2FEC

structure of the e203q mutant of the cl-/h+ exchanger clc- ec1 from e.coli

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: I-L
  • Int. Res.: 191
  • Norm. En. per Res.: -3.4868
• Hub Node: A(5)

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	-40.0564	-59.7605	-828.878	-928.6949	287	71	32	38487	5	53	60
A-J	-26.0898	-22.3413	-117.979	-166.4101	49	4	1	4114	2	5	8
A-O	0.0	0.0	-28.5338	-28.5338	20	0	0	1126	0	1	1
A-I	0.0	0.0	-24.7085	-24.7085	12	0	0	847	0	6	3
A-L	0.0	3.4605	-9.2112	-5.7507	12	0	0	329	0	4	3
B-J	0.0	0.0	-26.1082	-26.1082	12	0	0	836	0	5	3
B-O	0.0	0.0	-6.1507	-6.1507	11	3	0	321	0	5	4
B-I	-14.9705	-21.2052	-96.0537	-132.2294	49	6	1	3815	2	6	7
B-L	0.0	3.4019	-28.8972	-25.4953	15	0	0	1124	0	1	1
J-O	-43.6824	-33.7933	-521.64	-599.1158	194	8	10	19985	2	13	12
J-I	0.0	0.0	-0.0312	-0.0312	7	0	0	17	0	5	6
I-L	-64.1794	-39.4594	-562.345	-665.9838	191	33	10	21089	2	13	13

Interface residues

• A-B: ALA187A, ALA187B, ALA192A, ALA192B, ALA195A, ALA195B, ALA217A, ALA217B, ALA247A, ALA247B, ALA34A, ALA34B, ALA399A, ALA399B, ALA39A, ALA39B, ALA400A, ALA400B, ALA404A, ALA404B, ALA40A, ALA40B, ALA432A, ALA432B, ALA436A, ALA436B, ALA447A, ALA447B, ALA450A, ALA450B, ALA454A, ALA454B, ALA458A, ALA458B, ARG120A, ARG120B, ARG17A, ARG17A5, ARG18A, ARG18B, ARG19A, ARG19B, ARG205A, ARG205B, ARG209A, ARG209B, ARG230A, ARG230B, ARG23A, ARG23B, ARG28A, ARG28B, ARG403A, ARG403B, ARG451A, ARG451B, ASN191A, ASN191B, ASN233A, ASN233B, ASN418A, ASN418B, ASP118A, ASP118B, ASP246A, ASP246B, ASP29A, ASP29B, ASP417A, ASP417B, CB9.48119-42.83002, CB9.49990-32.19341, GLN119A, GLN119B, GLN203A, GLN203B, GLN207A, GLN207B, GLN20A, GLN20B, GLN24A, GLN24B, GLN420A, GLN420B, GLN437A, GLN437B, GLN456A, GLN456B, GLN460A, GLU113A, GLU113B, GLU117A, GLU117B, GLU202A, GLU202B, GLU235A, GLU235B, GLU27A, GLU27B, GLU414A, GLU414B, GLU457A, GLU457B, GLU459A, GLY114A, GLY114B, GLY221A, GLY221B, GLY408A, GLY429A, GLY429B, GLY431A, GLY431B, GLY440A, GLY440B, GLY441A, GLY441B, HIS175B, HIS234A, HIS234B, ILE197A, ILE197B, ILE200A, ILE201A, ILE201B, ILE213A, ILE213B, ILE215A, ILE215B, ILE220A, ILE220B, ILE223A, ILE223B, ILE227A, ILE227B, ILE22A, ILE22B, ILE231A, ILE231B, ILE35B, ILE402A, ILE402B, ILE409A, ILE409B, ILE410A, ILE410B, ILE422A, ILE422B, ILE426A, ILE426B, ILE427A, ILE427B, ILE448A, ILE448B, LEU116A, LEU116B, LEU194A, LEU194B, LEU198A, LEU198B, LEU212A, LEU212B, LEU21A, LEU21B, LEU249A, LEU249B, LEU252A, LEU252B, LEU256A, LEU256B, LEU25A, LEU25B, LEU26A, LEU26B, LEU274A, LEU274B, LEU33A, LEU33B, LEU36A, LEU36B, LEU406A, LEU406B, LEU411A, LEU411B, LEU413A, LEU413B, LEU421A, LEU421B, LEU423A, LEU423B, LEU430A, LEU430B, LEU434A, LEU434B, LEU435A, LEU435B, LEU444B, LEU449A, LEU449B, LEU453A, LEU453B, LYS216A, LYS216B, LYS243A, LYS243B, LYS30A, LYS30B, LYS442A, LYS442B, LYS455A, LYS455B, MET204A, MET204B, MET224A, MET224B, MET228A, MET228B, MET415A, MET415B, MET425A, MET425B, PHE190A, PHE190B, PHE199A, PHE199B, PHE208A, PHE208B, PHE219A, PHE219B, PHE232A, PHE232B, PHE37A, PHE37B, PHE438A, PHE438B, PRO110A, PRO110B, PRO121A, PRO193A, PRO193B, PRO206A, PRO206B, PRO248A, PRO248B, PRO32A, PRO32B, PRO405A, PRO405B, PRO424A, PRO424B, PRO443A, PRO443B, SER214A, SER214B, SER225A, SER225B, SER446A, SER446B, THR211A, THR211B, THR226A, THR226B, THR31A, THR31B, THR407A, THR407B, THR416A, THR416B, THR428A, THR428B, THR433A, THR433B, THR439A, THR452A, THR452B, TYR210A, TYR210B, TYR229A, TYR229B, TYR419A, TYR419B, TYR445A, TYR445B, VAL218A, VAL218B, VAL222A, VAL222B
• A-J: ALA247A, ALA325A, ALA386A, ARG31J, ASN250A, ASN327A, ASN52J, ASN59J, ASP246A, GLN381A, GLN420A, GLU377A, GLU385A, GLU50J, GLY102J, GLY104J, GLY242A, GLY326A, HIS383A, ILE51J, LEU244A, LEU249A, LEU252A, LEU384A, LEU99J, LYS243A, MET34J, PHE108J, PHE379A, PRO248A, PRO380A, PRO53J, SER245A, SER35J, SER56J, THR251A, THR57J, TRP106J, TRP33J, TRP47J, TYR100J, TYR101J, TYR103J, TYR105J, TYR107J, TYR382A, VAL241A, VAL376A, VAL54J
• A-O: ASN250A, ASP49O, GLN381A, GLN88O, GLN89O, GLN95O, HIS383A, HIS93O, LEU249A, LEU378A, LYS52O, PHE379A, PRO380A, PRO94O, SER30O, SER91O, SER92O, TRP90O, TYR31O, TYR382A
• A-I: ARG230A, ASN233A, GLU235A, GLY102I, GLY104I, HIS234A, ILE231A, PHE232A, TYR100I, TYR101I, TYR103I, TYR107I
• A-L: ARG230A, ARG45L, ASP49L, GLU235A, HIS234A, ILE231A, LEU53L, LYS52L, PHE232A, TYR31L, TYR48L, VAL236A
• B-J: ARG230B, ASN233B, GLU235B, GLY102J, GLY104J, HIS234B, ILE231B, PHE232B, TYR100J, TYR101J, TYR103J, TYR107J
• B-O: ARG230B, ARG45O, ASN233B, ASP49O, GLU235B, HIS234B, ILE231B, LYS52O, PHE232B, TYR31O, TYR48O
• B-I: ALA247B, ALA325B, ALA386B, ARG31I, ASN250B, ASN327B, ASN52I, ASN59I, ASP246B, GLN381B, GLN420B, GLU377B, GLU385B, GLU50I, GLY102I, GLY104I, GLY242B, GLY326B, HIS383B, ILE51I, LEU244B, LEU249B, LEU252B, LEU384B, LEU99I, LYS243B, PHE108I, PHE379B, PRO248B, PRO380B, PRO53I, SER245B, SER35I, SER56I, THR251B, THR57I, TRP106I, TRP253B, TRP33I, TRP47I, TYR100I, TYR101I, TYR103I, TYR105I, TYR107I, TYR32I, TYR382B, VAL376B, VAL54I
• B-L: ASN250B, GLN381B, GLN95L, HIS383B, HIS93L, LEU249B, LYS52L, PHE379B, PRO380B, PRO94L, SER91L, SER92L, TRP90L, TYR31L, TYR382B
• J-O: ALA113J, ALA129O, ALA133J, ALA137J, ALA138J, ALA139J, ALA141J, ALA168J, ALA169J, ALA176J, ALA211O, ALA97J, ARG210O, ARG221J, ARG38J, ARG45O, ARG98J, ASN136O, ASN137O, ASN156O, ASN160O, ASN209O, ASN59J, ASP109J, ASP164O, ASP166O, ASP169O, ASP1O, ASP49O, CYS133O, CYS148J, CYS87O, CYS96J, GLN123O, GLN165O, GLN179J, GLN37O, GLN39J, GLN6O, GLN88O, GLN89O, GLN95O, GLU122O, GLU50J, GLU6J, GLY100O, GLY102J, GLY104J, GLY112J, GLY114J, GLY127O, GLY128O, GLY135J, GLY147J, GLY157O, GLY170J, GLY40O, GLY42J, GLY44J, GLY49J, GLY98O, GLY99O, HIS172J, HIS33O, HIS93O, ILE116O, ILE218J, ILE32O, ILE47O, ILE48J, ILE51J, ILE58J, LEU124O, LEU132J, LEU135O, LEU146J, LEU149J, LEU159O, LEU178J, LEU180O, LEU182J, LEU185J, LEU45J, LEU4J, LEU4O, LEU93J, LEU99J, LYS151J, LYS168O, LYS206O, LYS216J, LYS217J, LYS38O, LYS43J, LYS44O, LYS46J, LYS52O, MET143J, MET174O, MET34J, PHE108J, PHE117O, PHE134O, PHE138O, PHE174J, PHE208O, PHE97O, PRO118O, PRO119O, PRO131J, PRO134J, PRO175J, PRO43O, PRO62J, PRO94O, SER115O, SER120O, SER121O, SER126O, SER128J, SER130O, SER136J, SER161O, SER167O, SER173O, SER175O, SER176O, SER186J, SER187J, SER188J, SER207O, SER30O, SER35J, SER42O, SER51O, SER91O, SER92O, THR113O, THR125O, THR145J, THR163O, THR171O, THR173J, THR177O, THR179O, THR184J, THR190J, THR41O, THR50O, THR54O, THR61J, THR84O, THR96O, TRP106J, TRP111J, TRP162J, TRP162O, TRP196J, TRP33J, TRP34O, TRP36J, TRP46O, TRP47J, TRP90O, TYR100J, TYR101J, TYR103J, TYR105J, TYR107J, TYR130J, TYR172O, TYR183J, TYR185O, TYR31O, TYR35O, TYR48O, TYR60J, TYR85O, TYR86O, TYR95J, VAL110J, VAL114O, VAL129J, VAL131O, VAL132O, VAL144J, VAL158O, VAL171J, VAL177J, VAL189J, VAL219J, VAL29O, VAL37J, VAL3O
• J-I: ALA75I, ALA75J, ASP77I, ASP77J, GLY26J, SER25I, SER25J
• I-L: ALA113I, ALA129L, ALA133I, ALA137I, ALA138I, ALA139I, ALA168I, ALA169I, ALA176I, ALA180I, ALA211L, ALA97I, ARG210L, ARG221I, ARG38I, ARG45L, ARG98I, ASN136L, ASN137L, ASN156L, ASN160L, ASN209L, ASN59I, ASP109I, ASP164L, ASP166L, ASP169L, ASP1L, ASP49L, CYS133L, CYS148I, CYS87L, GLN123L, GLN179I, GLN36L, GLN37L, GLN39I, GLN6L, GLN88L, GLN89L, GLN95L, GLU122L, GLU50I, GLU6I, GLY100L, GLY102I, GLY104I, GLY112I, GLY114I, GLY127L, GLY128L, GLY135I, GLY147I, GLY157L, GLY170I, GLY40L, GLY42I, GLY44I, GLY49I, GLY98L, GLY99L, HIS172I, HIS33L, HIS93L, ILE116L, ILE218I, ILE32L, ILE47L, ILE48I, ILE51I, LEU124L, LEU132I, LEU135L, LEU146I, LEU149I, LEU159L, LEU178I, LEU178L, LEU180L, LEU182I, LEU185I, LEU45I, LEU93I, LEU99I, LYS102L, LYS151I, LYS168L, LYS206L, LYS216I, LYS217I, LYS43I, LYS44L, LYS46I, LYS52L, MET143I, MET174L, MET34I, PHE108I, PHE117L, PHE134L, PHE138L, PHE174I, PHE208L, PHE97L, PRO118L, PRO119L, PRO131I, PRO134I, PRO175I, PRO43L, PRO62I, PRO94L, SER115L, SER120L, SER121L, SER126L, SER128I, SER130L, SER136I, SER161L, SER173L, SER175L, SER176L, SER186I, SER187I, SER188I, SER207L, SER30L, SER35I, SER39L, SER42L, SER51L, SER91L, SER92L, THR113L, THR125L, THR145I, THR163L, THR171L, THR173I, THR177L, THR179L, THR184I, THR190I, THR41L, THR50L, THR54L, THR61I, THR84L, THR96L, TRP106I, TRP111I, TRP162I, TRP162L, TRP33I, TRP34L, TRP36I, TRP46L, TRP47I, TRP90L, TYR100I, TYR101I, TYR103I, TYR105I, TYR107I, TYR130I, TYR172L, TYR183I, TYR185L, TYR31L, TYR35L, TYR48L, TYR60I, TYR85L, TYR86L, TYR95I, VAL110I, VAL114L, VAL129I, VAL131L, VAL132L, VAL144I, VAL150I, VAL158L, VAL171I, VAL177I, VAL189I, VAL214I, VAL219I, VAL37I, VAL3L