1N2M

the s53a proenzyme structure of methanococcus jannaschii.

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: E-F
  • Int. Res.: 98
  • Norm. En. per Res.: -4.0448
• 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	-46.1728	-12.9502	-318.901	-378.024	103	13	9	11509	4	10	11
A-C	-54.5899	-24.4077	-314.535	-393.5326	107	9	9	12264	4	9	12
A-D	-11.7516	-15.0251	-86.4438	-113.2205	67	1	0	4326	2	21	26
A-E	0.0	0.0	-9.169	-9.169	16	0	0	385	0	4	0
B-C	-50.4609	-20.7917	-340.264	-411.5166	108	18	10	13459	4	12	14
D-E	-56.8717	-23.0976	-306.532	-386.5013	105	12	12	11987	4	9	9
D-F	-28.2723	-23.4798	-261.435	-313.1871	90	7	6	10335	4	8	8
E-F	-66.0911	-23.6348	-306.664	-396.39	98	18	8	12175	4	11	10

Interface residues

• A-B: ALA10A, ALA10B, ALA127A, ALA33B, ALA37B, ALA53A, ALA59A, ALA71B, ALA76A, ARG134A, ARG50A, ARG50B, ASN32B, ASN40B, ASN45B, ASN47B, ASP35B, CYS104A, CYS155B, GLU109A, GLU111A, GLU125A, GLU132A, GLU26B, GLU28B, GLY105A, GLY130A, GLY135A, GLY27B, GLY36B, GLY44B, GLY70B, GLY78A, HIS9A, HIS9B, ILE107A, ILE129A, ILE43B, ILE49A, ILE49B, ILE51A, ILE51B, ILE54A, ILE93A, LEU103A, LEU106A, LEU14A, LEU162A, LEU31B, LEU38B, LEU39B, LEU48B, LEU67B, LEU72A, LEU72B, LEU8A, LEU8B, LYS128A, LYS13A, LYS13B, MET108A, MET126A, MET133A, MET55A, MET69B, PHE12A, PHE12B, PHE131A, PHE157B, PHE34B, PRO15A, PRO30B, PRO56A, PRO57A, PRO68B, PRO74A, PRO74B, PRO7A, PRO7B, PRO98A, SER102A, SER25B, SER52A, SER94A, THR122A, THR29B, THR75A, THR75B, TRP136A, TRP163A, TRP163B, TYR110A, TYR11A, TYR11B, TYR164A, TYR164B, TYR77A, TYR77B, VAL123A, VAL18A, VAL46B, VAL73A, VAL73B
• A-C: ALA10A, ALA10C, ALA127C, ALA33A, ALA37A, ALA53C, ALA59C, ALA71A, ALA76C, ARG134C, ARG50A, ARG50C, ASN16A, ASN32A, ASN40A, ASN45A, ASN47A, ASN6C, ASP35A, CYS104C, GLU109C, GLU111C, GLU125C, GLU132C, GLU26A, GLU28A, GLY105C, GLY130C, GLY135C, GLY27A, GLY36A, GLY44A, GLY70A, GLY78C, HIS9A, HIS9C, ILE107C, ILE129C, ILE43A, ILE49A, ILE49C, ILE51A, ILE51C, ILE54C, ILE5C, ILE93C, LEU103C, LEU106C, LEU14A, LEU14C, LEU162A, LEU162C, LEU31A, LEU38A, LEU39A, LEU48A, LEU67A, LEU72A, LEU72C, LEU8C, LYS128C, LYS13A, LYS13C, LYS165A, MET108C, MET126C, MET133C, MET55C, MET69A, PHE12A, PHE12C, PHE131C, PHE157A, PHE34A, PRO15A, PRO15C, PRO30A, PRO56C, PRO57C, PRO68A, PRO74A, PRO74C, PRO7C, PRO98C, SER102C, SER25A, SER52C, SER94C, THR122C, THR29A, THR75A, THR75C, TRP136C, TRP163A, TRP163C, TYR110C, TYR11A, TYR11C, TYR164A, TYR164C, TYR77A, TYR77C, TYR79A, VAL123C, VAL46A, VAL73A, VAL73C
• A-D: ALA145A, ALA145D, ALA22D, ALA37D, ALA41D, ALA59A, ALA96A, ARG124A, ARG140A, ASN40D, ASN45D, ASP100A, ASP139A, GLU120A, GLU132A, GLU137A, GLU142A, GLU142D, GLU147D, GLU26D, GLU60A, GLU60D, GLY23D, GLY36D, GLY42D, GLY44D, ILE141A, ILE144A, ILE144D, ILE43D, ILE61A, ILE61D, ILE97A, LEU138A, LEU20D, LEU38D, LEU39D, LEU64D, LEU67D, LYS101A, LYS116A, LYS116D, LYS117A, LYS121A, LYS128A, LYS165A, LYS165D, LYS66D, LYS99A, PHE131A, PRO63A, PRO63D, PRO65D, PRO98A, SER102A, SER143A, SER143D, SER19D, SER24D, SER25D, TRP136A, VAL123A, VAL146D, VAL18D, VAL21D, VAL62A, VAL62D
• A-E: ARG134E, ASP100E, GLU132E, GLY135E, ILE144A, ILE61A, LEU103E, LEU64A, LYS116A, LYS66A, MET133E, PHE131E, PRO63A, SER102E, TRP136E, VAL62A
• B-C: ALA10B, ALA10C, ALA127B, ALA33C, ALA37C, ALA3C, ALA53B, ALA59B, ALA71B, ALA71C, ALA76B, ARG134B, ARG50B, ARG50C, ASN16B, ASN32C, ASN40C, ASN45C, ASN47B, ASN47C, ASN6C, ASP35C, CYS104B, GLU109B, GLU111B, GLU125B, GLU132B, GLU26C, GLU28C, GLU4C, GLU58B, GLY105B, GLY130B, GLY135B, GLY27C, GLY36C, GLY44C, GLY70C, GLY78B, HIS9B, HIS9C, ILE107B, ILE129B, ILE43C, ILE49B, ILE49C, ILE51B, ILE54B, ILE5C, ILE93B, LEU103B, LEU106B, LEU14B, LEU162B, LEU31C, LEU38C, LEU39C, LEU48B, LEU48C, LEU67C, LEU72B, LEU72C, LEU8C, LYS128B, LYS13B, LYS13C, MET108B, MET126B, MET133B, MET55B, MET69C, PHE12B, PHE12C, PHE131B, PHE157C, PHE34C, PRO15B, PRO30C, PRO56B, PRO57B, PRO68B, PRO68C, PRO74B, PRO7C, PRO98B, SER102B, SER25C, SER52B, SER94B, THR122B, THR29C, THR75B, THR75C, TRP136B, TRP163B, TRP163C, TYR110B, TYR11B, TYR11C, TYR164B, TYR77B, TYR77C, TYR79C, VAL123B, VAL18B, VAL46C, VAL73B, VAL73C
• D-E: ALA10E, ALA127E, ALA33D, ALA37D, ALA53E, ALA59E, ALA71D, ALA76E, ARG134E, ARG50D, ARG50E, ASN16D, ASN32D, ASN40D, ASN45D, ASN47D, ASN6E, ASP35D, CYS104E, CYS155D, GLU109E, GLU111E, GLU125E, GLU132E, GLU26D, GLU28D, GLY105E, GLY130E, GLY135E, GLY27D, GLY36D, GLY44D, GLY70D, GLY78E, HIS9E, ILE107E, ILE129E, ILE43D, ILE49D, ILE49E, ILE51D, ILE51E, ILE54E, ILE5E, ILE93E, LEU103E, LEU106E, LEU14D, LEU14E, LEU162D, LEU162E, LEU31D, LEU38D, LEU39D, LEU48D, LEU67D, LEU72D, LEU72E, LEU8E, LYS128E, LYS13D, LYS13E, LYS165D, MET108E, MET126E, MET133E, MET55E, MET69D, PHE12D, PHE12E, PHE131E, PHE157D, PHE34D, PRO15D, PRO15E, PRO30D, PRO56E, PRO57E, PRO68D, PRO74D, PRO74E, PRO7E, PRO98E, SER102E, SER25D, SER52E, SER94E, THR122E, THR29D, THR75D, THR75E, TRP136E, TRP163D, TRP163E, TYR110E, TYR11E, TYR164D, TYR164E, TYR77D, TYR77E, TYR79D, VAL123E, VAL46D, VAL73D, VAL73E
• D-F: ALA127D, ALA33F, ALA37F, ALA53D, ALA59D, ALA71F, ALA76D, ARG134D, ARG50D, ARG50F, ASN32F, ASN40F, ASN45F, ASN47F, ASP35F, CYS104D, GLU109D, GLU111D, GLU125D, GLU132D, GLU26F, GLU28F, GLY105D, GLY130D, GLY135D, GLY27F, GLY36F, GLY44F, GLY70F, GLY78D, ILE107D, ILE129D, ILE43F, ILE49D, ILE49F, ILE51D, ILE51F, ILE54D, ILE93D, LEU103D, LEU106D, LEU14D, LEU162D, LEU31F, LEU38F, LEU39F, LEU48F, LEU67F, LEU72D, LEU72F, LYS128D, LYS13D, MET108D, MET126D, MET133D, MET55D, MET69F, PHE12D, PHE131D, PHE157F, PHE34F, PRO15D, PRO30F, PRO56D, PRO57D, PRO68F, PRO74D, PRO74F, PRO98D, SER102D, SER25F, SER52D, SER94D, THR122D, THR29F, THR75D, THR75F, TRP136D, TRP163D, TRP163F, TYR110D, TYR164D, TYR164F, TYR77D, TYR77F, TYR79F, VAL123D, VAL46F, VAL73D, VAL73F
• E-F: ALA10E, ALA127F, ALA33E, ALA37E, ALA53F, ALA59F, ALA71E, ALA71F, ALA76F, ARG134F, ARG50E, ARG50F, ASN16F, ASN32E, ASN40E, ASN45E, ASN47E, ASN47F, ASN6E, ASP35E, CYS104F, GLU109F, GLU111F, GLU125F, GLU132F, GLU26E, GLU28E, GLU4E, GLU58F, GLY105F, GLY130F, GLY27E, GLY36E, GLY44E, GLY70E, GLY78F, HIS9E, ILE107F, ILE129F, ILE43E, ILE49E, ILE49F, ILE51F, ILE54F, ILE5E, ILE93F, LEU103F, LEU106F, LEU14F, LEU162F, LEU31E, LEU38E, LEU39E, LEU48E, LEU48F, LEU67E, LEU72E, LEU72F, LEU8E, LYS128F, LYS13F, MET108F, MET126F, MET133F, MET55F, MET69E, PHE131F, PHE157E, PHE34E, PRO15F, PRO30E, PRO56F, PRO57F, PRO68E, PRO74F, PRO7E, PRO98F, SER102F, SER25E, SER52F, SER94F, THR122F, THR29E, THR75E, THR75F, TRP136F, TRP163E, TRP163F, TYR110F, TYR11E, TYR164F, TYR77E, TYR77F, TYR79E, VAL123F, VAL46E, VAL73E, VAL73F