3IP3

structure of putative oxidoreductase (tm_0425) from thermotoga maritima

• Total interactions analyzed: 28
• Total true interactions: 15
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 174
  • Norm. En. per Res.: -3.8346
• 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	-45.1798	-102.6839	-519.124	-666.9877	175	33	6	21443	16	49	66
A-F	-46.3695	-45.8843	-76.4847	-168.7386	61	14	0	3890	8	45	45
A-G	-13.2619	5.5383	-34.5611	-42.2847	38	0	0	1800	0	12	18
A-H	-12.0071	7.421	-85.3984	-89.9845	64	2	2	4152	3	30	36
B-D	-11.1609	-31.5613	-18.7096	-61.4318	22	1	0	948	2	12	16
B-F	0.0	1.7232	-3.6066	-1.8834	11	0	0	379	0	2	7
B-G	-2.7536	5.8657	-85.9993	-82.8871	65	1	3	4342	4	33	35
B-H	0.0	0.0	-0.0104	-0.0104	6	0	0	5	0	0	1
C-D	-49.447	-89.7519	-528.024	-667.2229	174	22	6	21262	16	52	63
C-E	-2.9525	9.0157	-90.6794	-84.6162	67	2	3	4425	4	34	38
C-F	0.0	0.0	-0.0556	-0.0556	4	0	0	12	0	0	1
D-E	-10.0492	-11.7141	-37.3589	-59.1222	39	0	0	1863	0	12	17
D-F	-2.5122	26.9282	-90.8302	-66.4142	58	0	3	4061	5	30	31
E-F	-37.2727	-82.3142	-527.263	-646.8498	178	27	6	21494	15	52	66
G-H	-46.4131	-100.8805	-503.62	-650.9136	172	24	6	20804	15	49	63

Interface residues

• A-B: ALA145B, ALA201A, ALA201B, ALA218A, ALA218B, ALA230A, ALA230B, ALA242A, ALA242B, ALA320A, ALA320B, ARG150A, ARG150B, ARG205A, ARG205B, ARG238A, ARG238B, ARG249A, ARG249B, ARG251A, ARG251B, ARG256A, ARG256B, ARG275A, ARG275B, ASN153A, ASN153B, ASN208A, ASN208B, ASN226A, ASN226B, ASN263A, ASN263B, ASP235A, ASP235B, ASP247A, ASP247B, ASP270A, ASP270B, CYS220A, CYS220B, GLN155A, GLN155B, GLN240A, GLN240B, GLN324A, GLN324B, GLU148A, GLU148B, GLU215A, GLU215B, GLU225A, GLU225B, GLU227A, GLU227B, GLU260A, GLU260B, GLU271A, GLU271B, GLY241A, GLY241B, GLY254A, GLY254B, GLY257A, GLY257B, GLY273A, GLY273B, GLY323A, GLY323B, HIS203A, HIS203B, HIS207A, HIS207B, HIS221A, HIS221B, HIS274A, HIS274B, ILE149A, ILE149B, ILE177A, ILE177B, ILE234A, ILE234B, ILE258A, ILE258B, ILE262A, ILE262B, ILE325A, ILE325B, LEU151A, LEU151B, LEU206A, LEU206B, LEU219A, LEU219B, LEU224A, LEU224B, LEU232A, LEU232B, LEU237A, LEU237B, LEU268A, LEU268B, LEU327A, LYS156A, LYS156B, LYS159A, LYS159B, LYS194A, LYS194B, LYS272A, LYS272B, PHE222A, PHE222B, PHE229A, PHE229B, PHE267A, PHE267B, PRO239A, PRO239B, PRO243A, PRO243B, SER157A, SER157B, SER198A, SER198B, SER204A, SER204B, SER209A, SER209B, SER231A, SER231B, SER233A, SER233B, SER319A, SER319B, THR154A, THR154B, THR202A, THR202B, THR216A, THR216B, THR217A, THR217B, THR223A, THR223B, THR244A, THR244B, THR255A, THR255B, THR269A, THR269B, THR322A, THR322B, TYR158A, TYR158B, TYR200A, TYR200B, TYR236A, TYR236B, VAL146A, VAL146B, VAL152A, VAL152B, VAL199A, VAL199B, VAL228A, VAL228B, VAL253A, VAL253B, VAL259A, VAL261A, VAL261B, VAL326A, VAL326B
• A-F: ALA145A, ARG129A, ARG150A, ARG256A, ARG89F, ASN226A, ASN57F, ASP105F, ASP270A, CYS299A, GLU104F, GLU143A, GLU148A, GLU271A, GLU60F, GLU63F, GLU85F, GLU88F, GLY144A, GLY147A, GLY193A, GLY297A, HIS189A, ILE149A, ILE191A, ILE82F, LEU140A, LEU62F, LEU78F, LEU84F, LEU87F, LYS108F, LYS115F, LYS138A, LYS139A, LYS194A, LYS195A, LYS272A, LYS298A, LYS53F, LYS64F, LYS66F, LYS81F, LYS90F, PRO34F, SER111F, SER142A, THR102F, THR192A, THR255A, THR302A, TRP190A, TRP58F, TRP59F, TYR55F, VAL112F, VAL116F, VAL141A, VAL146A, VAL280A, VAL301A
• A-G: ARG170A, ARG170G, ARG205A, ARG205G, ASN208A, ASN208G, ASP321A, ASP321G, GLN324A, GLN324G, GLU213A, GLU213G, GLY212A, GLY212G, GLY323A, GLY323G, HIS207A, HIS207G, ILE325A, ILE325G, LEU206A, LEU206G, LEU214A, LEU214G, LYS168A, LYS168G, LYS169A, LYS169G, SER204A, SER204G, SER319A, SER319G, THR202A, THR202G, THR322A, THR322G, TYR200A, TYR200G
• A-H: ALA320A, ARG110H, ARG117H, ARG150H, ARG170A, ARG205A, ARG317A, ASN226H, ASP105A, ASP321A, GLN114A, GLN114H, GLN324A, GLN324H, GLU104A, GLU107A, GLU148H, GLU171A, GLU213A, GLU215A, GLU225H, GLU227H, GLU304H, GLU311A, GLU329H, GLY323A, GLY330H, HIS203A, ILE325A, ILE325H, ILE328H, LEU106A, LEU197H, LEU224H, LEU308H, LEU314A, LEU318A, LEU327A, LEU327H, LYS108A, LYS115A, LYS115H, LYS168A, LYS169A, LYS194H, LYS195H, LYS315A, LYS81A, PHE103A, PHE196H, PHE229H, SER111A, SER198H, SER204A, SER319A, THR101A, THR102A, THR223H, THR255H, THR322A, TYR200H, VAL199H, VAL326A, VAL326H
• B-D: ARG117D, ARG163B, ASN118D, ASP165B, GLN114D, GLN162B, GLU119D, GLU35B, GLY210B, GLY212B, HIS211B, LYS115D, LYS168B, LYS169B, LYS298D, LYS90D, PHE166B, PRO164B, PRO34B, SER209B, TYR113D, VAL116D
• B-F: ASN208B, GLN114F, GLU88F, GLY210B, HIS207B, LEU206B, LYS115F, LYS90F, SER209B, VAL112F, VAL116F
• B-G: ALA320G, ARG110B, ARG117B, ARG150B, ARG170G, ARG205G, ARG317G, ASN226B, ASP105G, ASP321G, GLN114B, GLN114G, GLN324B, GLN324G, GLU104G, GLU107G, GLU148B, GLU171G, GLU213G, GLU215G, GLU225B, GLU227B, GLU304B, GLU311G, GLU329B, GLY323G, GLY330B, HIS203G, HIS331B, ILE325B, ILE325G, ILE328B, ILE328G, LEU197B, LEU224B, LEU308B, LEU314G, LEU318G, LEU327B, LEU327G, LYS108G, LYS115B, LYS115G, LYS169G, LYS194B, LYS195B, LYS315G, LYS81G, PHE103G, PHE196B, PHE229B, SER111G, SER198B, SER204G, SER319G, THR101G, THR102G, THR223B, THR255B, THR322G, TYR200B, VAL199B, VAL199G, VAL326B, VAL326G
• B-H: GLN324B, GLN324H, GLU227B, GLU227H, ILE325B, ILE325H
• C-D: ALA201C, ALA201D, ALA218C, ALA218D, ALA230C, ALA230D, ALA242C, ALA242D, ALA320C, ALA320D, ARG150C, ARG150D, ARG205C, ARG205D, ARG238C, ARG238D, ARG249C, ARG249D, ARG251C, ARG251D, ARG256C, ARG256D, ARG275C, ARG275D, ASN153C, ASN153D, ASN208C, ASN208D, ASN226C, ASN226D, ASN263C, ASN263D, ASP235C, ASP235D, ASP247C, ASP247D, ASP248C, ASP248D, ASP270C, ASP270D, CYS220C, CYS220D, GLN155C, GLN155D, GLN240C, GLN240D, GLN324C, GLN324D, GLU148C, GLU148D, GLU215C, GLU215D, GLU225C, GLU225D, GLU227C, GLU227D, GLU260C, GLU260D, GLU271C, GLU271D, GLY241C, GLY241D, GLY254C, GLY254D, GLY257C, GLY257D, GLY273C, GLY273D, GLY323C, GLY323D, HIS203C, HIS203D, HIS207C, HIS207D, HIS221C, HIS221D, HIS274C, HIS274D, ILE149C, ILE149D, ILE177C, ILE177D, ILE234C, ILE234D, ILE258C, ILE258D, ILE262C, ILE262D, ILE325C, ILE325D, LEU151C, LEU151D, LEU206C, LEU206D, LEU219C, LEU219D, LEU224C, LEU224D, LEU232C, LEU232D, LEU237C, LEU237D, LEU268C, LEU268D, LYS156C, LYS156D, LYS159C, LYS159D, LYS194C, LYS272C, LYS272D, PHE222C, PHE222D, PHE229C, PHE229D, PHE267C, PHE267D, PRO239C, PRO239D, PRO243C, PRO243D, SER157C, SER157D, SER198C, SER198D, SER204C, SER204D, SER209C, SER209D, SER231C, SER231D, SER233C, SER233D, SER319C, SER319D, THR154C, THR154D, THR202C, THR202D, THR216C, THR216D, THR217C, THR217D, THR223C, THR223D, THR244C, THR244D, THR255C, THR255D, THR269C, THR269D, THR322C, THR322D, TYR158C, TYR158D, TYR200C, TYR200D, TYR236C, TYR236D, VAL146C, VAL146D, VAL152C, VAL152D, VAL199C, VAL199D, VAL228C, VAL228D, VAL253C, VAL253D, VAL259C, VAL261C, VAL261D, VAL326C, VAL326D
• C-E: ALA320E, ARG110C, ARG117C, ARG150C, ARG170E, ARG205E, ARG317E, ASN226C, ASP105E, ASP321E, GLN114C, GLN114E, GLN324C, GLN324E, GLU104E, GLU107E, GLU148C, GLU171E, GLU213E, GLU215E, GLU225C, GLU227C, GLU304C, GLU311E, GLU329C, GLY193C, GLY323E, GLY330C, HIS189C, HIS203E, ILE325C, ILE325E, ILE328C, ILE328E, LEU106E, LEU197C, LEU224C, LEU308C, LEU314E, LEU318E, LEU327C, LEU327E, LYS108E, LYS115C, LYS115E, LYS169E, LYS194C, LYS195C, LYS315E, LYS81E, PHE103E, PHE196C, PHE229C, SER111E, SER198C, SER204E, SER319E, THR101E, THR102E, THR223C, THR255C, THR322E, TYR200C, VAL199C, VAL199E, VAL326C, VAL326E
• C-F: GLN324C, GLN324F, ILE325C, ILE325F
• D-E: ARG170D, ARG170E, ARG205D, ARG205E, ASN208D, ASN208E, ASP321D, ASP321E, GLN324D, GLN324E, GLU213D, GLU213E, GLU215E, GLY212D, GLY212E, GLY323D, GLY323E, HIS207D, HIS207E, ILE325D, ILE325E, LEU206D, LEU206E, LEU214D, LEU214E, LYS168D, LYS168E, LYS169D, LYS169E, SER204D, SER204E, SER319D, SER319E, THR202D, THR202E, THR322D, THR322E, TYR200D, TYR200E
• D-F: ALA320D, ARG110F, ARG117F, ARG150F, ARG170D, ARG205D, ARG317D, ASN226F, ASP105D, ASP321D, GLN114F, GLN324D, GLN324F, GLU104D, GLU107D, GLU148F, GLU171D, GLU213D, GLU215D, GLU225F, GLU227F, GLU311D, GLU329F, GLY323D, GLY330F, HIS203D, ILE325D, ILE325F, ILE328F, LEU106D, LEU197F, LEU224F, LEU308F, LEU314D, LEU318D, LEU327D, LEU327F, LYS108D, LYS115D, LYS169D, LYS194F, LYS195F, LYS315D, LYS81D, PHE103D, PHE196F, PHE229F, SER111D, SER198F, SER319D, THR101D, THR102D, THR223F, THR322D, TYR200F, VAL199F, VAL326D, VAL326F
• E-F: ALA145E, ALA145F, ALA201E, ALA201F, ALA218E, ALA218F, ALA230E, ALA230F, ALA242E, ALA242F, ALA320E, ALA320F, ARG150E, ARG150F, ARG205E, ARG205F, ARG238E, ARG238F, ARG249E, ARG249F, ARG251E, ARG251F, ARG256E, ARG256F, ARG275E, ARG275F, ASN153E, ASN153F, ASN208E, ASN208F, ASN226E, ASN226F, ASN263E, ASN263F, ASP235E, ASP235F, ASP247E, ASP247F, ASP248E, ASP248F, ASP270E, ASP270F, CYS220E, CYS220F, GLN155E, GLN155F, GLN240E, GLN240F, GLN324E, GLN324F, GLU148E, GLU148F, GLU215E, GLU215F, GLU225E, GLU225F, GLU227E, GLU227F, GLU260E, GLU260F, GLU271E, GLU271F, GLY241E, GLY241F, GLY254E, GLY254F, GLY257E, GLY257F, GLY273E, GLY273F, GLY323E, GLY323F, HIS203E, HIS203F, HIS207E, HIS207F, HIS221E, HIS221F, HIS274E, HIS274F, ILE149E, ILE149F, ILE177E, ILE177F, ILE234E, ILE234F, ILE258E, ILE258F, ILE262E, ILE262F, ILE325E, ILE325F, LEU151E, LEU151F, LEU206E, LEU206F, LEU219E, LEU219F, LEU224E, LEU224F, LEU232E, LEU232F, LEU237E, LEU237F, LEU268E, LEU268F, LEU327E, LYS156E, LYS156F, LYS159E, LYS159F, LYS194E, LYS194F, LYS272E, LYS272F, PHE222E, PHE222F, PHE229E, PHE229F, PHE267E, PHE267F, PRO239E, PRO239F, PRO243E, PRO243F, SER157E, SER157F, SER198E, SER198F, SER204E, SER204F, SER209E, SER209F, SER231E, SER231F, SER233E, SER233F, SER319E, SER319F, THR154E, THR154F, THR202E, THR202F, THR216E, THR216F, THR217E, THR217F, THR223E, THR223F, THR244E, THR244F, THR255E, THR255F, THR269E, THR269F, THR322E, THR322F, TYR158E, TYR158F, TYR200E, TYR200F, TYR236E, TYR236F, VAL146E, VAL146F, VAL152E, VAL152F, VAL199E, VAL199F, VAL228E, VAL228F, VAL253E, VAL253F, VAL259F, VAL261E, VAL261F, VAL326E, VAL326F
• G-H: ALA201G, ALA201H, ALA218G, ALA218H, ALA230G, ALA230H, ALA242G, ALA242H, ALA320G, ALA320H, ARG150G, ARG150H, ARG205G, ARG205H, ARG238G, ARG238H, ARG249G, ARG249H, ARG251G, ARG251H, ARG256G, ARG256H, ARG275G, ARG275H, ASN153G, ASN153H, ASN208G, ASN208H, ASN226G, ASN226H, ASN263G, ASN263H, ASP235G, ASP235H, ASP247G, ASP247H, ASP248H, ASP270G, ASP270H, CYS220G, CYS220H, GLN155G, GLN155H, GLN240G, GLN240H, GLN324G, GLN324H, GLU148G, GLU148H, GLU215G, GLU215H, GLU225G, GLU225H, GLU227G, GLU227H, GLU260G, GLU260H, GLU271G, GLU271H, GLY241G, GLY241H, GLY254G, GLY254H, GLY257G, GLY257H, GLY273G, GLY273H, GLY323G, GLY323H, HIS203G, HIS203H, HIS207G, HIS207H, HIS221G, HIS221H, HIS274G, HIS274H, ILE149G, ILE149H, ILE177G, ILE177H, ILE234G, ILE234H, ILE258G, ILE258H, ILE262G, ILE262H, ILE325G, ILE325H, LEU151G, LEU151H, LEU206G, LEU206H, LEU219G, LEU219H, LEU224G, LEU224H, LEU232G, LEU232H, LEU237G, LEU237H, LEU268G, LEU268H, LYS156G, LYS156H, LYS159G, LYS159H, LYS194G, LYS194H, LYS272G, LYS272H, PHE222G, PHE222H, PHE229G, PHE229H, PHE267G, PHE267H, PRO239G, PRO239H, PRO243G, PRO243H, SER157G, SER157H, SER198G, SER198H, SER204G, SER204H, SER209G, SER209H, SER231G, SER231H, SER233G, SER233H, SER319G, SER319H, THR154G, THR154H, THR202G, THR202H, THR216G, THR216H, THR217G, THR217H, THR223G, THR223H, THR244G, THR244H, THR255G, THR255H, THR269G, THR269H, THR322G, TYR158G, TYR158H, TYR200G, TYR200H, TYR236G, TYR236H, VAL146G, VAL146H, VAL152G, VAL152H, VAL199G, VAL199H, VAL228G, VAL228H, VAL253G, VAL253H, VAL261G, VAL261H, VAL326G, VAL326H