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
324225	-10.8	-9.6	-12.4	-9.2	-9.6	-12.4	-10.7±1.4	Q741, S318, K456, S795, S709, R728	Q741, W794, T793, S709, K459, K456, R457, F412, R736, V739, R728, T792, Q350, T343, S317, D344, S318, I340, M342, G349, E458, G742, W745, S790, A410, V411, V413, I796, S795, D663, D662, H710, D533	POLG_DEN1B-1_324225.pdb POLG_DEN1B-2_324225.pdb POLG_DEN1B-3_324225.pdb POLG_DEN1W-1_324225.pdb POLG_DEN1W-2_324225.pdb POLG_DEN1W-3_324225.pdb
4102255	-11.1	-9.1	-11.8	-11.1	-9.1	-11.8	-10.7±1.3	T793, R728, R736, R736	Q741, S795, W794, T793, T792, M760, L733, E732, V411, F412, R736, R728, S709, W745, R791, S790, E415, Q417, A410, V413, G409, I408, E458, K459, G742, Y757, T343, T345, V739, V739	POLG_DEN1B-1_4102255.pdb POLG_DEN1B-2_4102255.pdb POLG_DEN1B-3_4102255.pdb POLG_DEN1W-1_4102255.pdb POLG_DEN1W-2_4102255.pdb POLG_DEN1W-3_4102255.pdb
10295444	-11.4	-9.9	-10.7	-11.4	-9.9	-10.7	-10.7±0.7	S795, W794, T793, G349, G349	K459, S795, W794, T793, T792, Q741, R457, L733, A410, F412, R736, R728, S318, Q350, E463, G462, D344, V353, M342, I340, G349, T343, E458, G742, Y757, K456, T345, N416, S315, G409, V411, A341	POLG_DEN1B-1_10295444.pdb POLG_DEN1B-2_10295444.pdb POLG_DEN1B-3_10295444.pdb POLG_DEN1W-1_10295444.pdb POLG_DEN1W-2_10295444.pdb POLG_DEN1W-3_10295444.pdb
55462096	-10.1	-10.3	-11.7	-10.0	-10.3	-11.6	-10.7±0.8	S709, R728, R736, T343, G742, S318, A410, A410	Q741, S795, W794, T793, S709, K459, H710, F412, R736, V739, R457, R728, P347, S318, M336, G462, D344, T346, E732, I340, M342, T343, G349, E458, G742, W745, R791, A410, V411, G409, T792	POLG_DEN1B-1_55462096.pdb POLG_DEN1B-2_55462096.pdb POLG_DEN1B-3_55462096.pdb POLG_DEN1W-1_55462096.pdb POLG_DEN1W-2_55462096.pdb POLG_DEN1W-3_55462096.pdb
56680571	-9.9	-9.8	-12.3	-9.9	-9.8	-12.3	-10.7±1.3	Q741, W794, T793, S313, F464, K466, S317, S317	Q741, S795, W794, T793, S709, R457, F412, R736, T792, K466, S313, F464, V413, S317, G465, Q417, A410, R352, Q350, E458, K459, G742, S315, K456, N416, S318, V411, V739, G409, W745, W745	POLG_DEN1B-1_56680571.pdb POLG_DEN1B-2_56680571.pdb POLG_DEN1B-3_56680571.pdb POLG_DEN1W-1_56680571.pdb POLG_DEN1W-2_56680571.pdb POLG_DEN1W-3_56680571.pdb
57883147	-9.4	-10.7	-11.9	-9.4	-10.7	-11.9	-10.7±1.1	S313, S317, S318, S315, S315	W794, S709, K456, R457, A410, V411, F412, R736, R728, D538, Q741, W745, R791, S790, S313, K466, S317, Q417, G409, I408, G742, S318, T343, S315, T345, N416, V413, V413	POLG_DEN1B-1_57883147.pdb POLG_DEN1B-2_57883147.pdb POLG_DEN1B-3_57883147.pdb POLG_DEN1W-1_57883147.pdb POLG_DEN1W-2_57883147.pdb POLG_DEN1W-3_57883147.pdb
59113200	-9.6	-10.2	-12.2	-9.6	-10.2	-12.2	-10.7±1.2	R352, Q350, W794, K456, K456	K459, S795, W794, T793, I796, V413, R457, A410, V411, F412, R736, R728, S313, S317, K466, M454, E415, R352, Q350, E458, Q741, G742, Y757, W745, S790, S315, K456, A407, T345, N416, V739, G409, G409	POLG_DEN1B-1_59113200.pdb POLG_DEN1B-2_59113200.pdb POLG_DEN1B-3_59113200.pdb POLG_DEN1W-1_59113200.pdb POLG_DEN1W-2_59113200.pdb POLG_DEN1W-3_59113200.pdb
59986511	-10.1	-10.2	-11.7	-10.1	-10.2	-11.7	-10.7±0.8	K466, S317, W794, W794	Q741, T793, T792, K459, R457, A410, V411, F412, R736, I796, W794, G465, F464, K466, S317, E415, N416, V413, R791, S790, L461, K456, A407, A406, T343, G409, G409	POLG_DEN1B-1_59986511.pdb POLG_DEN1B-2_59986511.pdb POLG_DEN1B-3_59986511.pdb POLG_DEN1W-1_59986511.pdb POLG_DEN1W-2_59986511.pdb POLG_DEN1W-3_59986511.pdb
60118830	-10.1	-10.6	-11.6	-9.6	-10.6	-11.5	-10.7±0.8	T793, Y765, S313, S317, S315, S790, D533, S709, D663, N416, W794, V411, R736	S795, W794, T793, S709, Y765, M760, R457, F412, R736, L511, C708, H710, R728, Q741, G601, S313, K466, S317, A410, V413, G742, S318, W745, R791, S790, M319, S315, K456, N416, V411, V739, G409, T792, D663, D533, E458, L461, T345, T343	POLG_DEN1B-1_60118830.pdb POLG_DEN1B-2_60118830.pdb POLG_DEN1B-3_60118830.pdb POLG_DEN1W-1_60118830.pdb POLG_DEN1W-2_60118830.pdb POLG_DEN1W-3_60118830.pdb
60475556	-10.3	-10.1	-11.7	-10.2	-10.0	-11.7	-10.7±0.8	T793, R728, Y765, K466, S317, G742, W794, S315, R736, R736	I796, S795, W794, T793, S600, M760, Y765, S709, L733, A410, V411, F412, R736, L511, C708, H710, R728, D538, Q741, G465, F464, K466, S317, E415, V413, R352, G742, S318, S315, K456, R457, T345, T343, G409, G409	POLG_DEN1B-1_60475556.pdb POLG_DEN1B-2_60475556.pdb POLG_DEN1B-3_60475556.pdb POLG_DEN1W-1_60475556.pdb POLG_DEN1W-2_60475556.pdb POLG_DEN1W-3_60475556.pdb
89856935	-9.9	-10.3	-11.6	-10.2	-10.4	-11.6	-10.7±0.7	T792, F412, Q741, W794, T345, S318, S315, S315	R457, T793, T792, M760, H710, L733, A410, V411, F412, R736, Y765, R728, Q741, G742, W794, W745, S790, V413, S318, R791, A406, S315, A407, T345, N416, G409, T605, K459, S795, S709, N609, D662, I796	POLG_DEN1B-1_89856935.pdb POLG_DEN1B-2_89856935.pdb POLG_DEN1B-3_89856935.pdb POLG_DEN1W-1_89856935.pdb POLG_DEN1W-2_89856935.pdb POLG_DEN1W-3_89856935.pdb
146429	-10.7	-9.6	-11.6	-10.8	-9.6	-11.6	-10.7±0.9	Q741, T793, R728, R736, N416, N416	Q741, S795, T793, T792, M760, R457, H710, L733, R736, Y765, R728, S709, W794, D344, E732, I340, K459, W745, A407, A406, N416, A410, V411, G409, G409	POLG_DEN1B-1_146429.pdb POLG_DEN1B-2_146429.pdb POLG_DEN1B-3_146429.pdb POLG_DEN1W-1_146429.pdb POLG_DEN1W-2_146429.pdb POLG_DEN1W-3_146429.pdb
11999940	-11.1	-10.3	-10.4	-11.1	-10.3	-10.7	-10.7±0.4	D662, T792, K466, S317, G349, T343, A407, W794, S318, S315, T345, K456	Q741, W794, T793, K459, R736, D662, K456, R457, F412, V413, D538, Q350, G465, K466, S317, G462, E415, V353, R352, T343, G349, S318, R791, S315, A407, N416, A743, A410, V411, G409, I408, S313, P312, G314, T345	POLG_DEN1B-1_11999940.pdb POLG_DEN1B-2_11999940.pdb POLG_DEN1B-3_11999940.pdb POLG_DEN1W-1_11999940.pdb POLG_DEN1W-2_11999940.pdb POLG_DEN1W-3_11999940.pdb
20765428	-9.8	-9.9	-12.2	-9.8	-9.9	-12.3	-10.7±1.2	T793, S709, W794, R728, W745	S795, W794, T793, S709, D663, A410, V411, Q741, W745, S790, K466, S317, R352, V413, R791, R736, L461, K456, T345, S318, T343, G409, I796, F412, C708	POLG_DEN1B-1_20765428.pdb POLG_DEN1B-2_20765428.pdb POLG_DEN1B-3_20765428.pdb POLG_DEN1W-1_20765428.pdb POLG_DEN1W-2_20765428.pdb POLG_DEN1W-3_20765428.pdb
57878320	-10.8	-10.2	-11.0	-10.8	-10.2	-10.9	-10.7±0.4	Q741, D538, D344, E732, M342, T343, T345, S318, S315, S790, S790	T605, Q741, W794, S600, R736, R457, A410, V411, F412, V413, D538, M336, E463, G462, D344, E732, I340, M342, T343, G349, R728, S740, G742, S318, W745, S790, M319, S315, A406, A407, T345, K456, G409, G409	POLG_DEN1B-1_57878320.pdb POLG_DEN1B-2_57878320.pdb POLG_DEN1B-3_57878320.pdb POLG_DEN1W-1_57878320.pdb POLG_DEN1W-2_57878320.pdb POLG_DEN1W-3_57878320.pdb
58117469	-10.7	-10.1	-11.0	-10.7	-10.4	-11.0	-10.7±0.4	S795, W794, T793, K466, S317, Q350, G462, R791	T605, Q741, S795, W794, T793, S600, K459, V413, V411, F412, R736, I796, G601, G465, F464, S317, S313, Q417, Q350, K466, G742, S318, W745, R791, S790, K456, N416, A410, T343, G409, N609, G462, D344, V353, G349, A407, N419	POLG_DEN1B-1_58117469.pdb POLG_DEN1B-2_58117469.pdb POLG_DEN1B-3_58117469.pdb POLG_DEN1W-1_58117469.pdb POLG_DEN1W-2_58117469.pdb POLG_DEN1W-3_58117469.pdb
66662216	-9.9	-10.1	-11.7	-10.4	-10.1	-11.7	-10.7±0.8	Q350, Y757, V411, W794, T793	Q741, S795, W794, S600, K459, D662, R457, V411, F412, R736, I796, D538, V413, G462, D344, I340, Q350, T343, G349, E458, M319, Y757, T792, R791, G742, S315, K456, A410, V739, G409, Q339, M336, E732, T793, R728	POLG_DEN1B-1_66662216.pdb POLG_DEN1B-2_66662216.pdb POLG_DEN1B-3_66662216.pdb POLG_DEN1W-1_66662216.pdb POLG_DEN1W-2_66662216.pdb POLG_DEN1W-3_66662216.pdb
67994760	-10.0	-10.6	-11.2	-10.2	-10.7	-11.2	-10.7±0.5	T792, D344, T346, E732, T793, R728, W794, S318, S315, T343, A410	Q741, W794, T793, T792, K459, M760, R457, A410, V411, F412, R736, Y757, R728, M336, D344, T346, E732, I340, G735, F348, G742, A743, S318, W745, R791, S790, T343, M319, S315, K456, V413, G409, G409	POLG_DEN1B-1_67994760.pdb POLG_DEN1B-2_67994760.pdb POLG_DEN1B-3_67994760.pdb POLG_DEN1W-1_67994760.pdb POLG_DEN1W-2_67994760.pdb POLG_DEN1W-3_67994760.pdb
73755605	-10.7	-9.7	-11.6	-10.6	-9.7	-11.6	-10.7±0.9	Q741, T793, S317, E463, G462, E458, G742, S318, S318	K459, S795, W794, T793, S709, Q741, H710, A410, V411, F412, R736, V739, R457, R728, S318, G465, F464, K466, S317, E463, G462, E415, Q417, V413, E458, M319, A743, Y757, T792, L461, G742, S315, K456, T343, T343	POLG_DEN1B-1_73755605.pdb POLG_DEN1B-2_73755605.pdb POLG_DEN1B-3_73755605.pdb POLG_DEN1W-1_73755605.pdb POLG_DEN1W-2_73755605.pdb POLG_DEN1W-3_73755605.pdb
74937125	-10.1	-10.3	-11.5	-10.1	-10.3	-11.6	-10.7±0.7	R728, Y765, G465, K466, S317, G349, Q350, T345, K456, K456	T605, I796, S795, T793, S709, M760, N609, D662, H710, L733, A410, R736, L511, C708, Y765, R728, Q741, Q350, G465, F464, K466, S317, G462, D344, V353, V413, T343, K459, G349, E458, A406, W794, W745, R791, S790, L461, K456, T345, V411, G409, G409	POLG_DEN1B-1_74937125.pdb POLG_DEN1B-2_74937125.pdb POLG_DEN1B-3_74937125.pdb POLG_DEN1W-1_74937125.pdb POLG_DEN1W-2_74937125.pdb POLG_DEN1W-3_74937125.pdb
91050728	-10.5	-9.9	-11.5	-10.5	-10.0	-11.5	-10.7±0.7	T793, T792, Q741, W794, S790, T345, S318, S315, T343, T343	K459, W794, T793, T792, Q741, M760, R457, L733, V411, F412, R736, V739, Y757, R728, R791, E415, A410, V413, G409, E458, K456, S318, W745, S790, G742, S315, A407, T345, N416, T343, T343	POLG_DEN1B-1_91050728.pdb POLG_DEN1B-2_91050728.pdb POLG_DEN1B-3_91050728.pdb POLG_DEN1W-1_91050728.pdb POLG_DEN1W-2_91050728.pdb POLG_DEN1W-3_91050728.pdb
23631278	-10.8	-9.6	-11.6	-10.6	-9.6	-11.6	-10.6±0.9	T793, S709, Q741, S315, S315	I796, Q741, S795, W794, T793, S709, K459, V413, T605, D662, F412, R736, C708, D538, K466, S317, G462, V411, R352, E458, M319, S318, W745, S790, S315, A407, K456, N416, V739, A410	POLG_DEN1B-1_23631278.pdb POLG_DEN1B-2_23631278.pdb POLG_DEN1B-3_23631278.pdb POLG_DEN1W-1_23631278.pdb POLG_DEN1W-2_23631278.pdb POLG_DEN1W-3_23631278.pdb
317593	-10.9	-10.1	-10.9	-10.9	-10.1	-10.9	-10.6±0.4	T793, K466, S317, V413, R736, R736	K459, W794, T793, T792, Q741, R736, R457, A410, V411, F412, V413, V739, K466, S317, E415, N416, Q417, G742, L461, S315, K456, T345, S318, T343, G409, G409	POLG_DEN1B-1_317593.pdb POLG_DEN1B-2_317593.pdb POLG_DEN1B-3_317593.pdb POLG_DEN1W-1_317593.pdb POLG_DEN1W-2_317593.pdb POLG_DEN1W-3_317593.pdb
29224541	-11.7	-9.0	-11.2	-11.7	-8.9	-11.3	-10.6±1.3	W794, T793, S317, V413, E458, E458	K459, S795, S318, T793, T792, Q741, E732, M760, R457, L733, W794, F412, R736, V739, R728, G465, F464, K466, M454, E415, S317, A410, R352, Q350, V413, E458, G742, Y757, S790, L461, M319, K456, V411, E463, G409	POLG_DEN1B-1_29224541.pdb POLG_DEN1B-2_29224541.pdb POLG_DEN1B-3_29224541.pdb POLG_DEN1W-1_29224541.pdb POLG_DEN1W-2_29224541.pdb POLG_DEN1W-3_29224541.pdb
30870527	-9.8	-9.7	-12.2	-10.0	-9.9	-12.2	-10.6±1.2	S709, Q417, S317, E458, S318, A410, C708, T793	K459, S795, W794, T793, T792, Q741, M760, R457, F412, R736, L511, Y757, H710, R728, S709, G742, W745, R791, S790, G465, F464, K466, S317, S313, Q417, A410, G409, E458, T343, L461, N416, S318, V411, I796, C708	POLG_DEN1B-1_30870527.pdb POLG_DEN1B-2_30870527.pdb POLG_DEN1B-3_30870527.pdb POLG_DEN1W-1_30870527.pdb POLG_DEN1W-2_30870527.pdb POLG_DEN1W-3_30870527.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
56670454	-11.2	-12.1	-9.4	-11.2	-12.1	-9.4	-11.2	-9.4	-12.1	-11.3	-12.2	-9.4	-11.2	-12.1	-9.4	-11.2	-12.1	-9.4	-10.9±1.2	T413, E458, G742, S315, F464, F464	T793, T792, M760, T413, K456, R457, E415, L733, E732, I411, R736, I739, R728, E458, Q741, G742, S318, Y757, W745, K459, S740, T343, L461, S315, T345, N416, W794, G465, F464, K466, S317, A410, F412, F412	POLG_DEN2J-1_56670454.pdb POLG_DEN2J-2_56670454.pdb POLG_DEN2J-3_56670454.pdb POLG_DEN2N-1_56670454.pdb POLG_DEN2N-2_56670454.pdb POLG_DEN2N-3_56670454.pdb POLG_DEN2P-1_56670454.pdb POLG_DEN2P-2_56670454.pdb POLG_DEN2P-3_56670454.pdb POLG_DEN26-1_56670454.pdb POLG_DEN26-2_56670454.pdb POLG_DEN26-3_56670454.pdb POLG_DEN27-1_56670454.pdb POLG_DEN27-2_56670454.pdb POLG_DEN27-3_56670454.pdb POLG_DEN28-1_56670454.pdb POLG_DEN28-2_56670454.pdb POLG_DEN28-3_56670454.pdb
53019145	-12.4	-11.3	-9.0	-12.5	-11.3	-8.9	-12.5	-9.0	-11.3	-12.5	-11.3	-8.9	-12.5	-11.3	-8.9	-12.5	-11.3	-8.9	-10.9±1.5	T793, R728, T413, A410, C708, R736, R736, A743, Q741, Q741	Q741, S795, W794, T793, M760, T413, R457, E415, A410, H710, F412, R736, L511, Y765, R728, I411, E458, G742, Y757, R791, L461, K456, S318, I739, G409, S709, L733, E732, C708, T792, T792, G465, F464, K466, G314, T313, R352, Q312, Q312	POLG_DEN2J-1_53019145.pdb POLG_DEN2J-2_53019145.pdb POLG_DEN2J-3_53019145.pdb POLG_DEN2N-1_53019145.pdb POLG_DEN2N-2_53019145.pdb POLG_DEN2N-3_53019145.pdb POLG_DEN2P-1_53019145.pdb POLG_DEN2P-2_53019145.pdb POLG_DEN2P-3_53019145.pdb POLG_DEN26-1_53019145.pdb POLG_DEN26-2_53019145.pdb POLG_DEN26-3_53019145.pdb POLG_DEN27-1_53019145.pdb POLG_DEN27-2_53019145.pdb POLG_DEN27-3_53019145.pdb POLG_DEN28-1_53019145.pdb POLG_DEN28-2_53019145.pdb POLG_DEN28-3_53019145.pdb
6129824	-11.4	-11.9	-9.3	-11.4	-11.9	-9.5	-11.5	-9.5	-11.9	-11.4	-11.9	-9.2	-11.7	-11.9	-9.4	-11.4	-11.9	-9.2	-10.9±1.2	E415, S795, T413, S318, R791, T343, Q741, K466, R736, D344, W794, R728	Q741, G742, S318, K459, T413, S795, R457, E415, W794, I411, F412, R736, I739, I796, E458, T793, T792, R791, S315, S790, K456, N416, T343, Y757, W745, G465, K466, T313, K417, A410, R352, Q350, D344, G349, F464, V353, G462, M340, E463, P347, M342, H797, C708, S709, H710, R728	POLG_DEN2J-1_6129824.pdb POLG_DEN2J-2_6129824.pdb POLG_DEN2J-3_6129824.pdb POLG_DEN2N-1_6129824.pdb POLG_DEN2N-2_6129824.pdb POLG_DEN2N-3_6129824.pdb POLG_DEN2P-1_6129824.pdb POLG_DEN2P-2_6129824.pdb POLG_DEN2P-3_6129824.pdb POLG_DEN26-1_6129824.pdb POLG_DEN26-2_6129824.pdb POLG_DEN26-3_6129824.pdb POLG_DEN27-1_6129824.pdb POLG_DEN27-2_6129824.pdb POLG_DEN27-3_6129824.pdb POLG_DEN28-1_6129824.pdb POLG_DEN28-2_6129824.pdb POLG_DEN28-3_6129824.pdb
10228208	-11.2	-11.8	-9.6	-11.1	-11.8	-9.8	-11.1	-9.8	-11.8	-11.2	-11.8	-9.8	-11.2	-11.8	-9.8	-11.1	-11.8	-9.8	-10.9±0.9	T413, E458, M319, S318, G742, K456, G349, M342, T343, S790, S790	Q741, W794, R736, M454, K456, R457, D414, E415, F412, T413, E458, G742, S318, W745, R791, S790, T343, L461, A406, N416, A410, I411, I739, K459, Q350, G465, F464, K466, E463, G462, D344, P347, M342, G349, T313, T313	POLG_DEN2J-1_10228208.pdb POLG_DEN2J-2_10228208.pdb POLG_DEN2J-3_10228208.pdb POLG_DEN2N-1_10228208.pdb POLG_DEN2N-2_10228208.pdb POLG_DEN2N-3_10228208.pdb POLG_DEN2P-1_10228208.pdb POLG_DEN2P-2_10228208.pdb POLG_DEN2P-3_10228208.pdb POLG_DEN26-1_10228208.pdb POLG_DEN26-2_10228208.pdb POLG_DEN26-3_10228208.pdb POLG_DEN27-1_10228208.pdb POLG_DEN27-2_10228208.pdb POLG_DEN27-3_10228208.pdb POLG_DEN28-1_10228208.pdb POLG_DEN28-2_10228208.pdb POLG_DEN28-3_10228208.pdb
22556747	-11.0	-12.2	-10.0	-10.9	-12.2	-10.1	-11.0	-9.8	-12.2	-9.9	-12.2	-9.8	-10.9	-12.2	-9.8	-9.9	-12.2	-10.0	-10.9±1.0	Q741, S318, T792, E458, R736, E415, F464, F464, M342, G462, W794, T793, T793, R728	K459, S318, T793, T792, Q741, T413, R457, E415, L733, E732, R736, I739, R728, S740, G742, W745, R791, S790, S315, T345, W794, I411, E458, G409, G465, F464, K466, S317, A410, T313, K456, T343, E463, G462, D344, P347, M342, Q350, G349, S795, M340, S709	POLG_DEN2J-1_22556747.pdb POLG_DEN2J-2_22556747.pdb POLG_DEN2J-3_22556747.pdb POLG_DEN2N-1_22556747.pdb POLG_DEN2N-2_22556747.pdb POLG_DEN2N-3_22556747.pdb POLG_DEN2P-1_22556747.pdb POLG_DEN2P-2_22556747.pdb POLG_DEN2P-3_22556747.pdb POLG_DEN26-1_22556747.pdb POLG_DEN26-2_22556747.pdb POLG_DEN26-3_22556747.pdb POLG_DEN27-1_22556747.pdb POLG_DEN27-2_22556747.pdb POLG_DEN27-3_22556747.pdb POLG_DEN28-1_22556747.pdb POLG_DEN28-2_22556747.pdb POLG_DEN28-3_22556747.pdb
58928652	-10.8	-12.2	-9.8	-10.8	-12.2	-9.7	-10.8	-9.8	-12.2	-10.8	-12.2	-9.6	-10.8	-12.2	-9.8	-10.8	-12.2	-9.6	-10.9±1.0	T413, T345, G742, S318, S315, T343, R352, Q350, F464, Q741, R736	R736, M454, G455, K456, R457, F412, T413, Q741, G742, S318, R791, S317, S315, T345, N416, W794, I411, S790, G465, F464, K466, A410, R352, G409, W745, E415, Q350, E458, E458, G462, M340, M342	POLG_DEN2J-1_58928652.pdb POLG_DEN2J-2_58928652.pdb POLG_DEN2J-3_58928652.pdb POLG_DEN2N-1_58928652.pdb POLG_DEN2N-2_58928652.pdb POLG_DEN2N-3_58928652.pdb POLG_DEN2P-1_58928652.pdb POLG_DEN2P-2_58928652.pdb POLG_DEN2P-3_58928652.pdb POLG_DEN26-1_58928652.pdb POLG_DEN26-2_58928652.pdb POLG_DEN26-3_58928652.pdb POLG_DEN27-1_58928652.pdb POLG_DEN27-2_58928652.pdb POLG_DEN27-3_58928652.pdb POLG_DEN28-1_58928652.pdb POLG_DEN28-2_58928652.pdb POLG_DEN28-3_58928652.pdb
24548686	-11.3	-11.5	-10.2	-11.4	-11.5	-10.2	-10.6	-10.3	-11.5	-11.1	-11.5	-10.3	-11.3	-11.6	-9.8	-10.6	-11.5	-10.1	-10.9±0.6	R736, S790, G465, K466, S317, G462, G462, T793, T413, T413	H797, I796, S795, S318, T793, K459, T413, D663, D662, G742, S660, Q741, E415, I411, R736, R457, E458, W794, W745, S790, T345, K456, A407, A406, N416, A410, T343, G409, T792, Q350, T313, F464, K466, S317, E463, G462, D344, G465, V353, M342, M340, M340, S600, M760, M454, L733, E732, F412, R728, S709, L511, H710, I739, C708, Y765, Y765, G349, P347	POLG_DEN2J-1_24548686.pdb POLG_DEN2J-2_24548686.pdb POLG_DEN2J-3_24548686.pdb POLG_DEN2N-1_24548686.pdb POLG_DEN2N-2_24548686.pdb POLG_DEN2N-3_24548686.pdb POLG_DEN2P-1_24548686.pdb POLG_DEN2P-2_24548686.pdb POLG_DEN2P-3_24548686.pdb POLG_DEN26-1_24548686.pdb POLG_DEN26-2_24548686.pdb POLG_DEN26-3_24548686.pdb POLG_DEN27-1_24548686.pdb POLG_DEN27-2_24548686.pdb POLG_DEN27-3_24548686.pdb POLG_DEN28-1_24548686.pdb POLG_DEN28-2_24548686.pdb POLG_DEN28-3_24548686.pdb
37044488	-11.3	-11.7	-9.7	-11.3	-11.7	-9.7	-11.4	-9.7	-11.7	-11.4	-11.7	-9.5	-11.4	-11.7	-9.7	-11.3	-11.7	-9.7	-10.9±0.9	R457, T413, S315, R736, R736, T343	W794, Y451, N452, R736, M454, K456, R457, E415, I411, F412, T413, E458, Q741, M319, S318, W745, R791, S790, L461, T345, N416, T343, G409, G601, A410, R352, Q350, Q350, K459, K466, F464, S317, E463, G462, D344, I739, G349	POLG_DEN2J-1_37044488.pdb POLG_DEN2J-2_37044488.pdb POLG_DEN2J-3_37044488.pdb POLG_DEN2N-1_37044488.pdb POLG_DEN2N-2_37044488.pdb POLG_DEN2N-3_37044488.pdb POLG_DEN2P-1_37044488.pdb POLG_DEN2P-2_37044488.pdb POLG_DEN2P-3_37044488.pdb POLG_DEN26-1_37044488.pdb POLG_DEN26-2_37044488.pdb POLG_DEN26-3_37044488.pdb POLG_DEN27-1_37044488.pdb POLG_DEN27-2_37044488.pdb POLG_DEN27-3_37044488.pdb POLG_DEN28-1_37044488.pdb POLG_DEN28-2_37044488.pdb POLG_DEN28-3_37044488.pdb
58509782	-11.3	-10.4	-11.4	-11.3	-10.4	-11.3	-11.0	-10.8	-10.4	-11.0	-10.4	-11.2	-11.1	-10.4	-11.2	-11.1	-10.4	-11.2	-10.9±0.4	S709, S318, A410, I411, S315, T413, T313, Q741, S790, T793, F464, N416, R791, R791	Q741, T792, R736, D662, K456, R457, S709, I411, T413, R728, D538, G742, W794, T793, R791, S315, T345, N416, S318, A410, T343, S790, T313, K466, G314, G409, L408, W745, G465, G465, F464, M454, K459, L461, L461	POLG_DEN2J-1_58509782.pdb POLG_DEN2J-2_58509782.pdb POLG_DEN2J-3_58509782.pdb POLG_DEN2N-1_58509782.pdb POLG_DEN2N-2_58509782.pdb POLG_DEN2N-3_58509782.pdb POLG_DEN2P-1_58509782.pdb POLG_DEN2P-2_58509782.pdb POLG_DEN2P-3_58509782.pdb POLG_DEN26-1_58509782.pdb POLG_DEN26-2_58509782.pdb POLG_DEN26-3_58509782.pdb POLG_DEN27-1_58509782.pdb POLG_DEN27-2_58509782.pdb POLG_DEN27-3_58509782.pdb POLG_DEN28-1_58509782.pdb POLG_DEN28-2_58509782.pdb POLG_DEN28-3_58509782.pdb
55490607	-12.0	-11.6	-8.8	-12.0	-11.6	-9.5	-12.0	-9.0	-11.6	-12.0	-11.6	-9.5	-11.6	-11.6	-9.1	-11.6	-11.6	-9.6	-10.9±1.2	T413, R736, T345, K456, S318, W794, S315, K466, Q741, Q741, Y451	Q741, W794, T793, S600, Y451, N452, R736, M454, K456, R457, E415, F412, T413, I739, G601, G742, S318, W745, R791, S317, S315, T345, N416, A410, I411, T343, G409, S790, T313, K466, L408, L408, S795, S795	POLG_DEN2J-1_55490607.pdb POLG_DEN2J-2_55490607.pdb POLG_DEN2J-3_55490607.pdb POLG_DEN2N-1_55490607.pdb POLG_DEN2N-2_55490607.pdb POLG_DEN2N-3_55490607.pdb POLG_DEN2P-1_55490607.pdb POLG_DEN2P-2_55490607.pdb POLG_DEN2P-3_55490607.pdb POLG_DEN26-1_55490607.pdb POLG_DEN26-2_55490607.pdb POLG_DEN26-3_55490607.pdb POLG_DEN27-1_55490607.pdb POLG_DEN27-2_55490607.pdb POLG_DEN27-3_55490607.pdb POLG_DEN28-1_55490607.pdb POLG_DEN28-2_55490607.pdb POLG_DEN28-3_55490607.pdb
57483734	-11.8	-11.0	-9.7	-11.9	-11.3	-9.6	-11.9	-9.7	-11.2	-11.9	-11.1	-9.7	-11.8	-11.1	-9.7	-11.9	-11.1	-9.8	-10.9±0.9	S795, R728, S318, S315, T413, Q741, A743, T345, W794, K456, K456	Q741, S795, W794, C708, S709, K459, R736, G742, H710, E415, S318, I411, T413, T793, R457, T792, M319, A743, T313, Q312, S317, S315, G314, T345, K456, F412, I739, T343, K466, N416, E458, A406, W745, R791, S790, L461, A410, G409, K417, K417	POLG_DEN2J-1_57483734.pdb POLG_DEN2J-2_57483734.pdb POLG_DEN2J-3_57483734.pdb POLG_DEN2N-1_57483734.pdb POLG_DEN2N-2_57483734.pdb POLG_DEN2N-3_57483734.pdb POLG_DEN2P-1_57483734.pdb POLG_DEN2P-2_57483734.pdb POLG_DEN2P-3_57483734.pdb POLG_DEN26-1_57483734.pdb POLG_DEN26-2_57483734.pdb POLG_DEN26-3_57483734.pdb POLG_DEN27-1_57483734.pdb POLG_DEN27-2_57483734.pdb POLG_DEN27-3_57483734.pdb POLG_DEN28-1_57483734.pdb POLG_DEN28-2_57483734.pdb POLG_DEN28-3_57483734.pdb
66606315	-11.4	-11.4	-10.0	-11.4	-11.4	-10.0	-11.3	-10.0	-11.4	-11.3	-11.4	-10.1	-11.3	-11.4	-9.6	-11.3	-11.4	-10.1	-10.9±0.7	W794, T793, A407, E458, N416, A410, K466, K466, T313, S317	Q741, G742, W794, T793, S600, K459, R736, K456, R457, E415, S318, I411, F412, T413, I739, E458, W745, S790, E749, A407, A406, N416, A410, T792, T313, K466, K466, S740, S740, G465	POLG_DEN2J-1_66606315.pdb POLG_DEN2J-2_66606315.pdb POLG_DEN2J-3_66606315.pdb POLG_DEN2N-1_66606315.pdb POLG_DEN2N-2_66606315.pdb POLG_DEN2N-3_66606315.pdb POLG_DEN2P-1_66606315.pdb POLG_DEN2P-2_66606315.pdb POLG_DEN2P-3_66606315.pdb POLG_DEN26-1_66606315.pdb POLG_DEN26-2_66606315.pdb POLG_DEN26-3_66606315.pdb POLG_DEN27-1_66606315.pdb POLG_DEN27-2_66606315.pdb POLG_DEN27-3_66606315.pdb POLG_DEN28-1_66606315.pdb POLG_DEN28-2_66606315.pdb POLG_DEN28-3_66606315.pdb
60402567	-12.0	-11.0	-9.7	-11.9	-11.0	-9.7	-11.9	-9.8	-11.0	-11.9	-11.0	-9.7	-12.0	-11.0	-9.8	-11.9	-11.0	-9.8	-10.9±0.9	S795, W794, T793, I411, S315, T413, Q350, Q350, G742, G462	R457, Q741, S795, W794, T793, S709, E415, M760, T413, H710, I739, I411, R736, L511, Y765, R728, K456, S318, Q312, L461, G742, S315, N416, A410, F412, T343, Q350, G462, D344, V353, M342, M340, G349, G349, G465, F464, K466	POLG_DEN2J-1_60402567.pdb POLG_DEN2J-2_60402567.pdb POLG_DEN2J-3_60402567.pdb POLG_DEN2N-1_60402567.pdb POLG_DEN2N-2_60402567.pdb POLG_DEN2N-3_60402567.pdb POLG_DEN2P-1_60402567.pdb POLG_DEN2P-2_60402567.pdb POLG_DEN2P-3_60402567.pdb POLG_DEN26-1_60402567.pdb POLG_DEN26-2_60402567.pdb POLG_DEN26-3_60402567.pdb POLG_DEN27-1_60402567.pdb POLG_DEN27-2_60402567.pdb POLG_DEN27-3_60402567.pdb POLG_DEN28-1_60402567.pdb POLG_DEN28-2_60402567.pdb POLG_DEN28-3_60402567.pdb
71815441	-10.8	-11.2	-10.5	-10.7	-11.7	-10.5	-10.7	-10.5	-11.7	-10.7	-11.2	-10.5	-10.7	-11.2	-10.5	-10.7	-11.8	-10.5	-10.9±0.5	T793, Q741, K466, S317, W794, T345, T345, N416, G742, S315	R457, S795, T793, T792, M760, T413, K456, Y765, I411, R736, H710, R728, S709, E458, K459, G742, W794, R791, Q741, M319, S315, N416, A410, G409, W745, G465, F464, K466, S317, T313, F412, S790, L461, A406, T343, T343, A743, S318, Q350, R352, Q351, G601, S600	POLG_DEN2J-1_71815441.pdb POLG_DEN2J-2_71815441.pdb POLG_DEN2J-3_71815441.pdb POLG_DEN2N-1_71815441.pdb POLG_DEN2N-2_71815441.pdb POLG_DEN2N-3_71815441.pdb POLG_DEN2P-1_71815441.pdb POLG_DEN2P-2_71815441.pdb POLG_DEN2P-3_71815441.pdb POLG_DEN26-1_71815441.pdb POLG_DEN26-2_71815441.pdb POLG_DEN26-3_71815441.pdb POLG_DEN27-1_71815441.pdb POLG_DEN27-2_71815441.pdb POLG_DEN27-3_71815441.pdb POLG_DEN28-1_71815441.pdb POLG_DEN28-2_71815441.pdb POLG_DEN28-3_71815441.pdb
59986511	-10.7	-12.0	-9.9	-10.7	-12.0	-9.9	-10.8	-9.9	-12.0	-10.8	-12.0	-9.9	-10.8	-12.0	-9.9	-10.8	-12.0	-9.9	-10.9±0.9	S795, T793, W794, K357, S600, T413, T413	H797, Q741, S795, W794, T793, T792, I796, R736, R457, E415, I411, T413, C708, R791, S790, L461, K456, N416, T343, T313, K466, S317, G465, A410, F412, S600, M454, G455, K357, G536, D538, G742, S318, K459, I739, I739	POLG_DEN2J-1_59986511.pdb POLG_DEN2J-2_59986511.pdb POLG_DEN2J-3_59986511.pdb POLG_DEN2N-1_59986511.pdb POLG_DEN2N-2_59986511.pdb POLG_DEN2N-3_59986511.pdb POLG_DEN2P-1_59986511.pdb POLG_DEN2P-2_59986511.pdb POLG_DEN2P-3_59986511.pdb POLG_DEN26-1_59986511.pdb POLG_DEN26-2_59986511.pdb POLG_DEN26-3_59986511.pdb POLG_DEN27-1_59986511.pdb POLG_DEN27-2_59986511.pdb POLG_DEN27-3_59986511.pdb POLG_DEN28-1_59986511.pdb POLG_DEN28-2_59986511.pdb POLG_DEN28-3_59986511.pdb
57846923	-12.0	-11.3	-9.6	-12.0	-11.3	-9.2	-12.0	-9.2	-11.3	-12.1	-11.3	-9.2	-12.1	-11.3	-9.5	-12.1	-11.3	-9.2	-10.9±1.2	R457, R736, S315, T313, W794, F464, F464	Q741, S795, W794, Y757, S709, M760, R736, R457, E415, L733, T793, A410, T413, I739, C708, H710, R728, G742, S318, W745, R791, S790, M319, S315, T345, N416, A743, I411, T343, T313, F464, K466, S317, E463, G465, F412, R352, R352	POLG_DEN2J-1_57846923.pdb POLG_DEN2J-2_57846923.pdb POLG_DEN2J-3_57846923.pdb POLG_DEN2N-1_57846923.pdb POLG_DEN2N-2_57846923.pdb POLG_DEN2N-3_57846923.pdb POLG_DEN2P-1_57846923.pdb POLG_DEN2P-2_57846923.pdb POLG_DEN2P-3_57846923.pdb POLG_DEN26-1_57846923.pdb POLG_DEN26-2_57846923.pdb POLG_DEN26-3_57846923.pdb POLG_DEN27-1_57846923.pdb POLG_DEN27-2_57846923.pdb POLG_DEN27-3_57846923.pdb POLG_DEN28-1_57846923.pdb POLG_DEN28-2_57846923.pdb POLG_DEN28-3_57846923.pdb
15952938	-12.7	-11.1	-8.9	-12.6	-11.1	-8.9	-12.6	-8.9	-11.1	-12.6	-11.1	-8.9	-12.6	-11.1	-8.9	-12.9	-11.1	-8.9	-10.9±1.6	E458, R457, T413, T345, I411, S315, R736, S600, S600	E458, G601, Y451, M454, G455, K456, R457, I411, F412, T413, Q741, S315, W794, T343, L461, G742, T345, R736, G409, S600, Q350, Q351, R352, R352	POLG_DEN2J-1_15952938.pdb POLG_DEN2J-2_15952938.pdb POLG_DEN2J-3_15952938.pdb POLG_DEN2N-1_15952938.pdb POLG_DEN2N-2_15952938.pdb POLG_DEN2N-3_15952938.pdb POLG_DEN2P-1_15952938.pdb POLG_DEN2P-2_15952938.pdb POLG_DEN2P-3_15952938.pdb POLG_DEN26-1_15952938.pdb POLG_DEN26-2_15952938.pdb POLG_DEN26-3_15952938.pdb POLG_DEN27-1_15952938.pdb POLG_DEN27-2_15952938.pdb POLG_DEN27-3_15952938.pdb POLG_DEN28-1_15952938.pdb POLG_DEN28-2_15952938.pdb POLG_DEN28-3_15952938.pdb
51035546	-11.7	-11.5	-9.6	-11.7	-11.5	-9.7	-11.7	-9.6	-11.5	-11.4	-11.2	-9.8	-11.5	-11.2	-9.6	-11.7	-11.5	-9.6	-10.9±0.9	G742, R728, T345, W794, K456, A743, S795, D344, K466, T343, T343, S318, S315, T413, G465, G349, Q350, S709	H797, I796, S795, W794, C708, S709, Q741, R736, G742, H710, E415, S318, I411, T413, T793, R457, K459, T792, E458, A406, W745, R791, S790, L461, K456, T345, A410, T343, G409, K466, N416, A743, F412, K417, G465, F464, Q350, G462, D344, T313, V353, G349, G349, M319, Q312, S317, S315, G314, I739, I739	POLG_DEN2J-1_51035546.pdb POLG_DEN2J-2_51035546.pdb POLG_DEN2J-3_51035546.pdb POLG_DEN2N-1_51035546.pdb POLG_DEN2N-2_51035546.pdb POLG_DEN2N-3_51035546.pdb POLG_DEN2P-1_51035546.pdb POLG_DEN2P-2_51035546.pdb POLG_DEN2P-3_51035546.pdb POLG_DEN26-1_51035546.pdb POLG_DEN26-2_51035546.pdb POLG_DEN26-3_51035546.pdb POLG_DEN27-1_51035546.pdb POLG_DEN27-2_51035546.pdb POLG_DEN27-3_51035546.pdb POLG_DEN28-1_51035546.pdb POLG_DEN28-2_51035546.pdb POLG_DEN28-3_51035546.pdb
25060903	-12.2	-11.2	-9.3	-12.2	-11.2	-9.2	-12.2	-9.2	-11.2	-12.2	-11.2	-9.3	-12.2	-11.2	-9.3	-12.2	-11.2	-9.2	-10.9±1.3	T793, D344, G349, G349	Q741, G742, S318, T793, R736, M454, S795, K456, R457, E415, W794, F412, T413, I739, G455, E458, T792, R791, K459, W745, S790, S315, A407, T345, N416, I411, T343, G409, L408, Q350, G462, D344, E732, V353, M340, G349, R728, R728	POLG_DEN2J-1_25060903.pdb POLG_DEN2J-2_25060903.pdb POLG_DEN2J-3_25060903.pdb POLG_DEN2N-1_25060903.pdb POLG_DEN2N-2_25060903.pdb POLG_DEN2N-3_25060903.pdb POLG_DEN2P-1_25060903.pdb POLG_DEN2P-2_25060903.pdb POLG_DEN2P-3_25060903.pdb POLG_DEN26-1_25060903.pdb POLG_DEN26-2_25060903.pdb POLG_DEN26-3_25060903.pdb POLG_DEN27-1_25060903.pdb POLG_DEN27-2_25060903.pdb POLG_DEN27-3_25060903.pdb POLG_DEN28-1_25060903.pdb POLG_DEN28-2_25060903.pdb POLG_DEN28-3_25060903.pdb
56599548	-12.5	-10.8	-9.3	-12.6	-10.9	-9.2	-12.5	-9.3	-10.8	-12.5	-10.9	-9.4	-12.5	-10.9	-9.2	-12.6	-10.8	-9.2	-10.9±1.4	T413, G742, S318, R457, I411, A410, S790, W794, L408, W745, F464, S317, T343, T313, Q741, R352	K459, G742, S318, G601, Q741, Y451, N452, R736, M454, K456, R457, E415, I411, F412, T413, I739, E458, M319, W794, W745, L461, S315, N416, R791, S790, G465, F464, K466, K417, A410, R352, G409, R481, A743, S317, E463, G462, D344, T313, P347, V353, M342, T343, G349, Q350	POLG_DEN2J-1_56599548.pdb POLG_DEN2J-2_56599548.pdb POLG_DEN2J-3_56599548.pdb POLG_DEN2N-1_56599548.pdb POLG_DEN2N-2_56599548.pdb POLG_DEN2N-3_56599548.pdb POLG_DEN2P-1_56599548.pdb POLG_DEN2P-2_56599548.pdb POLG_DEN2P-3_56599548.pdb POLG_DEN26-1_56599548.pdb POLG_DEN26-2_56599548.pdb POLG_DEN26-3_56599548.pdb POLG_DEN27-1_56599548.pdb POLG_DEN27-2_56599548.pdb POLG_DEN27-3_56599548.pdb POLG_DEN28-1_56599548.pdb POLG_DEN28-2_56599548.pdb POLG_DEN28-3_56599548.pdb
46885243	-11.4	-11.8	-9.9	-11.4	-11.8	-9.9	-10.8	-9.9	-11.9	-11.2	-11.8	-9.9	-11.2	-11.8	-9.9	-10.0	-11.3	-9.9	-10.9±0.8	Y451, T792, E749, K456, G465, K466, K466, W794, T793, R481, R457, R457, M454, S709, I411, R791, R736	Q741, M453, T793, T792, Y451, R736, M454, K456, R457, I411, F412, T413, S600, W794, W745, R791, S790, E749, T789, A407, A406, G409, F464, K466, S317, K357, G601, N452, G455, A410, D414, W477, R481, I796, S709, G742, S318, L461, T345, N416, T343, I739	POLG_DEN2J-1_46885243.pdb POLG_DEN2J-2_46885243.pdb POLG_DEN2J-3_46885243.pdb POLG_DEN2N-1_46885243.pdb POLG_DEN2N-2_46885243.pdb POLG_DEN2N-3_46885243.pdb POLG_DEN2P-1_46885243.pdb POLG_DEN2P-2_46885243.pdb POLG_DEN2P-3_46885243.pdb POLG_DEN26-1_46885243.pdb POLG_DEN26-2_46885243.pdb POLG_DEN26-3_46885243.pdb POLG_DEN27-1_46885243.pdb POLG_DEN27-2_46885243.pdb POLG_DEN27-3_46885243.pdb POLG_DEN28-1_46885243.pdb POLG_DEN28-2_46885243.pdb POLG_DEN28-3_46885243.pdb
25070620	-10.5	-12.2	-9.9	-10.5	-12.2	-10.0	-10.5	-9.9	-12.2	-10.5	-12.2	-9.9	-10.5	-12.2	-9.9	-10.5	-12.2	-10.0	-10.9±1.0	C708, R728, W794, S315, S317, S790, S790	I796, S795, T793, T792, T413, R457, I411, F412, R736, C708, H710, R728, S709, Q741, M319, S318, S317, G742, S315, N416, A743, A410, W794, T343, W745, S790, G409, G409, T313, K466	POLG_DEN2J-1_25070620.pdb POLG_DEN2J-2_25070620.pdb POLG_DEN2J-3_25070620.pdb POLG_DEN2N-1_25070620.pdb POLG_DEN2N-2_25070620.pdb POLG_DEN2N-3_25070620.pdb POLG_DEN2P-1_25070620.pdb POLG_DEN2P-2_25070620.pdb POLG_DEN2P-3_25070620.pdb POLG_DEN26-1_25070620.pdb POLG_DEN26-2_25070620.pdb POLG_DEN26-3_25070620.pdb POLG_DEN27-1_25070620.pdb POLG_DEN27-2_25070620.pdb POLG_DEN27-3_25070620.pdb POLG_DEN28-1_25070620.pdb POLG_DEN28-2_25070620.pdb POLG_DEN28-3_25070620.pdb
99173128	-11.6	-11.6	-9.4	-11.6	-11.6	-9.4	-11.7	-9.4	-11.6	-11.6	-11.6	-9.4	-11.6	-11.6	-9.4	-11.7	-11.6	-9.4	-10.9±1.1	S318, I411, R457, S315, K466, E415, E415, Q741, W794, A410, S790, L408	K459, W794, Q741, R736, M454, G455, K456, R457, E415, A410, I411, F412, T343, T413, E458, S318, W745, R791, S790, T792, G465, F464, K466, S317, T313, K417, L408, S795, S795, G409	POLG_DEN2J-1_99173128.pdb POLG_DEN2J-2_99173128.pdb POLG_DEN2J-3_99173128.pdb POLG_DEN2N-1_99173128.pdb POLG_DEN2N-2_99173128.pdb POLG_DEN2N-3_99173128.pdb POLG_DEN2P-1_99173128.pdb POLG_DEN2P-2_99173128.pdb POLG_DEN2P-3_99173128.pdb POLG_DEN26-1_99173128.pdb POLG_DEN26-2_99173128.pdb POLG_DEN26-3_99173128.pdb POLG_DEN27-1_99173128.pdb POLG_DEN27-2_99173128.pdb POLG_DEN27-3_99173128.pdb POLG_DEN28-1_99173128.pdb POLG_DEN28-2_99173128.pdb POLG_DEN28-3_99173128.pdb
68561665	-11.4	-11.6	-10.0	-11.1	-11.5	-10.1	-11.1	-10.1	-11.6	-11.1	-11.5	-9.5	-11.1	-11.5	-10.0	-11.1	-11.5	-10.0	-10.9±0.7	T413, S318, A410, I411, S709, S709, K466	G455, F412, M454, K460, K456, R457, D414, E415, N416, W477, W474, T413, S600, I411, Q741, S318, W745, R791, S790, L461, S315, W794, T343, G409, G601, Q350, G465, F464, K466, R352, Q351, S795, T793, S709, R736, I739, C708, H710, R728, R728, S317, E463, G462, D344, K417, M342, A410	POLG_DEN2J-1_68561665.pdb POLG_DEN2J-2_68561665.pdb POLG_DEN2J-3_68561665.pdb POLG_DEN2N-1_68561665.pdb POLG_DEN2N-2_68561665.pdb POLG_DEN2N-3_68561665.pdb POLG_DEN2P-1_68561665.pdb POLG_DEN2P-2_68561665.pdb POLG_DEN2P-3_68561665.pdb POLG_DEN26-1_68561665.pdb POLG_DEN26-2_68561665.pdb POLG_DEN26-3_68561665.pdb POLG_DEN27-1_68561665.pdb POLG_DEN27-2_68561665.pdb POLG_DEN27-3_68561665.pdb POLG_DEN28-1_68561665.pdb POLG_DEN28-2_68561665.pdb POLG_DEN28-3_68561665.pdb
24320265	-11.1	-11.4	-9.9	-11.4	-11.4	-9.9	-11.1	-9.9	-11.4	-11.5	-11.4	-9.9	-11.4	-11.4	-9.9	-11.4	-11.4	-9.9	-10.9±0.7	S795, T793, S709, R728, E458, G742, S318, S315, W745, R457, R736, R736	R457, Q741, S795, T793, S709, M760, T413, K456, Y765, R736, L511, H710, R728, G742, A743, W794, L461, M319, S315, N416, S318, A410, I411, G409, G465, W745, R791, S790, T313, F464, K466, S317, E415, L408, T792, E458, E458	POLG_DEN2J-1_24320265.pdb POLG_DEN2J-2_24320265.pdb POLG_DEN2J-3_24320265.pdb POLG_DEN2N-1_24320265.pdb POLG_DEN2N-2_24320265.pdb POLG_DEN2N-3_24320265.pdb POLG_DEN2P-1_24320265.pdb POLG_DEN2P-2_24320265.pdb POLG_DEN2P-3_24320265.pdb POLG_DEN26-1_24320265.pdb POLG_DEN26-2_24320265.pdb POLG_DEN26-3_24320265.pdb POLG_DEN27-1_24320265.pdb POLG_DEN27-2_24320265.pdb POLG_DEN27-3_24320265.pdb POLG_DEN28-1_24320265.pdb POLG_DEN28-2_24320265.pdb POLG_DEN28-3_24320265.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
67063656	-10.5	-10.0	-9.8	-9.4	-9.2	-10.7	-9.9±0.6
2947808	-9.5	-10.6	-9.8	-9.7	-9.0	-11.0	-9.9±0.7
11612450	-10.1	-10.0	-9.5	-9.5	-8.9	-11.6	-9.9±0.9
16555519	-9.8	-10.9	-9.4	-9.3	-8.8	-11.4	-9.9±1.0
25173261	-9.7	-10.7	-9.7	-9.4	-8.6	-11.5	-9.9±1.0
58044822	-10.0	-9.7	-10.1	-10.0	-8.7	-11.1	-9.9±0.8
4710567	-9.8	-10.7	-9.4	-9.5	-8.7	-11.4	-9.9±1.0
11596742	-9.3	-11.1	-8.9	-8.9	-9.8	-11.5	-9.9±1.1
22063077	-10.6	-10.5	-9.5	-9.4	-8.8	-10.7	-9.9±0.8
24671752	-10.2	-10.8	-7.7	-9.1	-9.3	-12.4	-9.9±1.6
50829906	-10.2	-10.9	-9.4	-8.6	-9.2	-11.2	-9.9±1.0
53098094	-10.5	-9.5	-9.8	-9.8	-9.0	-10.9	-9.9±0.7
55441779	-10.5	-9.3	-9.3	-9.4	-9.0	-12.0	-9.9±1.1
58064137	-10.6	-10.1	-9.5	-8.8	-9.1	-11.4	-9.9±1.0
59986507	-11.2	-10.1	-9.4	-9.8	-8.5	-10.5	-9.9±0.9
60402551	-10.1	-10.1	-9.5	-9.6	-9.5	-10.7	-9.9±0.5
67718483	-9.5	-10.3	-9.6	-10.2	-9.1	-10.8	-9.9±0.6
68637709	-11.1	-9.7	-10.1	-10.2	-8.6	-9.8	-9.9±0.8
5779501	-9.5	-10.7	-9.6	-9.6	-9.0	-11.0	-9.9±0.8
46377849	-10.4	-9.9	-9.8	-9.1	-9.9	-10.3	-9.9±0.5
54127944	-10.4	-10.3	-9.6	-9.5	-9.3	-10.3	-9.9±0.5
57483762	-10.4	-10.2	-10.3	-10.1	-8.4	-10.0	-9.9±0.7
57878320	-10.3	-10.2	-9.3	-9.8	-9.1	-10.7	-9.9±0.6
58064300	-10.7	-10.3	-9.5	-9.1	-8.3	-11.5	-9.9±1.2
66604901	-9.8	-10.3	-9.8	-9.6	-9.0	-10.9	-9.9±0.6

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
58550574	-11.9	-11.7	-9.7	-11.2	-11.9	-9.7	-11.0	-11.7	-11.7	-11.2±0.9	E458, S318	S796, W795, T794, T793, F412, E415, Y758, M761, G455, H711, S710, E414, K456, L734, R737, R457, R729, I740, R792, F464, Q742, K460, A407, W418, G409, E458, L340, S600, M453, M454, V353, Q350, V358, N452, S318, I797, K459, D664, A410, V411, Q413	POLG_DEN4D-1_58550574.pdb POLG_DEN4D-2_58550574.pdb POLG_DEN4D-3_58550574.pdb POLG_DEN4P-1_58550574.pdb POLG_DEN4P-2_58550574.pdb POLG_DEN4P-3_58550574.pdb POLG_DEN4T-1_58550574.pdb POLG_DEN4T-2_58550574.pdb POLG_DEN4T-3_58550574.pdb
10228015	-11.2	-12.3	-9.8	-11.3	-11.2	-9.9	-11.2	-12.2	-11.3	-11.2±0.9	E415, Q413, T345, Q742, Q416, S315, S318, K460, S317, T343, R737	E458, S796, T794, F412, K459, M761, Y766, G455, H711, R457, E414, E415, K456, R737, Q413, L511, R729, W795, A744, M319, F464, Q742, S315, G462, Q416, G314, W418, I740, S318, R792, L461, K460, N405, T343, S317, T345, G409, I408, I408, A410	POLG_DEN4D-1_10228015.pdb POLG_DEN4D-2_10228015.pdb POLG_DEN4D-3_10228015.pdb POLG_DEN4P-1_10228015.pdb POLG_DEN4P-2_10228015.pdb POLG_DEN4P-3_10228015.pdb POLG_DEN4T-1_10228015.pdb POLG_DEN4T-2_10228015.pdb POLG_DEN4T-3_10228015.pdb
39906246	-11.7	-10.9	-10.6	-11.0	-11.7	-10.5	-11.0	-11.4	-11.6	-11.2±0.5	R729, R737, K456, K456	S796, W795, T794, F412, M761, Y766, G455, A799, S710, E414, K456, H711, R737, L511, R457, R729, F464, Q742, L340, W418, I740, K459, R792, K460, D344, T345, V353, Q350, E458, E458, N452, M453, M454, Q416, S600, S600, S741, S318, A744, M319, S315, G314, E415, C709	POLG_DEN4D-1_39906246.pdb POLG_DEN4D-2_39906246.pdb POLG_DEN4D-3_39906246.pdb POLG_DEN4P-1_39906246.pdb POLG_DEN4P-2_39906246.pdb POLG_DEN4P-3_39906246.pdb POLG_DEN4T-1_39906246.pdb POLG_DEN4T-2_39906246.pdb POLG_DEN4T-3_39906246.pdb
58064300	-10.5	-12.7	-9.6	-11.7	-10.5	-9.7	-11.6	-12.7	-11.4	-11.2±1.2	Q742, T794, T793, Y758, R792, T345, S318, S317, S315, T343, T343	E458, K459, Q742, T794, F412, G455, K456, S710, E414, E415, R737, R457, I740, W795, S318, T793, R792, K460, L754, F464, Y758, L461, G462, T343, W418, S741, S315, T345, L340, R729, S317, Q416, G409, I408, E733, I797, S796, M454, V411, Q413	POLG_DEN4D-1_58064300.pdb POLG_DEN4D-2_58064300.pdb POLG_DEN4D-3_58064300.pdb POLG_DEN4P-1_58064300.pdb POLG_DEN4P-2_58064300.pdb POLG_DEN4P-3_58064300.pdb POLG_DEN4T-1_58064300.pdb POLG_DEN4T-2_58064300.pdb POLG_DEN4T-3_58064300.pdb
60402580	-11.7	-11.8	-9.4	-10.9	-11.4	-9.4	-12.0	-11.9	-11.9	-11.2±1.1	R737, Q742, S318, E458, E458, K456, R792	I740, S796, W795, T794, T793, F412, K459, M761, M454, Q742, H711, S710, G455, K456, R737, R457, R729, S318, A744, M319, F464, S315, T343, W418, E458, S741, R792, K460, D344, V353, N452, M453, A406, G409, T345, S791, Q416, G417, N405, E415	POLG_DEN4D-1_60402580.pdb POLG_DEN4D-2_60402580.pdb POLG_DEN4D-3_60402580.pdb POLG_DEN4P-1_60402580.pdb POLG_DEN4P-2_60402580.pdb POLG_DEN4P-3_60402580.pdb POLG_DEN4T-1_60402580.pdb POLG_DEN4T-2_60402580.pdb POLG_DEN4T-3_60402580.pdb
68698167	-11.1	-12.4	-10.0	-10.9	-11.2	-9.9	-10.9	-12.3	-11.7	-11.2±0.9	G455, S710, E415, S315, T345, T343, S318	E458, S796, T794, T793, C709, K459, M454, G455, K456, S710, E414, E415, R737, R457, F412, R729, W795, A744, T345, F464, S317, Q742, S315, A407, Q416, G417, T343, W418, G409, S318, R792, M319, L461, K460, S741, I408, I408, G601, Y451, N452, W477, R481	POLG_DEN4D-1_68698167.pdb POLG_DEN4D-2_68698167.pdb POLG_DEN4D-3_68698167.pdb POLG_DEN4P-1_68698167.pdb POLG_DEN4P-2_68698167.pdb POLG_DEN4P-3_68698167.pdb POLG_DEN4T-1_68698167.pdb POLG_DEN4T-2_68698167.pdb POLG_DEN4T-3_68698167.pdb
20765438	-11.8	-11.2	-9.3	-12.0	-11.8	-9.3	-12.0	-11.2	-11.8	-11.2±1.1	W795, T794, G455, A407, R457, R737, T343, E458, K459, R792	E458, K459, W795, T794, K456, R457, E414, E415, V411, F412, F464, G455, Q742, A407, K460, W418, S318, R737, S315, D344, T345, T343, G601, R792, I408, G409, S600, I797, Q602, L461	POLG_DEN4D-1_20765438.pdb POLG_DEN4D-2_20765438.pdb POLG_DEN4D-3_20765438.pdb POLG_DEN4P-1_20765438.pdb POLG_DEN4P-2_20765438.pdb POLG_DEN4P-3_20765438.pdb POLG_DEN4T-1_20765438.pdb POLG_DEN4T-2_20765438.pdb POLG_DEN4T-3_20765438.pdb
51038723	-11.3	-11.5	-10.3	-11.4	-11.3	-10.3	-11.4	-11.6	-11.3	-11.2±0.5	K357, S318, G455, Q742, R792, R792, Q350, Q350	I740, K459, W795, S318, G455, F412, Y451, M453, M454, Q742, K456, R457, E414, K357, R737, T343, E458, A744, R792, S791, F464, S315, A407, E415, M319, W418, L461, K460, N405, G601, N452, Q416, Q350, G409, S600, S600	POLG_DEN4D-1_51038723.pdb POLG_DEN4D-2_51038723.pdb POLG_DEN4D-3_51038723.pdb POLG_DEN4P-1_51038723.pdb POLG_DEN4P-2_51038723.pdb POLG_DEN4P-3_51038723.pdb POLG_DEN4T-1_51038723.pdb POLG_DEN4T-2_51038723.pdb POLG_DEN4T-3_51038723.pdb
60481456	-11.4	-11.9	-10.0	-10.9	-11.0	-10.0	-11.1	-11.9	-12.2	-11.2±0.8	W795, T794, R737, Q742, S318, L461, Q416, T343, E458, M454, K456, R457	I797, S796, W795, T794, C709, V411, M761, H711, S710, E414, A410, K456, R737, R457, F412, R729, I740, S741, S318, A744, T345, F464, Y758, S317, Q742, S315, A407, E415, Q416, T343, T793, W418, K459, R792, M319, L461, K460, G409, E458, E458, G455, Y766, E733, L340, Q413, L511, N452, M453, M454, A406, I408, S600	POLG_DEN4D-1_60481456.pdb POLG_DEN4D-2_60481456.pdb POLG_DEN4D-3_60481456.pdb POLG_DEN4P-1_60481456.pdb POLG_DEN4P-2_60481456.pdb POLG_DEN4P-3_60481456.pdb POLG_DEN4T-1_60481456.pdb POLG_DEN4T-2_60481456.pdb POLG_DEN4T-3_60481456.pdb
56085277	-11.6	-12.7	-9.6	-10.4	-11.7	-9.6	-10.6	-12.6	-11.6	-11.2±1.2	E415, T794, T345, S315, Q742, L461, Q416, Q416	E458, K459, W795, T794, F412, M761, G455, K456, R457, E414, E415, A410, L734, R737, Q413, L511, R729, G314, A744, T345, F464, L461, Q742, S315, G462, A407, Q416, K460, T343, W418, G409, S318, R792, L340, V411, I408, I740, Y766	POLG_DEN4D-1_56085277.pdb POLG_DEN4D-2_56085277.pdb POLG_DEN4D-3_56085277.pdb POLG_DEN4P-1_56085277.pdb POLG_DEN4P-2_56085277.pdb POLG_DEN4P-3_56085277.pdb POLG_DEN4T-1_56085277.pdb POLG_DEN4T-2_56085277.pdb POLG_DEN4T-3_56085277.pdb
56025347	-10.7	-13.0	-9.0	-11.7	-10.6	-9.8	-11.7	-13.0	-10.8	-11.1±1.3	R737, R457, T345, Q742, S318, T343, T794, R729, W795, G601, G601	I740, S796, W795, T794, T793, K459, M761, Q742, S710, S318, R737, R457, R729, M319, T345, F464, S317, S315, G462, E415, T343, W418, E458, W762, Y758, E733, L340, L734, G601, S600, Y451, N452, M453, M454, K456, G409, I408, R792, L461, K460, C709, D664, G455, E414, V411, F412, Q413, H798	POLG_DEN4D-1_56025347.pdb POLG_DEN4D-2_56025347.pdb POLG_DEN4D-3_56025347.pdb POLG_DEN4P-1_56025347.pdb POLG_DEN4P-2_56025347.pdb POLG_DEN4P-3_56025347.pdb POLG_DEN4T-1_56025347.pdb POLG_DEN4T-2_56025347.pdb POLG_DEN4T-3_56025347.pdb
11999940	-11.1	-11.0	-10.2	-11.5	-11.0	-10.2	-11.5	-12.5	-11.3	-11.1±0.7	E458, E414, M454, Q742, K460, S318, R457, R457	E458, S796, K459, Y451, M453, M454, G455, K456, R457, E414, F412, S710, W795, R792, S791, F464, Q742, K460, G417, W418, S318, L461, A407, Q416, Q350, G409, R729, A744, A406, S317, S315, E415, M319, I797, D663, W537, A410, V411, R737	POLG_DEN4D-1_11999940.pdb POLG_DEN4D-2_11999940.pdb POLG_DEN4D-3_11999940.pdb POLG_DEN4P-1_11999940.pdb POLG_DEN4P-2_11999940.pdb POLG_DEN4P-3_11999940.pdb POLG_DEN4T-1_11999940.pdb POLG_DEN4T-2_11999940.pdb POLG_DEN4T-3_11999940.pdb
53019143	-11.6	-12.1	-9.9	-10.9	-11.6	-9.6	-10.9	-12.1	-11.6	-11.1±0.9	T794, Q413, Q742, K460, R737, T345, T345, Q416	S796, W795, T794, F412, K459, Q742, K456, S710, E414, E415, R737, Q413, G455, F464, K460, G462, L340, R457, W418, I740, T793, R792, E458, R729, S318, Q416, V411, V411, T345	POLG_DEN4D-1_53019143.pdb POLG_DEN4D-2_53019143.pdb POLG_DEN4D-3_53019143.pdb POLG_DEN4P-1_53019143.pdb POLG_DEN4P-2_53019143.pdb POLG_DEN4P-3_53019143.pdb POLG_DEN4T-1_53019143.pdb POLG_DEN4T-2_53019143.pdb POLG_DEN4T-3_53019143.pdb
58117326	-11.2	-11.5	-10.8	-10.9	-11.2	-11.0	-11.0	-11.5	-11.2	-11.1±0.2	R737, S710, Q742, T343, R792, Q416, Q416	E458, S796, W795, T794, T793, F412, M761, Y766, Q742, H711, S710, E414, R737, Q413, L511, R457, R729, A744, T345, A406, F464, S315, A407, E415, Q416, G417, T343, W418, G409, K459, S318, R792, M319, L461, K460, S741, K456, K456, V411, I740, G601, Y451, N452, M454, G455, W477, R481	POLG_DEN4D-1_58117326.pdb POLG_DEN4D-2_58117326.pdb POLG_DEN4D-3_58117326.pdb POLG_DEN4P-1_58117326.pdb POLG_DEN4P-2_58117326.pdb POLG_DEN4P-3_58117326.pdb POLG_DEN4T-1_58117326.pdb POLG_DEN4T-2_58117326.pdb POLG_DEN4T-3_58117326.pdb
67023384	-10.8	-12.0	-10.3	-11.5	-10.8	-10.3	-11.6	-12.0	-11.0	-11.1±0.7	K459, W795, S710, R729, W418, Q742, S318, K460, M319, N452, M454, R457, R457	S796, W795, T794, T793, E415, K459, M761, Y766, Q742, A799, S710, L511, R737, W803, R729, E750, R792, A406, F464, A407, G743, G417, W418, T419, E458, M319, L461, K460, S318, G601, N452, M454, K456, R457, I408, S600, S600, I797, C709, E414, A410, V411, H798, F412	POLG_DEN4D-1_67023384.pdb POLG_DEN4D-2_67023384.pdb POLG_DEN4D-3_67023384.pdb POLG_DEN4P-1_67023384.pdb POLG_DEN4P-2_67023384.pdb POLG_DEN4P-3_67023384.pdb POLG_DEN4T-1_67023384.pdb POLG_DEN4T-2_67023384.pdb POLG_DEN4T-3_67023384.pdb
44251670	-11.2	-12.3	-9.4	-11.1	-11.3	-9.8	-11.1	-12.3	-11.8	-11.1±1.0	T794, Q742, R737, K456, R792	S796, K456, T794, M761, Y766, G455, A799, S710, E414, L734, F412, L511, R457, R729, W795, S318, A744, M319, F464, Q742, S315, E415, Q416, W418, E458, S741, T343, T345, V353, K460, Q350, G601, S600, M454, G409, I740, R792, K459, L461, R737, D344, Y606, N609, D663, A410, V411, Q413, D538	POLG_DEN4D-1_44251670.pdb POLG_DEN4D-2_44251670.pdb POLG_DEN4D-3_44251670.pdb POLG_DEN4P-1_44251670.pdb POLG_DEN4P-2_44251670.pdb POLG_DEN4P-3_44251670.pdb POLG_DEN4T-1_44251670.pdb POLG_DEN4T-2_44251670.pdb POLG_DEN4T-3_44251670.pdb
44178168	-12.5	-11.3	-9.7	-11.1	-12.5	-9.7	-10.9	-10.7	-11.8	-11.1±1.0	E415, W795, T794, Y766, S315, R457, Q742, Q742, T343	E458, S796, W795, T794, G455, E415, K459, M454, M761, Y766, Q742, A799, R457, E414, K456, H711, F412, L511, R729, S318, A744, R792, T345, F464, S317, S315, A407, G417, T343, G314, W418, M319, L461, K460, R737, I740, S741, Q416, Q416, S791, T790, A406, I797, D664, D663, G662, S710, Y606, A410, V411, Q413	POLG_DEN4D-1_44178168.pdb POLG_DEN4D-2_44178168.pdb POLG_DEN4D-3_44178168.pdb POLG_DEN4P-1_44178168.pdb POLG_DEN4P-2_44178168.pdb POLG_DEN4P-3_44178168.pdb POLG_DEN4T-1_44178168.pdb POLG_DEN4T-2_44178168.pdb POLG_DEN4T-3_44178168.pdb
53019026	-12.3	-11.6	-9.5	-10.6	-12.2	-9.5	-10.7	-11.6	-12.2	-11.1±1.1	F412, Q413, Q742, T345, Q416, K456	K459, W795, T794, T793, F412, M761, Q742, K456, R457, E415, A410, L734, R737, Q413, V411, R729, T345, F464, G455, L340, W418, E458, S318, M453, M454, K460, D344, V353, Q350, I740, G743, Q416, G601, N452, G409	POLG_DEN4D-1_53019026.pdb POLG_DEN4D-2_53019026.pdb POLG_DEN4D-3_53019026.pdb POLG_DEN4P-1_53019026.pdb POLG_DEN4P-2_53019026.pdb POLG_DEN4P-3_53019026.pdb POLG_DEN4T-1_53019026.pdb POLG_DEN4T-2_53019026.pdb POLG_DEN4T-3_53019026.pdb
58064137	-11.4	-12.5	-9.3	-11.3	-11.4	-9.4	-11.3	-12.4	-11.2	-11.1±1.1	Y451, T794, Q742, Y758, T345, S318, T343, T343	I797, S796, W795, Y451, N452, M454, G455, K456, R457, E414, E415, A410, F412, Q413, E458, I740, S741, S318, T793, R792, K460, L754, F464, Y758, L461, Q742, G462, R737, W418, T794, M761, S315, T345, L340, T343, R729, Q416, G409, I408, S710, Y606	POLG_DEN4D-1_58064137.pdb POLG_DEN4D-2_58064137.pdb POLG_DEN4D-3_58064137.pdb POLG_DEN4P-1_58064137.pdb POLG_DEN4P-2_58064137.pdb POLG_DEN4P-3_58064137.pdb POLG_DEN4T-1_58064137.pdb POLG_DEN4T-2_58064137.pdb POLG_DEN4T-3_58064137.pdb
16327670	-11.8	-11.9	-10.1	-10.6	-11.8	-10.1	-10.6	-11.8	-11.4	-11.1±0.8	Q413, T794, R729, T345, Q742, S315, K459, S318, Q416, S791, S791	S796, W795, T794, F412, M761, Y766, A799, S710, E414, L511, H711, R737, Q413, W803, R457, K456, R729, S318, R792, M319, T345, F464, S317, Q742, S315, A407, A406, G417, W418, G409, I740, K459, L461, K460, T343, E458, G743, A744, S791, E415, Q416, E750, I408, I408, G455	POLG_DEN4D-1_16327670.pdb POLG_DEN4D-2_16327670.pdb POLG_DEN4D-3_16327670.pdb POLG_DEN4P-1_16327670.pdb POLG_DEN4P-2_16327670.pdb POLG_DEN4P-3_16327670.pdb POLG_DEN4T-1_16327670.pdb POLG_DEN4T-2_16327670.pdb POLG_DEN4T-3_16327670.pdb
24548686	-11.3	-12.0	-9.6	-11.3	-11.3	-9.5	-11.3	-12.0	-11.8	-11.1±0.9	T794, Q742, Q742, R737	W795, T794, T793, F412, M761, M454, G455, K456, R457, E414, E733, L340, L734, R737, Q413, R729, S741, G743, A744, T345, T313, F464, Q742, S315, G314, E415, Q416, W418, I740, S796, K460, H711, S318, T343, E458, Y758, S317, G409, I408, K459, R792, L461, A407, V353, M319, C709, Y766, H798, D664, L511, S710	POLG_DEN4D-1_24548686.pdb POLG_DEN4D-2_24548686.pdb POLG_DEN4D-3_24548686.pdb POLG_DEN4P-1_24548686.pdb POLG_DEN4P-2_24548686.pdb POLG_DEN4P-3_24548686.pdb POLG_DEN4T-1_24548686.pdb POLG_DEN4T-2_24548686.pdb POLG_DEN4T-3_24548686.pdb
86608206	-11.6	-12.2	-8.9	-11.6	-11.6	-8.9	-11.6	-12.2	-11.5	-11.1±1.3	T794, E415, T345, E458, G409, K456, K456	I740, S796, W795, T794, G455, F412, K459, M454, Q742, K456, R457, E414, R737, A744, T345, F464, E415, Q416, L340, W418, E458, S318, K460, T343, G601, R792, A406, I408, G409, S600, S600	POLG_DEN4D-1_86608206.pdb POLG_DEN4D-2_86608206.pdb POLG_DEN4D-3_86608206.pdb POLG_DEN4P-1_86608206.pdb POLG_DEN4P-2_86608206.pdb POLG_DEN4P-3_86608206.pdb POLG_DEN4T-1_86608206.pdb POLG_DEN4T-2_86608206.pdb POLG_DEN4T-3_86608206.pdb
68700123	-11.2	-12.3	-9.2	-11.7	-11.2	-9.2	-11.5	-12.5	-11.2	-11.1±1.2	E458, Q742, R792, S318, R457, R457	E458, S796, W795, T794, F412, K459, K456, R457, E414, E415, A410, R737, R729, I740, S741, S318, T793, R792, S791, F464, L461, Q742, G462, A407, S317, K460, T343, W418, D538, G601, Y451, N452, M453, Q416, S600, S710, Y758, G455, L340	POLG_DEN4D-1_68700123.pdb POLG_DEN4D-2_68700123.pdb POLG_DEN4D-3_68700123.pdb POLG_DEN4P-1_68700123.pdb POLG_DEN4P-2_68700123.pdb POLG_DEN4P-3_68700123.pdb POLG_DEN4T-1_68700123.pdb POLG_DEN4T-2_68700123.pdb POLG_DEN4T-3_68700123.pdb
46885245	-11.4	-12.4	-9.7	-10.8	-11.4	-9.6	-10.8	-12.4	-11.5	-11.1±1.0	E458, S318, R792, K460, K459, Q742, N452, N452	E458, S796, W795, T794, T793, F412, Y758, M761, H711, R457, E414, E415, A410, K456, R737, Q413, R729, I740, S318, R792, T345, F464, Q742, K460, A407, W418, K459, N405, G601, M453, Q416, G409, S600, L461, T343	POLG_DEN4D-1_46885245.pdb POLG_DEN4D-2_46885245.pdb POLG_DEN4D-3_46885245.pdb POLG_DEN4P-1_46885245.pdb POLG_DEN4P-2_46885245.pdb POLG_DEN4P-3_46885245.pdb POLG_DEN4T-1_46885245.pdb POLG_DEN4T-2_46885245.pdb POLG_DEN4T-3_46885245.pdb
53019136	-11.7	-11.7	-9.6	-11.1	-11.7	-9.6	-11.2	-11.7	-11.7	-11.1±0.9	T794, Q413, Q742, E458, S318, R737, Q416, Q416	S796, W795, T794, F412, K459, Q742, K456, S710, E414, E415, A410, R737, Q413, R457, T345, F464, A407, L340, W418, I740, S741, S318, M319, K460, D344, M342, T343, E458, G743, Q416, V411, V411	POLG_DEN4D-1_53019136.pdb POLG_DEN4D-2_53019136.pdb POLG_DEN4D-3_53019136.pdb POLG_DEN4P-1_53019136.pdb POLG_DEN4P-2_53019136.pdb POLG_DEN4P-3_53019136.pdb POLG_DEN4T-1_53019136.pdb POLG_DEN4T-2_53019136.pdb POLG_DEN4T-3_53019136.pdb

NS5 RdRp versus Dengue library

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