2C3H

structure of cbm26 from bacillus halodurans amylase in complex with maltose

• Total interactions analyzed: 28
• Total true interactions: 14
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 47
  • Norm. En. per Res.: -1.0565
• Hub Node: A(4)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-4.6705	52.2129	-52.1613	-4.6189	33	3	0	2023	0	28	33
A-C	-9.1585	34.4884	-74.9855	-49.6556	47	8	1	2932	2	13	21
A-D	0.0	-3.6802	-0.8715	-4.5517	6	0	0	151	0	8	5
A-E	0.0	0.0	-8.6247	-8.6247	20	0	0	475	0	2	2
B-C	0.0	5.7788	-0.6311	5.1476	11	0	0	63	0	7	9
B-F	0.0	-4.3474	-7.6368	-11.9842	30	0	0	797	0	10	13
B-G	-16.0949	44.9728	-68.4639	-39.586	47	7	2	2878	5	15	22
B-H	0.0	0.0	-10.364	-10.364	19	0	0	575	0	2	2
C-D	0.0	0.0	-8.891	-8.891	19	0	0	531	0	2	2
C-E	0.0	-2.9379	-5.6178	-8.5557	28	0	0	666	0	10	13
D-E	-10.0167	57.0415	-28.952	18.0727	48	12	1	3083	3	15	22
F-G	0.0	0.0	-11.1402	-11.1402	17	0	0	486	0	2	2
F-H	-30.1622	78.9482	-73.1973	-24.4113	47	10	0	3129	2	12	23
G-H	0.0	-0.9517	-0.6093	-1.5609	4	0	0	128	0	8	5

Interface residues

• A-B: ALA38B, ARG66B, ARG95A, ASP14A, ASP47A, ASP65B, ASP88A, ASP94A, GLU37B, GLU40B, GLU42B, GLU45A, GLU54B, GLU90A, GLY17B, GLY46A, GLY67B, GLY89A, HIS20B, HIS43B, HIS51B, HIS92A, LYS11A, MET41B, PRO19B, PRO39B, PRO96A, SER36B, THR18B, TRP48A, TRP86A, TYR44A, TYR49B
• A-C: ARG60A, ARG60C, ARG81A, ARG81C, ASP25A, ASP25C, ASP82A, ASP82C, ASP84C, ASP88A, GLN83A, GLN83C, GLU76A, GLU76C, GLU90A, GLU90C, GLY73A, GLY73C, GLY75A, GLY75C, GLY78A, GLY78C, GLY89A, GLY89C, HIS92A, HIS92C, LEU62A, LEU62C, PHE79A, PHE79C, PHE80A, PHE80C, PHE87A, PHE87C, PRO72A, PRO72C, PRO74C, PRO77A, PRO77C, TRP71A, TRP71C, TRP91A, TRP91C, TYR24A, TYR24C, VAL93A, VAL93C
• A-D: ASP25A, ASP25D, GLU32A, GLU32D, LYS29A, LYS29D
• A-E: GLN70A, GLN70E, GLU76A, GLU76E, GLY67E, GLY73A, GLY73E, GLY75A, GLY75E, GLY78A, LEU62A, PRO74A, PRO74E, PRO77A, THR68A, THR68E, TRP35A, TRP35E, TYR22A, TYR24A
• B-C: ASP14B, ASP82C, ASP94C, GLN83C, GLU45B, GLU57C, GLY46B, HIS43B, LYS12B, TYR49B, VAL93C
• B-F: ASN27B, ASN27F, ASP25B, ASP25F, ASP31B, ASP31F, GLU32B, GLU32F, GLU37B, GLU37F, GLY75B, GLY75F, LYS29B, LYS29F, PRO28B, PRO28F, PRO33B, PRO33F, PRO77B, PRO77F, THR26B, THR26F, THR34B, THR34F, TRP35B, TRP35F, TYR22B, TYR22F, TYR24B, TYR24F
• B-G: ARG60B, ARG60G, ARG81B, ARG81G, ASP25B, ASP25G, ASP82B, ASP82G, ASP88B, GLN83B, GLN83G, GLU76B, GLU76G, GLU90B, GLU90G, GLY73B, GLY73G, GLY75B, GLY75G, GLY78B, GLY78G, GLY89B, GLY89G, HIS92B, HIS92G, LEU62B, LEU62G, PHE79B, PHE79G, PHE80B, PHE80G, PHE87B, PHE87G, PRO72B, PRO72G, PRO74B, PRO77B, PRO77G, SER58G, TRP71B, TRP71G, TRP91B, TRP91G, TYR24B, TYR24G, VAL93B, VAL93G
• B-H: GLN70B, GLN70H, GLU76B, GLU76H, GLY67B, GLY73B, GLY73H, GLY75B, GLY75H, GLY78H, LEU62H, PRO74B, PRO74H, PRO77H, THR68B, THR68H, TRP35B, TRP35H, TYR24H
• C-D: GLN70C, GLN70D, GLU76C, GLU76D, GLY67C, GLY73C, GLY73D, GLY75C, GLY75D, GLY78D, LEU62D, PRO74C, PRO74D, PRO77D, THR68C, THR68D, TRP35C, TRP35D, TYR24D
• C-E: ASN27C, ASN27E, ASP25C, ASP25E, ASP31C, GLU32C, GLU32E, GLU37C, GLU37E, GLY75C, GLY75E, LYS29C, LYS29E, PRO28E, PRO33C, PRO33E, PRO77C, PRO77E, THR26C, THR26E, THR34C, THR34E, TRP35C, TRP35E, TYR22C, TYR22E, TYR24C, TYR24E
• D-E: ARG60D, ARG60E, ARG81D, ARG81E, ASP25D, ASP25E, ASP82D, ASP82E, ASP84D, ASP88D, ASP88E, GLN83D, GLN83E, GLU76D, GLU76E, GLU90D, GLU90E, GLY73D, GLY73E, GLY75D, GLY75E, GLY78D, GLY78E, GLY89D, GLY89E, HIS92D, HIS92E, LEU62D, LEU62E, PHE79D, PHE79E, PHE80D, PHE80E, PHE87D, PHE87E, PRO72D, PRO72E, PRO74E, PRO77D, PRO77E, TRP71D, TRP71E, TRP91D, TRP91E, TYR24D, TYR24E, VAL93D, VAL93E
• F-G: GLN70F, GLN70G, GLU76F, GLU76G, GLY67F, GLY73F, GLY73G, GLY75F, GLY75G, GLY78G, PRO74F, PRO74G, PRO77G, THR68F, THR68G, TRP35F, TYR24G
• F-H: ARG60F, ARG60H, ARG81F, ARG81H, ASP25F, ASP25H, ASP82F, ASP82H, ASP84H, ASP88F, ASP88H, GLN83F, GLN83H, GLU76F, GLU76H, GLU90F, GLU90H, GLY73F, GLY73H, GLY75F, GLY75H, GLY78F, GLY78H, GLY89F, GLY89H, HIS92F, HIS92H, LEU62F, LEU62H, PHE79F, PHE79H, PHE80F, PHE80H, PHE87F, PHE87H, PRO72F, PRO72H, PRO77F, PRO77H, TRP71F, TRP71H, TRP91F, TRP91H, TYR24F, TYR24H, VAL93F, VAL93H
• G-H: GLU32G, GLU32H, LYS29G, LYS29H