733, V353, T343, G349	POLG_DEN2J-1_90767884.pdb POLG_DEN2J-2_90767884.pdb POLG_DEN2J-3_90767884.pdb POLG_DEN2N-1_90767884.pdb POLG_DEN2N-2_90767884.pdb POLG_DEN2N-3_90767884.pdb POLG_DEN2P-1_90767884.pdb POLG_DEN2P-2_90767884.pdb POLG_DEN2P-3_90767884.pdb POLG_DEN26-1_90767884.pdb POLG_DEN26-2_90767884.pdb POLG_DEN26-3_90767884.pdb POLG_DEN27-1_90767884.pdb POLG_DEN27-2_90767884.pdb POLG_DEN27-3_90767884.pdb POLG_DEN28-1_90767884.pdb POLG_DEN28-2_90767884.pdb POLG_DEN28-3_90767884.pdb
44454456	-10.5	-12.6	-9.9	-10.3	-12.6	-9.9	-10.2	-9.8	-12.6	-9.6	-12.6	-9.9	-10.2	-10.7	-9.8	-10.2	-12.6	-9.8	-10.8±1.2	H797, S709, S660, S318, R736, R728, Y765, Y765, T413, G742, S315	H797, I796, S795, C708, S709, D663, R736, M454, G455, K456, I411, F412, T413, S318, T793, T792, R791, T345, W745, S790, A407, S315, Q741, A406, N416, W794, T343, L408, G409, M342, Q350, D344, M340, I739, F348, G349, M760, Y765, E415, L733, L511, H710, R728, R728, D662, R457, E458, G742, K459, G314	POLG_DEN2J-1_44454456.pdb POLG_DEN2J-2_44454456.pdb POLG_DEN2J-3_44454456.pdb POLG_DEN2N-1_44454456.pdb POLG_DEN2N-2_44454456.pdb POLG_DEN2N-3_44454456.pdb POLG_DEN2P-1_44454456.pdb POLG_DEN2P-2_44454456.pdb POLG_DEN2P-3_44454456.pdb POLG_DEN26-1_44454456.pdb POLG_DEN26-2_44454456.pdb POLG_DEN26-3_44454456.pdb POLG_DEN27-1_44454456.pdb POLG_DEN27-2_44454456.pdb POLG_DEN27-3_44454456.pdb POLG_DEN28-1_44454456.pdb POLG_DEN28-2_44454456.pdb POLG_DEN28-3_44454456.pdb
22909490	-11.6	-11.0	-9.7	-11.5	-11.0	-9.8	-11.6	-9.6	-11.0	-11.5	-11.0	-9.7	-11.5	-11.0	-9.9	-11.6	-11.0	-9.7	-10.8±0.8	E415, R736, N416, T343, T343	R457, Q741, S795, S318, T793, M760, T413, Y765, E415, W794, R736, I739, H710, R728, S740, G742, W745, L461, K456, T345, N416, A410, I411, G409, E458, K459, E463, G462, D344, V353, F412, T343, G349, Q350, L733, L733, M342	POLG_DEN2J-1_22909490.pdb POLG_DEN2J-2_22909490.pdb POLG_DEN2J-3_22909490.pdb POLG_DEN2N-1_22909490.pdb POLG_DEN2N-2_22909490.pdb POLG_DEN2N-3_22909490.pdb POLG_DEN2P-1_22909490.pdb POLG_DEN2P-2_22909490.pdb POLG_DEN2P-3_22909490.pdb POLG_DEN26-1_22909490.pdb POLG_DEN26-2_22909490.pdb POLG_DEN26-3_22909490.pdb POLG_DEN27-1_22909490.pdb POLG_DEN27-2_22909490.pdb POLG_DEN27-3_22909490.pdb POLG_DEN28-1_22909490.pdb POLG_DEN28-2_22909490.pdb POLG_DEN28-3_22909490.pdb
16325675	-11.6	-11.5	-9.6	-11.2	-11.4	-9.5	-11.4	-9.6	-11.5	-11.4	-11.5	-9.6	-11.4	-11.4	-9.6	-10.4	-11.5	-9.5	-10.8±0.9	R457, W794, S318, T413, A410, S315, R736, R352, R352, T793, S709	H797, Q741, S795, W794, C708, S709, K459, T413, R457, E415, S318, R736, T793, R728, G742, W745, S790, L461, K456, A407, T345, N416, A410, I411, I739, G409, S315, F464, Q350, M454, G462, D344, V353, R352, M342, T343, M340, K466, G349, I796, G465, G465, D663, T792, M760, L733, E732	POLG_DEN2J-1_16325675.pdb POLG_DEN2J-2_16325675.pdb POLG_DEN2J-3_16325675.pdb POLG_DEN2N-1_16325675.pdb POLG_DEN2N-2_16325675.pdb POLG_DEN2N-3_16325675.pdb POLG_DEN2P-1_16325675.pdb POLG_DEN2P-2_16325675.pdb POLG_DEN2P-3_16325675.pdb POLG_DEN26-1_16325675.pdb POLG_DEN26-2_16325675.pdb POLG_DEN26-3_16325675.pdb POLG_DEN27-1_16325675.pdb POLG_DEN27-2_16325675.pdb POLG_DEN27-3_16325675.pdb POLG_DEN28-1_16325675.pdb POLG_DEN28-2_16325675.pdb POLG_DEN28-3_16325675.pdb
57386264	-11.4	-11.4	-10.2	-11.4	-11.4	-10.2	-10.3	-10.2	-11.4	-10.3	-11.4	-10.2	-10.3	-11.4	-10.2	-10.3	-11.4	-10.2	-10.8±0.6	G742, T413, T413, S709, S709	H797, I796, Y606, C708, S709, M760, T413, D663, D662, G661, S660, W794, L733, E732, I411, R736, T793, R728, T792, Q741, M319, A743, S318, S317, G742, S315, T345, K456, T343, E415, G465, F464, K466, T313, A410, A410, F412, S795, S795	POLG_DEN2J-1_57386264.pdb POLG_DEN2J-2_57386264.pdb POLG_DEN2J-3_57386264.pdb POLG_DEN2N-1_57386264.pdb POLG_DEN2N-2_57386264.pdb POLG_DEN2N-3_57386264.pdb POLG_DEN2P-1_57386264.pdb POLG_DEN2P-2_57386264.pdb POLG_DEN2P-3_57386264.pdb POLG_DEN26-1_57386264.pdb POLG_DEN26-2_57386264.pdb POLG_DEN26-3_57386264.pdb POLG_DEN27-1_57386264.pdb POLG_DEN27-2_57386264.pdb POLG_DEN27-3_57386264.pdb POLG_DEN28-1_57386264.pdb POLG_DEN28-2_57386264.pdb POLG_DEN28-3_57386264.pdb
59558449	-11.5	-11.4	-9.6	-11.6	-12.0	-9.5	-10.8	-9.7	-11.9	-10.8	-12.0	-9.7	-10.8	-11.3	-9.5	-10.3	-11.5	-9.6	-10.8±0.9	T793, R791, R736, T343, S318, A410, A410, E458, I411, T413, Q741	H797, I796, S795, C708, S709, Q741, T413, D662, R457, E415, I411, R736, I739, T793, R728, S318, W745, R791, S790, L461, K456, A407, T345, N416, W794, T343, E458, K459, Q350, E463, G462, D344, V353, M342, G349, T792, G742, A406, M340, A410, A410, S600, M454, G455, D414, F412, K419, L408, L408	POLG_DEN2J-1_59558449.pdb POLG_DEN2J-2_59558449.pdb POLG_DEN2J-3_59558449.pdb POLG_DEN2N-1_59558449.pdb POLG_DEN2N-2_59558449.pdb POLG_DEN2N-3_59558449.pdb POLG_DEN2P-1_59558449.pdb POLG_DEN2P-2_59558449.pdb POLG_DEN2P-3_59558449.pdb POLG_DEN26-1_59558449.pdb POLG_DEN26-2_59558449.pdb POLG_DEN26-3_59558449.pdb POLG_DEN27-1_59558449.pdb POLG_DEN27-2_59558449.pdb POLG_DEN27-3_59558449.pdb POLG_DEN28-1_59558449.pdb POLG_DEN28-2_59558449.pdb POLG_DEN28-3_59558449.pdb
4498597	-11.2	-11.7	-9.7	-11.4	-11.7	-9.6	-11.4	-9.1	-11.7	-10.9	-11.7	-9.0	-11.3	-11.7	-9.4	-11.3	-11.7	-9.0	-10.8±1.1	E415, W794, R728, T413, S318, T343, E463, Q741, S795	H797, Q741, S795, S318, C708, S709, K459, R736, R457, E415, W794, I411, F412, T413, I739, I796, H710, R728, T793, E458, G742, T792, R791, S790, K456, N416, T343, Y757, W745, F464, E463, G462, D344, P347, M340, Q350, V353, G349, G349	POLG_DEN2J-1_4498597.pdb POLG_DEN2J-2_4498597.pdb POLG_DEN2J-3_4498597.pdb POLG_DEN2N-1_4498597.pdb POLG_DEN2N-2_4498597.pdb POLG_DEN2N-3_4498597.pdb POLG_DEN2P-1_4498597.pdb POLG_DEN2P-2_4498597.pdb POLG_DEN2P-3_4498597.pdb POLG_DEN26-1_4498597.pdb POLG_DEN26-2_4498597.pdb POLG_DEN26-3_4498597.pdb POLG_DEN27-1_4498597.pdb POLG_DEN27-2_4498597.pdb POLG_DEN27-3_4498597.pdb POLG_DEN28-1_4498597.pdb POLG_DEN28-2_4498597.pdb POLG_DEN28-3_4498597.pdb
9935605	-11.7	-11.6	-9.3	-11.3	-11.7	-9.3	-11.4	-9.2	-11.6	-11.5	-11.7	-9.2	-11.4	-11.7	-9.3	-10.8	-11.6	-9.2	-10.8±1.1	R736, G742, S318, T413, W794, S315, S317, Q350, E458, T345, T345, T793, G455, R457	Q741, S318, K459, R736, M454, K456, R457, E415, W794, F412, T413, I739, E458, M319, T793, T792, T343, L461, G742, S315, T345, A410, I411, G409, Q350, F464, K466, S317, R352, R352, S795	POLG_DEN2J-1_9935605.pdb POLG_DEN2J-2_9935605.pdb POLG_DEN2J-3_9935605.pdb POLG_DEN2N-1_9935605.pdb POLG_DEN2N-2_9935605.pdb POLG_DEN2N-3_9935605.pdb POLG_DEN2P-1_9935605.pdb POLG_DEN2P-2_9935605.pdb POLG_DEN2P-3_9935605.pdb POLG_DEN26-1_9935605.pdb POLG_DEN26-2_9935605.pdb POLG_DEN26-3_9935605.pdb POLG_DEN27-1_9935605.pdb POLG_DEN27-2_9935605.pdb POLG_DEN27-3_9935605.pdb POLG_DEN28-1_9935605.pdb POLG_DEN28-2_9935605.pdb POLG_DEN28-3_9935605.pdb
41637815	-11.5	-11.3	-9.6	-11.5	-11.3	-9.4	-11.3	-9.6	-11.3	-11.4	-11.3	-9.6	-11.4	-11.2	-9.6	-11.3	-11.3	-9.6	-10.8±0.9	G742, W794, I411, S315, T413, G465, K466, M454, S318	Q741, S318, Y451, N452, R736, M454, K456, R457, E415, W794, F412, T413, G742, W745, R791, S790, Q312, S315, N416, A743, A410, I411, G465, F464, K466, S317, K417, T793, K459, E463, G462, T313, V353, M342, T343, G349	POLG_DEN2J-1_41637815.pdb POLG_DEN2J-2_41637815.pdb POLG_DEN2J-3_41637815.pdb POLG_DEN2N-1_41637815.pdb POLG_DEN2N-2_41637815.pdb POLG_DEN2N-3_41637815.pdb POLG_DEN2P-1_41637815.pdb POLG_DEN2P-2_41637815.pdb POLG_DEN2P-3_41637815.pdb POLG_DEN26-1_41637815.pdb POLG_DEN26-2_41637815.pdb POLG_DEN26-3_41637815.pdb POLG_DEN27-1_41637815.pdb POLG_DEN27-2_41637815.pdb POLG_DEN27-3_41637815.pdb POLG_DEN28-1_41637815.pdb POLG_DEN28-2_41637815.pdb POLG_DEN28-3_41637815.pdb
44540302	-12.3	-11.0	-9.1	-12.2	-10.9	-9.2	-12.2	-9.1	-10.9	-12.3	-11.0	-9.0	-12.2	-10.9	-8.9	-12.3	-10.9	-9.1	-10.8±1.3	T793, T413, S318, T343, A410, R736, G465, K466, A743, A743, Q741, F464, F464	Q741, W794, T793, S600, T413, M454, K456, R457, E415, I411, F412, R736, E458, G742, T792, R791, K459, T343, N416, S318, A410, I739, G409, W745, G465, F464, K466, T313, T313, S317, A743, A743	POLG_DEN2J-1_44540302.pdb POLG_DEN2J-2_44540302.pdb POLG_DEN2J-3_44540302.pdb POLG_DEN2N-1_44540302.pdb POLG_DEN2N-2_44540302.pdb POLG_DEN2N-3_44540302.pdb POLG_DEN2P-1_44540302.pdb POLG_DEN2P-2_44540302.pdb POLG_DEN2P-3_44540302.pdb POLG_DEN26-1_44540302.pdb POLG_DEN26-2_44540302.pdb POLG_DEN26-3_44540302.pdb POLG_DEN27-1_44540302.pdb POLG_DEN27-2_44540302.pdb POLG_DEN27-3_44540302.pdb POLG_DEN28-1_44540302.pdb POLG_DEN28-2_44540302.pdb POLG_DEN28-3_44540302.pdb
21471592	-11.9	-11.0	-9.6	-11.9	-11.0	-9.4	-11.5	-9.5	-11.0	-11.6	-11.0	-9.8	-11.6	-11.0	-9.6	-11.6	-11.0	-9.5	-10.8±0.9	R791, S790, Q741, K466, S795, G465, F464, S318, M342	H797, K459, S795, S318, Q741, R736, D663, R457, E415, W794, A410, I411, T413, I739, I796, S660, G742, W745, R791, S790, L461, K456, A407, A406, T343, T313, F464, K466, G465, K417, G409, L408, M454, G462, G455, F412, F412, E463	POLG_DEN2J-1_21471592.pdb POLG_DEN2J-2_21471592.pdb POLG_DEN2J-3_21471592.pdb POLG_DEN2N-1_21471592.pdb POLG_DEN2N-2_21471592.pdb POLG_DEN2N-3_21471592.pdb POLG_DEN2P-1_21471592.pdb POLG_DEN2P-2_21471592.pdb POLG_DEN2P-3_21471592.pdb POLG_DEN26-1_21471592.pdb POLG_DEN26-2_21471592.pdb POLG_DEN26-3_21471592.pdb POLG_DEN27-1_21471592.pdb POLG_DEN27-2_21471592.pdb POLG_DEN27-3_21471592.pdb POLG_DEN28-1_21471592.pdb POLG_DEN28-2_21471592.pdb POLG_DEN28-3_21471592.pdb
41041089	-11.3	-11.5	-9.7	-11.3	-11.2	-9.7	-11.0	-9.7	-11.5	-11.0	-11.5	-9.7	-11.1	-11.5	-9.6	-11.0	-11.5	-9.7	-10.8±0.8	W794, S709, R728, T413, S318, K456, S315, T343, F464, E463, Q350, Q350, D344, R352	Q741, W794, T793, T792, M760, T413, R457, E415, L733, E732, I411, R736, I739, R728, S709, G742, S318, W745, S790, S315, K456, N416, T343, G465, F464, K466, M454, E463, G462, D344, T346, P347, R352, M342, Q350, G349, K459, K459, V353	POLG_DEN2J-1_41041089.pdb POLG_DEN2J-2_41041089.pdb POLG_DEN2J-3_41041089.pdb POLG_DEN2N-1_41041089.pdb POLG_DEN2N-2_41041089.pdb POLG_DEN2N-3_41041089.pdb POLG_DEN2P-1_41041089.pdb POLG_DEN2P-2_41041089.pdb POLG_DEN2P-3_41041089.pdb POLG_DEN26-1_41041089.pdb POLG_DEN26-2_41041089.pdb POLG_DEN26-3_41041089.pdb POLG_DEN27-1_41041089.pdb POLG_DEN27-2_41041089.pdb POLG_DEN27-3_41041089.pdb POLG_DEN28-1_41041089.pdb POLG_DEN28-2_41041089.pdb POLG_DEN28-3_41041089.pdb
44454431	-10.4	-12.6	-9.4	-10.5	-12.6	-9.4	-10.1	-9.4	-12.6	-10.2	-12.6	-9.4	-10.1	-12.5	-9.6	-10.1	-12.6	-9.4	-10.8±1.4	W537, T792, T345, S315, T313, T313, S600, K456, K456, G465, K466, G349	T793, R736, M454, G455, K456, D662, W537, G536, I411, F412, T413, R457, D538, Q741, W794, T792, R791, S790, W745, T345, S315, A407, A406, N416, S318, G409, L408, T313, K466, K417, A410, A410, G742, S600, K459, E415, I739, I739, Q350, G465, F464, G462, G349	POLG_DEN2J-1_44454431.pdb POLG_DEN2J-2_44454431.pdb POLG_DEN2J-3_44454431.pdb POLG_DEN2N-1_44454431.pdb POLG_DEN2N-2_44454431.pdb POLG_DEN2N-3_44454431.pdb POLG_DEN2P-1_44454431.pdb POLG_DEN2P-2_44454431.pdb POLG_DEN2P-3_44454431.pdb POLG_DEN26-1_44454431.pdb POLG_DEN26-2_44454431.pdb POLG_DEN26-3_44454431.pdb POLG_DEN27-1_44454431.pdb POLG_DEN27-2_44454431.pdb POLG_DEN27-3_44454431.pdb POLG_DEN28-1_44454431.pdb POLG_DEN28-2_44454431.pdb POLG_DEN28-3_44454431.pdb
57483762	-11.2	-11.5	-9.6	-11.2	-11.5	-9.6	-11.1	-9.6	-11.5	-11.1	-11.5	-9.6	-11.1	-11.5	-9.6	-11.1	-11.5	-9.7	-10.8±0.8	T345, S318, F464, G462, T343, T343, Q350	I796, S795, S318, T793, S709, Q741, R736, D663, D662, H710, E415, I411, T413, I739, R457, R728, G742, W745, S790, T343, L461, K456, A407, N416, W794, A410, K459, K466, M454, T313, F464, Q350, S317, G462, D344, G465, T346, V353, G349, G349, E463	POLG_DEN2J-1_57483762.pdb POLG_DEN2J-2_57483762.pdb POLG_DEN2J-3_57483762.pdb POLG_DEN2N-1_57483762.pdb POLG_DEN2N-2_57483762.pdb POLG_DEN2N-3_57483762.pdb POLG_DEN2P-1_57483762.pdb POLG_DEN2P-2_57483762.pdb POLG_DEN2P-3_57483762.pdb POLG_DEN26-1_57483762.pdb POLG_DEN26-2_57483762.pdb POLG_DEN26-3_57483762.pdb POLG_DEN27-1_57483762.pdb POLG_DEN27-2_57483762.pdb POLG_DEN27-3_57483762.pdb POLG_DEN28-1_57483762.pdb POLG_DEN28-2_57483762.pdb POLG_DEN28-3_57483762.pdb
58114206	-12.4	-10.4	-9.9	-12.4	-10.4	-9.8	-11.1	-9.9	-10.4	-11.2	-10.4	-9.8	-12.4	-10.4	-9.9	-12.4	-10.4	-9.8	-10.7±1.0	T792, T413, A407, E749, W794, W794, Q741, S318, R457, R457	W794, T793, T792, Y451, N452, R736, M454, K456, R457, D414, I411, F412, T413, G601, E458, Q741, G742, W745, S790, E749, L461, A407, A406, N416, A410, G409, G409, K459, S318, S600, E415, I739, I739	POLG_DEN2J-1_58114206.pdb POLG_DEN2J-2_58114206.pdb POLG_DEN2J-3_58114206.pdb POLG_DEN2N-1_58114206.pdb POLG_DEN2N-2_58114206.pdb POLG_DEN2N-3_58114206.pdb POLG_DEN2P-1_58114206.pdb POLG_DEN2P-2_58114206.pdb POLG_DEN2P-3_58114206.pdb POLG_DEN26-1_58114206.pdb POLG_DEN26-2_58114206.pdb POLG_DEN26-3_58114206.pdb POLG_DEN27-1_58114206.pdb POLG_DEN27-2_58114206.pdb POLG_DEN27-3_58114206.pdb POLG_DEN28-1_58114206.pdb POLG_DEN28-2_58114206.pdb POLG_DEN28-3_58114206.pdb
46833812	-10.4	-11.9	-10.2	-10.4	-11.9	-10.2	-10.0	-10.2	-11.9	-10.0	-11.9	-10.2	-10.0	-11.9	-10.2	-10.0	-11.9	-10.2	-10.7±0.8	H797, R457, D663, R728, T413, I411, R736, W794, T343, E415, S318, S790, S790, T792, T792	R457, H797, S795, W794, T793, I796, M760, D663, Y765, A410, I411, F412, T413, L511, C708, H710, R728, Q741, G742, W745, S790, T343, L461, K456, N416, R736, I739, G409, S318, R791, S317, E415, L408, L408, T792, T792	POLG_DEN2J-1_46833812.pdb POLG_DEN2J-2_46833812.pdb POLG_DEN2J-3_46833812.pdb POLG_DEN2N-1_46833812.pdb POLG_DEN2N-2_46833812.pdb POLG_DEN2N-3_46833812.pdb POLG_DEN2P-1_46833812.pdb POLG_DEN2P-2_46833812.pdb POLG_DEN2P-3_46833812.pdb POLG_DEN26-1_46833812.pdb POLG_DEN26-2_46833812.pdb POLG_DEN26-3_46833812.pdb POLG_DEN27-1_46833812.pdb POLG_DEN27-2_46833812.pdb POLG_DEN27-3_46833812.pdb POLG_DEN28-1_46833812.pdb POLG_DEN28-2_46833812.pdb POLG_DEN28-3_46833812.pdb
59144489	-11.3	-11.3	-10.1	-11.3	-11.3	-10.1	-10.4	-10.1	-11.3	-10.4	-11.3	-10.1	-10.4	-11.3	-10.1	-11.2	-11.3	-10.1	-10.7±0.6	W794, T793, I411, Q312, T343, T343, D662, D662, K466, Q350	W794, T793, S600, M760, T413, M454, K456, R457, L733, E732, I411, F412, R736, Y757, R728, T792, Q741, G742, Q312, S315, G314, N416, A743, G465, F464, K466, S317, G462, D344, T313, V353, M342, Q350, T343, G349, G349, S795, S709, I796, D663, D662, E415, D533, D533, K459, P347, R352	POLG_DEN2J-1_59144489.pdb POLG_DEN2J-2_59144489.pdb POLG_DEN2J-3_59144489.pdb POLG_DEN2N-1_59144489.pdb POLG_DEN2N-2_59144489.pdb POLG_DEN2N-3_59144489.pdb POLG_DEN2P-1_59144489.pdb POLG_DEN2P-2_59144489.pdb POLG_DEN2P-3_59144489.pdb POLG_DEN26-1_59144489.pdb POLG_DEN26-2_59144489.pdb POLG_DEN26-3_59144489.pdb POLG_DEN27-1_59144489.pdb POLG_DEN27-2_59144489.pdb POLG_DEN27-3_59144489.pdb POLG_DEN28-1_59144489.pdb POLG_DEN28-2_59144489.pdb POLG_DEN28-3_59144489.pdb
59314525	-11.3	-11.2	-9.6	-11.3	-11.2	-9.7	-11.4	-9.7	-11.2	-11.4	-11.2	-9.7	-11.3	-11.2	-9.7	-11.4	-11.2	-9.7	-10.7±0.8	A410, R791, W794, W794, A743, S317, S790	S795, W794, G601, S600, Y451, M454, K456, R457, A410, I411, F412, T413, Q741, G742, S318, W745, R791, S790, T343, L461, A407, A406, N416, R736, I739, G409, Q350, N452, N452, T313, S317, K466, K417, R352, L408	POLG_DEN2J-1_59314525.pdb POLG_DEN2J-2_59314525.pdb POLG_DEN2J-3_59314525.pdb POLG_DEN2N-1_59314525.pdb POLG_DEN2N-2_59314525.pdb POLG_DEN2N-3_59314525.pdb POLG_DEN2P-1_59314525.pdb POLG_DEN2P-2_59314525.pdb POLG_DEN2P-3_59314525.pdb POLG_DEN26-1_59314525.pdb POLG_DEN26-2_59314525.pdb POLG_DEN26-3_59314525.pdb POLG_DEN27-1_59314525.pdb POLG_DEN27-2_59314525.pdb POLG_DEN27-3_59314525.pdb POLG_DEN28-1_59314525.pdb POLG_DEN28-2_59314525.pdb POLG_DEN28-3_59314525.pdb
99173125	-11.2	-11.5	-9.3	-11.3	-11.5	-9.6	-11.1	-9.5	-11.5	-11.2	-11.5	-9.5	-11.3	-11.5	-9.8	-11.2	-11.5	-9.4	-10.7±0.9	E415, I411, Q741, T345, S318, K456, T343, S790, R457, W794, A410, L408, L408, K466	Q741, S795, W794, T793, T792, I796, T413, G455, K456, R457, E415, A410, I411, F412, R736, I739, E458, G742, W745, S790, T343, L461, N416, G409, R791, S317, E463, F464, F464, G465, K466, K466, T313, K417, L408	POLG_DEN2J-1_99173125.pdb POLG_DEN2J-2_99173125.pdb POLG_DEN2J-3_99173125.pdb POLG_DEN2N-1_99173125.pdb POLG_DEN2N-2_99173125.pdb POLG_DEN2N-3_99173125.pdb POLG_DEN2P-1_99173125.pdb POLG_DEN2P-2_99173125.pdb POLG_DEN2P-3_99173125.pdb POLG_DEN26-1_99173125.pdb POLG_DEN26-2_99173125.pdb POLG_DEN26-3_99173125.pdb POLG_DEN27-1_99173125.pdb POLG_DEN27-2_99173125.pdb POLG_DEN27-3_99173125.pdb POLG_DEN28-1_99173125.pdb POLG_DEN28-2_99173125.pdb POLG_DEN28-3_99173125.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
68521365	-9.4	-10.1	-10.0	-10.0	-8.9	-10.6	-9.8±0.6
76541758	-9.5	-10.8	-9.7	-9.3	-8.4	-11.3	-9.8±1.1
99391620	-9.7	-10.5	-9.5	-9.0	-9.0	-11.3	-9.8±0.9
26263776	-10.0	-10.2	-9.8	-9.4	-8.7	-10.9	-9.8±0.7
28561811	-10.6	-9.6	-9.4	-9.2	-8.8	-11.4	-9.8±1.0
40459304	-10.0	-10.7	-10.1	-8.8	-8.3	-11.1	-9.8±1.1
44251670	-10.6	-10.1	-9.6	-9.5	-8.3	-10.9	-9.8±0.9
46377877	-10.4	-10.0	-9.9	-9.1	-8.7	-10.9	-9.8±0.8
9866760	-10.4	-10.2	-9.6	-9.4	-8.5	-10.8	-9.8±0.8
14171585	-10.6	-11.3	-10.6	-8.7	-7.5	-10.2	-9.8±1.4
22909490	-10.3	-10.3	-9.4	-9.7	-8.6	-10.6	-9.8±0.7
30094227	-9.9	-9.8	-9.6	-9.6	-8.7	-11.3	-9.8±0.8
44358152	-10.3	-10.7	-9.6	-9.0	-8.5	-10.8	-9.8±0.9
44538413	-10.1	-10.0	-9.0	-8.9	-9.1	-11.8	-9.8±1.1
52874674	-9.9	-9.9	-9.2	-9.1	-9.3	-11.5	-9.8±0.9
53098093	-10.1	-9.6	-9.5	-9.5	-9.0	-11.2	-9.8±0.8
58117469	-10.5	-10.5	-9.5	-9.5	-8.1	-10.8	-9.8±1.0
59119862	-10.0	-10.3	-9.5	-9.2	-8.6	-11.3	-9.8±0.9
66605204	-9.9	-9.8	-10.1	-9.6	-8.8	-10.7	-9.8±0.6
100585	-9.3	-11.1	-9.2	-9.3	-9.0	-11.0	-9.8±1.0
5611937	-9.8	-10.1	-10.0	-10.0	-9.5	-9.5	-9.8±0.3
10254060	-10.8	-9.7	-9.4	-9.6	-8.9	-10.5	-9.8±0.7
24879129	-9.5	-10.8	-9.4	-9.3	-8.5	-11.4	-9.8±1.1
44303726	-11.1	-9.8	-9.7	-9.7	-8.2	-10.4	-9.8±1.0
44447069	-10.2	-10.5	-9.5	-9.6	-8.7	-10.4	-9.8±0.7

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
56214202	-12.0	-12.0	-10.0	-9.8	-11.9	-9.9	-9.8	-12.0	-11.8	-11.0±1.1	Q413, T794, R729, Y758, T793, R457, D344, S318, R737, S741, Q416, M319, M319	K459, W795, T794, F412, M454, Q742, K456, G455, E414, A410, R737, Q413, R729, I740, S741, L754, F464, Y758, R457, E415, Q416, L340, W418, S318, S317, S315, K460, D344, T345, V353, T343, E458, M319, V411, G409, G409	POLG_DEN4D-1_56214202.pdb POLG_DEN4D-2_56214202.pdb POLG_DEN4D-3_56214202.pdb POLG_DEN4P-1_56214202.pdb POLG_DEN4P-2_56214202.pdb POLG_DEN4P-3_56214202.pdb POLG_DEN4T-1_56214202.pdb POLG_DEN4T-2_56214202.pdb POLG_DEN4T-3_56214202.pdb
59558378	-9.1	-11.6	-10.4	-12.3	-10.9	-10.4	-12.3	-11.6	-10.6	-11.0±1.0	Q413, S315, S796, E458, E458, R729	I740, K459, W795, F412, Q742, K456, K689, V411, R737, Q413, R792, T345, F464, L461, S315, G462, A407, E415, K460, G314, W418, S796, T794, Q339, M761, Y766, A799, L340, L734, T343, L511, H711, R729, S741, S318, M319, S317, Q416, G409, E458, I408, Y451, M454, G455, S710, E414, R457, I797, T605, T793, N609, D663, Y606	POLG_DEN4D-1_59558378.pdb POLG_DEN4D-2_59558378.pdb POLG_DEN4D-3_59558378.pdb POLG_DEN4P-1_59558378.pdb POLG_DEN4P-2_59558378.pdb POLG_DEN4P-3_59558378.pdb POLG_DEN4T-1_59558378.pdb POLG_DEN4T-2_59558378.pdb POLG_DEN4T-3_59558378.pdb
71149319	-11.3	-11.8	-10.1	-10.8	-11.3	-10.1	-10.8	-11.8	-11.2	-11.0±0.6	E458, R737, T345, Q742, S315, T794	E458, S796, W795, T794, M761, Y766, H711, R457, E414, E415, A410, K456, R737, L511, R729, I740, T793, R792, A406, F464, Y758, Q742, S315, A407, T345, W418, K459, G601, L461, K460, S600, N452, M453, M454, Q416, G417, I408, I797, A799, H801, G409, G409	POLG_DEN4D-1_71149319.pdb POLG_DEN4D-2_71149319.pdb POLG_DEN4D-3_71149319.pdb POLG_DEN4P-1_71149319.pdb POLG_DEN4P-2_71149319.pdb POLG_DEN4P-3_71149319.pdb POLG_DEN4T-1_71149319.pdb POLG_DEN4T-2_71149319.pdb POLG_DEN4T-3_71149319.pdb
25065560	-10.6	-12.5	-9.5	-11.1	-10.6	-9.6	-11.2	-12.4	-11.6	-11.0±1.1	T794, Y766, G455, E415, S317, S315, T345, E458, E458, K456, E414, Q742	E458, S796, W795, T794, M761, Y766, G455, H711, S710, E414, E415, K456, F412, L511, R457, R729, A744, T345, A406, F464, S317, Q742, S315, A407, Q416, T343, W418, G409, K459, R792, L461, K460, I740, S318, I408, T793, M454, L734, R737, G601, Y451, N452, W477, R481	POLG_DEN4D-1_25065560.pdb POLG_DEN4D-2_25065560.pdb POLG_DEN4D-3_25065560.pdb POLG_DEN4P-1_25065560.pdb POLG_DEN4P-2_25065560.pdb POLG_DEN4P-3_25065560.pdb POLG_DEN4T-1_25065560.pdb POLG_DEN4T-2_25065560.pdb POLG_DEN4T-3_25065560.pdb
58117279	-11.7	-11.5	-10.2	-10.7	-11.7	-10.2	-10.7	-10.9	-11.5	-11.0±0.6	T794, Q742, S315, R792, R737, W795, K456	S796, W795, T794, T793, K459, M761, Y766, H711, R457, E414, E415, R737, L511, R729, S741, A744, T345, T313, F464, Q742, S315, G314, Q416, Q413, W418, E458, S318, R792, M319, K460, A407, T343, F412, G601, N452, M454, K456, G409, Y451, M453, S600, L734	POLG_DEN4D-1_58117279.pdb POLG_DEN4D-2_58117279.pdb POLG_DEN4D-3_58117279.pdb POLG_DEN4P-1_58117279.pdb POLG_DEN4P-2_58117279.pdb POLG_DEN4P-3_58117279.pdb POLG_DEN4T-1_58117279.pdb POLG_DEN4T-2_58117279.pdb POLG_DEN4T-3_58117279.pdb
90731410	-11.9	-11.3	-9.3	-10.8	-11.9	-9.3	-11.2	-11.4	-12.0	-11.0±1.0	R737, W795	K459, W795, T794, T793, F412, G455, K456, R457, E414, E415, A410, R737, R792, S791, A406, F464, Q742, A407, G417, W418, G409, I740, E458, S318, M319, K460, L340, T343, Q416, I408, I797, S796, A799, H801	POLG_DEN4D-1_90731410.pdb POLG_DEN4D-2_90731410.pdb POLG_DEN4D-3_90731410.pdb POLG_DEN4P-1_90731410.pdb POLG_DEN4P-2_90731410.pdb POLG_DEN4P-3_90731410.pdb POLG_DEN4T-1_90731410.pdb POLG_DEN4T-2_90731410.pdb POLG_DEN4T-3_90731410.pdb
102119533	-11.9	-11.8	-9.2	-10.7	-11.9	-9.2	-10.7	-11.8	-11.9	-11.0±1.1	T794, Q413, T345, Q742, S318, M319	S796, W795, T794, T793, F412, M761, K456, A410, L734, R737, Q413, R729, S318, A744, M319, F464, Q742, S315, E415, Q416, T343, W418, E458, K459, R792, K460, D344, I740, A407, G409, I408, I408, E414	POLG_DEN4D-1_102119533.pdb POLG_DEN4D-2_102119533.pdb POLG_DEN4D-3_102119533.pdb POLG_DEN4P-1_102119533.pdb POLG_DEN4P-2_102119533.pdb POLG_DEN4P-3_102119533.pdb POLG_DEN4T-1_102119533.pdb POLG_DEN4T-2_102119533.pdb POLG_DEN4T-3_102119533.pdb
44605023	-10.9	-11.8	-10.0	-11.0	-11.6	-9.9	-11.3	-11.8	-10.8	-11.0±0.7	E458, T794, R457, R457, T345, S318, R737, T343, Q416, R729, D344	E458, S796, W795, T794, G455, F412, M761, Y766, Q742, K456, R457, E414, E415, R737, Q413, L511, R729, I740, R792, T345, F464, A407, A406, L340, T343, W418, G409, K459, S318, M319, S317, L461, S315, K460, Q416, I408, M454, Y758, E733, L734, D344, I797, N609, D663, A410, V411, D538	POLG_DEN4D-1_44605023.pdb POLG_DEN4D-2_44605023.pdb POLG_DEN4D-3_44605023.pdb POLG_DEN4P-1_44605023.pdb POLG_DEN4P-2_44605023.pdb POLG_DEN4P-3_44605023.pdb POLG_DEN4T-1_44605023.pdb POLG_DEN4T-2_44605023.pdb POLG_DEN4T-3_44605023.pdb
46231533	-11.3	-11.6	-10.2	-10.7	-11.3	-10.2	-10.7	-11.5	-11.6	-11.0±0.6	E458, Y451, N452, G455, E414, S315, T345, Q416, S318, K456, K456	E458, Q742, T794, T793, F412, Y451, N452, M453, M454, G455, K456, R457, E414, R737, W795, S318, R792, T345, F464, S315, A407, E415, W418, K459, M319, L461, K460, T343, S741, S317, Q416, G409, I408, I408, A744, G314, I797, S796, Y606, N609, D663, A410, V411, Q413	POLG_DEN4D-1_46231533.pdb POLG_DEN4D-2_46231533.pdb POLG_DEN4D-3_46231533.pdb POLG_DEN4P-1_46231533.pdb POLG_DEN4P-2_46231533.pdb POLG_DEN4P-3_46231533.pdb POLG_DEN4T-1_46231533.pdb POLG_DEN4T-2_46231533.pdb POLG_DEN4T-3_46231533.pdb
54087042	-11.3	-11.6	-10.2	-11.0	-11.2	-10.2	-11.0	-11.6	-11.0	-11.0±0.5	E415, F412, Q742, Q742, S318, E458, E414	I740, K459, W795, G455, F412, Y451, N452, M454, Q742, K456, R457, E414, E415, R737, E458, T345, A406, F464, L461, K460, A407, T343, G462, W418, T419, G409, S318, R792, M319, S315, S796, G601, H801, I408, I408, I797, V411	POLG_DEN4D-1_54087042.pdb POLG_DEN4D-2_54087042.pdb POLG_DEN4D-3_54087042.pdb POLG_DEN4P-1_54087042.pdb POLG_DEN4P-2_54087042.pdb POLG_DEN4P-3_54087042.pdb POLG_DEN4T-1_54087042.pdb POLG_DEN4T-2_54087042.pdb POLG_DEN4T-3_54087042.pdb
57391501	-11.1	-11.8	-10.5	-10.5	-11.0	-10.6	-10.5	-11.8	-11.3	-11.0±0.5	T794, S315, E458, T345, Q416, S318, T343, T343	E458, S796, W795, T794, T793, F412, K459, G455, K456, R457, E414, E415, R737, R729, S741, A744, W746, F464, Q742, S315, K460, Q416, M319, W418, S318, R792, L461, T343, G409, T345, S710, Y451, N452, M454, A410, W477, Q413	POLG_DEN4D-1_57391501.pdb POLG_DEN4D-2_57391501.pdb POLG_DEN4D-3_57391501.pdb POLG_DEN4P-1_57391501.pdb POLG_DEN4P-2_57391501.pdb POLG_DEN4P-3_57391501.pdb POLG_DEN4T-1_57391501.pdb POLG_DEN4T-2_57391501.pdb POLG_DEN4T-3_57391501.pdb
59973115	-10.5	-12.6	-9.0	-12.0	-10.3	-9.1	-12.0	-12.6	-11.0	-11.0±1.4	S796, Q413, A410, E415, A407, T794, K456, K459, Q742	S796, W795, T794, T793, F412, E415, M761, A799, R457, L511, A410, H711, R737, Q413, W803, R729, I740, R792, T345, F464, Q742, K460, A407, T343, W418, E458, D344, L340, S741, Y758, K456, Q416, K459, E414, I797, M454, D663, G455, V411, D538	POLG_DEN4D-1_59973115.pdb POLG_DEN4D-2_59973115.pdb POLG_DEN4D-3_59973115.pdb POLG_DEN4P-1_59973115.pdb POLG_DEN4P-2_59973115.pdb POLG_DEN4P-3_59973115.pdb POLG_DEN4T-1_59973115.pdb POLG_DEN4T-2_59973115.pdb POLG_DEN4T-3_59973115.pdb
69707773	-11.2	-11.9	-9.6	-11.3	-11.1	-9.5	-11.3	-12.0	-11.2	-11.0±0.9	E458, E415, Q742, T794, R457, A407, A407	E458, S796, W795, T794, T793, F412, K459, Q742, K456, R457, E414, E415, R737, R792, T345, F464, A407, T343, W418, G409, S741, S318, M319, K460, D344, V353, Q350, S791, A406, Q416, G417, H801, I408, I408	POLG_DEN4D-1_69707773.pdb POLG_DEN4D-2_69707773.pdb POLG_DEN4D-3_69707773.pdb POLG_DEN4P-1_69707773.pdb POLG_DEN4P-2_69707773.pdb POLG_DEN4P-3_69707773.pdb POLG_DEN4T-1_69707773.pdb POLG_DEN4T-2_69707773.pdb POLG_DEN4T-3_69707773.pdb
59212517	-11.4	-11.6	-10.1	-10.9	-11.4	-10.2	-10.6	-11.6	-11.3	-11.0±0.6	E415, Q742, T794, S318, R737, R737	T794, T793, F412, M454, M761, Y766, G455, K456, R457, E414, L734, R737, R729, W795, A744, F464, Q742, S315, E415, Q416, W418, E458, K460, S318, T343, R792, N452, M453, I408, G409, S600, I797, S796, G601, A799, A406, H801, H711	POLG_DEN4D-1_59212517.pdb POLG_DEN4D-2_59212517.pdb POLG_DEN4D-3_59212517.pdb POLG_DEN4P-1_59212517.pdb POLG_DEN4P-2_59212517.pdb POLG_DEN4P-3_59212517.pdb POLG_DEN4T-1_59212517.pdb POLG_DEN4T-2_59212517.pdb POLG_DEN4T-3_59212517.pdb
41927843	-11.1	-11.8	-9.8	-10.8	-11.4	-10.0	-11.0	-11.7	-11.4	-11.0±0.7	W795, R737, S741, Q742, S318, E458, K459, L461, Q416, Q416	S796, W795, T794, G455, F412, K459, M454, M761, Y766, Q742, H711, R457, E414, E415, K456, R737, L511, R729, S741, G743, A744, W746, T345, F464, S315, S318, T343, M319, W418, E458, R792, L461, K460, I740, Q416, L340, G409, E750, S791, A410, N405, G417, I797, D663, V411, Q413, D538	POLG_DEN4D-1_41927843.pdb POLG_DEN4D-2_41927843.pdb POLG_DEN4D-3_41927843.pdb POLG_DEN4P-1_41927843.pdb POLG_DEN4P-2_41927843.pdb POLG_DEN4P-3_41927843.pdb POLG_DEN4T-1_41927843.pdb POLG_DEN4T-2_41927843.pdb POLG_DEN4T-3_41927843.pdb
56244330	-11.6	-11.9	-9.3	-10.9	-11.6	-9.4	-10.9	-11.9	-11.5	-11.0±1.0	T794, Q742, S318, E415, A407	S796, W795, T794, F412, K459, M454, M761, Y766, G455, H711, R457, E414, E415, K456, R737, L511, R729, S318, A744, R792, F464, L461, Q742, S315, G462, K460, W418, S741, M319, A407, N405, E458, G601, S600, M453, Q416, Q350, G409, I408, I408	POLG_DEN4D-1_56244330.pdb POLG_DEN4D-2_56244330.pdb POLG_DEN4D-3_56244330.pdb POLG_DEN4P-1_56244330.pdb POLG_DEN4P-2_56244330.pdb POLG_DEN4P-3_56244330.pdb POLG_DEN4T-1_56244330.pdb POLG_DEN4T-2_56244330.pdb POLG_DEN4T-3_56244330.pdb
4498761	-11.4	-12.0	-9.5	-10.9	-11.4	-9.6	-10.8	-12.0	-11.4	-11.0±0.9	Q413, T794, R729, E415, M319, S318, E458, T343, Q742, Q416, Q416	E458, S796, W795, T794, T793, F412, K459, M761, S710, E414, E415, E733, L734, R737, Q413, R457, R729, I740, S318, M319, T345, F464, Y758, Q742, W418, S741, S317, K460, A410, T343, L340, R792, K456, Q416, L461	POLG_DEN4D-1_4498761.pdb POLG_DEN4D-2_4498761.pdb POLG_DEN4D-3_4498761.pdb POLG_DEN4P-1_4498761.pdb POLG_DEN4P-2_4498761.pdb POLG_DEN4P-3_4498761.pdb POLG_DEN4T-1_4498761.pdb POLG_DEN4T-2_4498761.pdb POLG_DEN4T-3_4498761.pdb
6129755	-11.6	-11.5	-9.6	-10.7	-11.7	-10.1	-10.7	-11.5	-11.6	-11.0±0.8	T794, T793, R729, M319, S318, E458, R737	I740, K459, W795, T794, T793, F412, M761, Q742, R457, E414, L734, R737, Q413, R729, S318, M319, T345, F464, E415, T343, W418, E458, S741, R792, L461, K460, Y758, K456, Q416, S791, A407, I408, M454, E733, G455	POLG_DEN4D-1_6129755.pdb POLG_DEN4D-2_6129755.pdb POLG_DEN4D-3_6129755.pdb POLG_DEN4P-1_6129755.pdb POLG_DEN4P-2_6129755.pdb POLG_DEN4P-3_6129755.pdb POLG_DEN4T-1_6129755.pdb POLG_DEN4T-2_6129755.pdb POLG_DEN4T-3_6129755.pdb
10410064	-11.0	-12.2	-10.3	-10.4	-11.0	-10.3	-10.5	-12.2	-11.1	-11.0±0.7	Y451, A744, E458, Q416, S318, T343, T343	K459, W795, G455, S600, Y451, M453, M454, Q742, K456, R457, E414, E415, A410, K357, R737, Q413, F412, S741, G743, A744, W746, T345, F464, L461, S315, G462, S317, K460, T343, W418, E458, S318, R792, A407, G409, Q416, Q416, S796, T794, T793, R729	POLG_DEN4D-1_10410064.pdb POLG_DEN4D-2_10410064.pdb POLG_DEN4D-3_10410064.pdb POLG_DEN4P-1_10410064.pdb POLG_DEN4P-2_10410064.pdb POLG_DEN4P-3_10410064.pdb POLG_DEN4T-1_10410064.pdb POLG_DEN4T-2_10410064.pdb POLG_DEN4T-3_10410064.pdb
23627602	-11.0	-11.6	-9.7	-11.7	-11.0	-9.7	-11.7	-11.6	-11.0	-11.0±0.8	T794, Y766, Q742, R792, N452, Q350, Q350	K456, T794, F412, M454, M761, Y766, G455, H711, R457, E414, L734, R737, L511, R729, W795, A744, R792, S791, T345, F464, Q742, S315, A407, E415, Q416, W418, K459, G743, M319, L461, K460, S318, A410, E458, G601, N452, M453, Q350, Q350, S600, I797, S796, Y606, D663, N609, V411	POLG_DEN4D-1_23627602.pdb POLG_DEN4D-2_23627602.pdb POLG_DEN4D-3_23627602.pdb POLG_DEN4P-1_23627602.pdb POLG_DEN4P-2_23627602.pdb POLG_DEN4P-3_23627602.pdb POLG_DEN4T-1_23627602.pdb POLG_DEN4T-2_23627602.pdb POLG_DEN4T-3_23627602.pdb
26283419	-11.4	-12.0	-9.5	-10.9	-11.4	-9.6	-10.9	-12.0	-11.3	-11.0±0.9	W795, T794, R737, Q742, S318, E458, K459, Q416, R729	I740, S796, W795, T794, T793, C709, K459, M761, Y766, Q742, H711, S710, K456, L734, R737, R457, F412, R729, S318, A744, R792, M319, F464, S315, A407, L340, T343, W418, S741, L461, K460, D344, T345, E458, S317, G455, Q416, G409, E415, E414, S791, N405, I408	POLG_DEN4D-1_26283419.pdb POLG_DEN4D-2_26283419.pdb POLG_DEN4D-3_26283419.pdb POLG_DEN4P-1_26283419.pdb POLG_DEN4P-2_26283419.pdb POLG_DEN4P-3_26283419.pdb POLG_DEN4T-1_26283419.pdb POLG_DEN4T-2_26283419.pdb POLG_DEN4T-3_26283419.pdb
45167069	-10.7	-11.7	-10.6	-11.9	-10.3	-8.3	-11.9	-11.8	-11.8	-11.0±1.2	R737, R457, Y758, T793, K456, Q742, R792, T794, S318	E458, S796, W795, T794, T793, F412, K459, Q742, K456, S710, E414, G455, R737, R457, R729, I740, S741, R792, F464, Y758, A407, T343, W418, G409, L461, K460, S600, S791, Q416, G417, H801, I408, C709, H711, S318, M342, D344, L340, N405, A406, T605, Y606, M454, D663, N609, A410, V411	POLG_DEN4D-1_45167069.pdb POLG_DEN4D-2_45167069.pdb POLG_DEN4D-3_45167069.pdb POLG_DEN4P-1_45167069.pdb POLG_DEN4P-2_45167069.pdb POLG_DEN4P-3_45167069.pdb POLG_DEN4T-1_45167069.pdb POLG_DEN4T-2_45167069.pdb POLG_DEN4T-3_45167069.pdb
51925674	-11.0	-11.8	-10.3	-10.7	-11.5	-10.2	-10.7	-11.8	-11.0	-11.0±0.6	E415, T794, S315, T345, G743, S318, M454, K456, R457, T793, K459, L461	I797, S796, W795, T794, T793, F412, K459, Q742, K456, R457, E414, E415, A410, V411, R737, G455, E458, S741, A744, T313, F464, S315, G314, Q416, Q413, W418, G743, R792, M319, K460, T345, S318, T343, G601, N452, M453, Q350, G409, V358, M454, M761, Y766, H711, L511, R729, I740, L461, A407, N405, S791, A406, H801, I408, E733, L734	POLG_DEN4D-1_51925674.pdb POLG_DEN4D-2_51925674.pdb POLG_DEN4D-3_51925674.pdb POLG_DEN4P-1_51925674.pdb POLG_DEN4P-2_51925674.pdb POLG_DEN4P-3_51925674.pdb POLG_DEN4T-1_51925674.pdb POLG_DEN4T-2_51925674.pdb POLG_DEN4T-3_51925674.pdb
55790271	-11.5	-11.8	-9.4	-11.0	-11.6	-9.3	-11.0	-11.8	-11.6	-11.0±1.0	W795, R737, Q742, S318, Q416, T343, T343	I740, S796, W795, T794, T793, F412, K459, M761, Y766, Q742, H711, S710, K456, R737, R457, R729, S318, A744, R792, M319, F464, S315, A407, L340, T343, W418, L461, K460, E458, S791, T345, Q416, Q416	POLG_DEN4D-1_55790271.pdb POLG_DEN4D-2_55790271.pdb POLG_DEN4D-3_55790271.pdb POLG_DEN4P-1_55790271.pdb POLG_DEN4P-2_55790271.pdb POLG_DEN4P-3_55790271.pdb POLG_DEN4T-1_55790271.pdb POLG_DEN4T-2_55790271.pdb POLG_DEN4T-3_55790271.pdb
57467031	-11.4	-12.1	-9.7	-9.8	-11.4	-9.8	-11.2	-12.1	-11.5	-11.0±1.0	T794, G455, A407, T345, T343, S315, R457, M319, R737, R737, Q416, S318	E458, W795, T794, T793, F412, M761, G455, K456, R457, E414, E415, E733, L734, R737, R729, A744, R792, T345, F464, S317, Q742, A407, Q416, T343, W418, I740, S741, S318, M319, K460, S315, L340, I797, S796, A406, G409, I408, C709, H711, H798, S710	POLG_DEN4D-1_57467031.pdb POLG_DEN4D-2_57467031.pdb POLG_DEN4D-3_57467031.pdb POLG_DEN4P-1_57467031.pdb POLG_DEN4P-2_57467031.pdb POLG_DEN4P-3_57467031.pdb POLG_DEN4T-1_57467031.pdb POLG_DEN4T-2_57467031.pdb POLG_DEN4T-3_57467031.pdb

NS5 RdRp versus Dengue library

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