1X0G

crystal structure of isca with the [2fe-2s] cluster

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 203
  • Norm. En. per Res.: -8.8854
• 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	-19.6245	13.2076	-142.986	-149.4028	76	1	3	5818	2	18	16
A-C	-7.6347	-6.3534	-63.5843	-77.5725	22	4	0	2133	3	6	6
A-D	-32.8219	4.4267	-189.429	-217.8242	74	12	0	7143	0	18	19
B-C	-43.4852	-11.9187	-209.631	-265.035	86	21	1	8574	1	20	19
B-D	-507.299	-50.8217	-1245.61	-1803.7307	203	88	54	47713	4	31	20
C-D	-8.4643	24.1002	-136.181	-120.5451	79	2	2	5625	1	21	16

Interface residues

• A-B: ALA106A, ALA45A, ALA68A, ALA70A, ALA71A, ALA89A, ALA89B, ARG108A, ARG111A, ARG14A, ARG29A, ARG41A, ARG41B, ARG91A, ARG91B, ASP39A, ASP39B, ASP43A, ASP43B, ASP84B, CYS101A, CYS103A, CYS37A, CYS37B, GLN31A, GLN31B, GLN33A, GLN33B, GLU11A, GLU36A, GLU36B, GLU69A, GLU72A, GLU83B, GLY104A, GLY38A, GLY38B, GLY87B, GLY88A, GLY88B, ILE27A, ILE30A, ILE82B, LEU12A, LEU15A, LEU28A, LEU44A, LEU44B, LEU46A, LEU73A, LEU74A, LEU85B, MET105A, MET86B, PHE107A, PHE90A, PHE90B, PHE92A, PHE92B, PRO34A, PRO34B, SER110A, SER112A, SER35A, SER35B, TRP40A, TRP40B, TRP62A, TYR42A, TYR42B, TYR81A, VAL109A, VAL32A, VAL32B, VAL47A, VAL79A
• A-C: ALA97A, ARG108A, ARG108C, ARG111A, ARG111C, ASP39A, ASP39C, GLN99A, GLN99C, GLY38A, GLY38C, PHE107A, PHE107C, SER110A, SER110C, SER112A, SER98A, SER98C, TRP40A, TRP40C, VAL109A, VAL109C
• A-D: ALA106A, ALA106D, ALA67A, ALA67D, ALA68A, ALA68D, ALA70A, ALA70D, ALA71A, ALA71D, ALA89A, ALA97D, ARG108A, ARG108D, ARG111A, ARG29A, ARG41A, ARG41D, ARG75D, ARG91A, ASN96D, ASP39A, ASP39D, ASP43A, ASP54A, ASP54D, ASP84A, CYS101A, CYS101D, CYS103A, CYS103D, CYS37A, CYS37D, GLN31A, GLN33A, GLN33D, GLN99D, GLU36A, GLU36D, GLU69A, GLU69D, GLU72A, GLU72D, GLY102A, GLY102D, GLY104A, GLY104D, GLY38A, GLY38D, GLY87A, LEU55A, LEU73A, LEU73D, LEU74A, LEU85A, LYS51A, MET105A, MET105D, MET86A, PHE107A, PRO34A, PRO52A, SER112A, SER35A, SER35D, SER98D, THR100D, THR53A, THR53D, TRP40A, TRP40D, TYR42A, VAL109A, VAL32A
• B-C: ALA106B, ALA106C, ALA67B, ALA67C, ALA68B, ALA68C, ALA70B, ALA70C, ALA71B, ALA71C, ALA89C, ALA97B, ARG108B, ARG108C, ARG111C, ARG14B, ARG29C, ARG41B, ARG41C, ARG91C, ASN96B, ASP39B, ASP39C, ASP43C, ASP54C, ASP84C, CYS101B, CYS101C, CYS103B, CYS103C, CYS37B, CYS37C, GLN31C, GLN33B, GLN33C, GLN99B, GLU36B, GLU36C, GLU69B, GLU69C, GLU72B, GLU72C, GLU83C, GLY102B, GLY102C, GLY104B, GLY104C, GLY38B, GLY38C, GLY87C, GLY88C, ILE82C, LEU55B, LEU55C, LEU73B, LEU73C, LEU74B, LEU74C, LEU85C, LYS51C, MET105B, MET105C, MET86C, PHE107B, PHE107C, PHE90C, PHE92C, PRO34C, PRO52C, SER110B, SER110C, SER35B, SER35C, SER98B, THR100B, THR100C, THR53B, THR53C, TRP40B, TRP40C, TYR42C, TYR81C, VAL109B, VAL109C, VAL32B, VAL32C
• B-D: ALA106B, ALA106D, ALA25B, ALA25D, ALA26B, ALA26D, ALA45B, ALA45D, ALA48B, ALA48D, ALA65B, ALA65D, ALA67B, ALA67D, ALA68B, ALA68D, ALA70B, ALA70D, ALA71B, ALA71D, ALA7B, ALA7D, ALA89B, ALA89D, ALA8B, ALA8D, ALA97B, ALA97D, ARG108B, ARG14B, ARG14D, ARG21B, ARG22B, ARG29B, ARG29D, ARG41B, ARG41D, ARG75B, ARG75D, ARG78B, ARG78D, ARG91B, ARG91D, ASN94B, ASN94D, ASN96B, ASN96D, ASP39B, ASP39D, ASP43B, ASP43D, ASP54B, ASP54D, ASP80B, ASP80D, ASP84B, ASP84D, CYS101B, CYS101D, CYS103B, CYS103D, CYS37B, CYS37D, GLN10B, GLN10D, GLN16B, GLN16D, GLN24B, GLN31B, GLN31D, GLN33B, GLN33D, GLN58B, GLN58D, GLN60B, GLN60D, GLN99B, GLN99D, GLU11B, GLU11D, GLU13B, GLU13D, GLU36B, GLU36D, GLU3B, GLU3D, GLU49B, GLU49D, GLU69B, GLU69D, GLU72B, GLU72D, GLU83B, GLU83D, GLY102B, GLY102D, GLY104B, GLY104D, GLY38B, GLY38D, GLY61B, GLY61D, GLY76B, GLY76D, GLY87B, GLY87D, GLY88B, GLY88D, HIS18D, HIS93B, HIS93D, ILE27B, ILE27D, ILE30B, ILE30D, ILE64B, ILE64D, ILE66B, ILE66D, ILE82B, ILE82D, ILE9B, ILE9D, LEU12B, LEU12D, LEU15B, LEU15D, LEU28B, LEU28D, LEU44B, LEU44D, LEU46B, LEU46D, LEU4B, LEU4D, LEU55B, LEU55D, LEU56B, LEU56D, LEU73B, LEU73D, LEU74B, LEU74D, LEU77B, LEU77D, LEU85D, LYS51B, LYS51D, MET105B, MET105D, MET1B, MET1D, MET86B, MET86D, PHE107B, PHE90B, PHE90D, PHE92B, PHE92D, PRO34B, PRO34D, PRO50B, PRO50D, PRO52B, PRO52D, PRO6B, PRO6D, PRO95B, PRO95D, SER35B, SER35D, SER59B, SER59D, SER98B, SER98D, THR100B, THR100D, THR17B, THR17D, THR53B, THR53D, THR57B, THR57D, THR5B, THR5D, THR63B, THR63D, TRP40B, TRP40D, TRP62B, TRP62D, TYR42B, TYR42D, TYR81B, TYR81D, VAL2B, VAL2D, VAL32B, VAL32D, VAL47B, VAL47D, VAL79B, VAL79D
• C-D: ALA106C, ALA45C, ALA68C, ALA70C, ALA71C, ALA89C, ALA89D, ARG108C, ARG111C, ARG14C, ARG21C, ARG29C, ARG41C, ARG41D, ARG91C, ARG91D, ASP39C, ASP39D, ASP43C, ASP43D, ASP84D, CYS103C, CYS37C, CYS37D, GLN16C, GLN31C, GLN31D, GLN33C, GLN33D, GLU11C, GLU36C, GLU36D, GLU69C, GLU72C, GLU83D, GLY104C, GLY38C, GLY38D, GLY87D, GLY88C, GLY88D, HIS93D, ILE27C, ILE30C, ILE82D, LEU12C, LEU15C, LEU28C, LEU44C, LEU44D, LEU46C, LEU73C, LEU74C, LEU85D, MET105C, MET86C, MET86D, PHE107C, PHE90C, PHE90D, PHE92C, PHE92D, PRO34C, PRO34D, SER110C, SER35C, SER35D, SER98C, TRP40C, TRP40D, TRP62C, TYR42C, TYR42D, TYR81C, VAL109C, VAL32C, VAL32D, VAL47C, VAL79C