1X2T

crystal structure of habu ix-bp at ph 6.5

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 23
  • Norm. En. per Res.: -1.7703
• Hub Node: A(3)

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	-132.1995	-4.6127	82.4747	-54.3376	139	37	5	22041	0	23	19
A-C	-14.7428	11.1442	-16.7458	-20.3444	35	6	0	1224	1	9	12
A-D	0.0	0.0	-33.8318	-33.8318	31	0	1	1659	0	1	1
B-C	-4.757	-12.1485	-23.8117	-40.7172	23	0	0	1280	1	8	5
B-D	0.0	0.0	-0.002	-0.002	5	0	0	6	0	0	0
C-D	-148.863	-9.2537	73.9785	-84.1382	136	44	4	22096	0	22	20

Interface residues

• A-B: ALA110B, ALA129A, ALA45A, ALA48A, ALA48B, ALA82B, ALA83B, ALA89B, ALA91B, ALA97A, ARG107B, ARG109B, ARG112A, ARG71A, ARG86B, ASN103B, ASN104B, ASN116A, ASN28B, ASN70B, ASN73B, ASN76B, ASN81B, ASN93A, ASP49A, ASP49B, ASP85A, CYS102A, CYS119A, CYS119B, CYS30A, CYS30B, CYS75B, CYS79A, CYS96B, GLN122B, GLN43B, GLN73A, GLN74B, GLN78A, GLN78B, GLU106A, GLU120B, GLU128A, GLU27A, GLU27B, GLU43A, GLU46B, GLU47A, GLU47B, GLU76A, GLU82A, GLU92A, GLU92B, GLU93B, GLU96A, GLU98A, GLY104A, GLY36A, GLY36B, GLY37A, GLY37B, GLY46A, GLY67B, GLY69A, GLY74A, GLY86A, HIS12A, HIS12B, HIS38A, HIS38B, ILE117A, ILE42A, ILE68A, ILE95A, LEU103A, LEU105A, LEU39A, LEU39B, LEU68B, LEU70A, LEU85B, LYS100A, LYS100B, LYS105B, LYS113A, LYS77A, LYS88B, MET66B, MET84B, PHE121B, PHE42B, PHE99B, SER108B, SER41A, SER41B, SER44A, SER44B, SER45B, SER69B, SER80A, SER80B, SER81A, SER84A, SER87A, SER88A, SER90A, SER94B, SER99A, THR101A, THR102B, THR109A, THR31A, THR31B, TRP106B, TRP114A, TRP23A, TRP23B, TRP65B, TRP67A, TRP72B, TRP77B, TRP79B, TRP83A, TRP90B, TRP94A, TYR14A, TYR87B, TYR91A, TYR95B, TYR98B, VAL115A, VAL40A, VAL40B, VAL52B, VAL71B, VAL72A, VAL89A, VAL97B
• A-C: ALA129C, ARG28A, ASP24A, ASP25A, CYS79C, GLN73C, GLU27C, GLU32A, GLU76A, GLU82C, GLU92A, GLU96A, GLY36C, GLY37C, GLY74C, GLY86C, HIS12C, HIS38C, LYS21A, LYS35C, LYS75A, LYS77A, PHE29A, SER80C, SER81C, SER87C, SER88A, SER88C, SER90A, THR31A, THR31C, TRP83C, TYR91A, VAL89A, VAL89C
• A-D: ALA82D, ALA83D, ARG28A, ARG71A, ARG86D, ASN76D, ASN81D, ASP24A, CYS75D, CYS79A, GLN74D, GLN78A, GLN78D, GLU76A, GLU92A, GLU96A, GLY74A, LEU85D, LYS75A, LYS77A, MET84D, SER80D, SER81A, SER88A, SER90A, TRP77D, TRP79D, TRP94A, TYR118A, TYR91A, VAL89A
• B-C: ALA34C, ALA48B, ARG28C, GLN33C, GLN43B, GLU10B, GLU120B, GLU32C, GLU46B, GLU47B, GLY11B, GLY36C, GLY37C, HIS12B, HIS38C, LYS35C, PHE42B, SER41B, SER44B, SER45B, THR31C, TYR14B, TYR9B
• B-D: ALA82D, ASN76B, CYS75B, MET84D, TRP106B
• C-D: ALA110D, ALA129C, ALA45C, ALA48C, ALA48D, ALA82D, ALA83D, ALA89D, ALA91D, ALA97C, ARG107D, ARG109D, ARG112C, ARG71C, ARG86D, ASN103D, ASN104D, ASN116C, ASN70D, ASN73D, ASN76D, ASN81D, ASN93C, ASP49C, ASP49D, ASP85C, CYS102C, CYS119C, CYS30C, CYS30D, CYS75D, CYS79C, CYS96D, GLN122D, GLN43D, GLN73C, GLN74D, GLN78C, GLN78D, GLU106C, GLU120D, GLU128C, GLU27C, GLU27D, GLU43C, GLU46D, GLU47C, GLU47D, GLU76C, GLU82C, GLU92C, GLU92D, GLU93D, GLU96C, GLU98C, GLY104C, GLY36C, GLY36D, GLY37C, GLY37D, GLY46C, GLY67D, GLY69C, GLY74C, GLY86C, HIS12C, HIS12D, HIS38C, HIS38D, ILE117C, ILE42C, ILE68C, ILE95C, LEU103C, LEU105C, LEU39C, LEU39D, LEU68D, LEU70C, LEU85D, LYS100C, LYS100D, LYS105D, LYS113C, LYS77C, LYS88D, MET66D, MET84D, PHE121D, PHE42D, PHE99D, SER108D, SER41C, SER41D, SER44C, SER44D, SER45D, SER69D, SER80C, SER80D, SER81C, SER84C, SER87C, SER88C, SER90C, SER94D, SER99C, THR101C, THR109C, THR31C, THR31D, TRP106D, TRP114C, TRP23C, TRP23D, TRP65D, TRP67C, TRP72D, TRP77D, TRP79D, TRP83C, TRP90D, TRP94C, TYR118C, TYR87D, TYR91C, TYR95D, TYR98D, VAL115C, VAL40C, VAL40D, VAL52D, VAL71D, VAL72C, VAL89C, VAL97D