3KCU

structure of formate channel

• Total interactions analyzed: 10
• Total true interactions: 10
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 157
  • Norm. En. per Res.: -2.8667
• 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	-29.3774	13.7645	-412.364	-427.9769	156	12	15	18274	0	11	10
A-C	0.0	0.0	-0.0378	-0.0378	3	0	0	15	0	0	2
A-D	0.0	0.0	-0.0335	-0.0335	4	0	0	22	0	0	2
A-E	-30.0838	7.4734	-391.069	-413.6793	151	8	15	17146	0	11	7
B-C	-22.3274	19.1447	-446.885	-450.0677	157	16	15	19090	0	12	10
B-D	0.0	0.0	-0.0322	-0.0322	3	0	0	15	0	0	2
B-E	0.0	0.0	-0.0376	-0.0376	4	0	0	17	0	0	2
C-D	-21.9101	7.4518	-392.507	-406.9653	146	15	14	17092	0	10	7
C-E	0.0	0.0	-0.0166	-0.0166	3	0	0	9	0	0	2
D-E	-18.7806	7.1582	-370.894	-382.5164	149	13	11	16593	0	10	7

Interface residues

• A-B: ALA141B, ALA164A, ALA171A, ALA178A, ALA192A, ALA192B, ALA200A, ALA204A, ALA38B, ALA41B, ALA48B, ALA55B, ALA67A, ALA67B, ALA87B, ARG186A, ARG186B, ARG280A, ASN142B, ASN148B, ASP190A, ASP190B, CYS166A, CYS176A, CYS74B, CYS82B, CYS85B, GLN144B, GLU137B, GLU163A, GLU208A, GLY136B, GLY168A, GLY185A, GLY206A, GLY261A, GLY265A, GLY271A, GLY58B, GLY60B, GLY65A, GLY71B, GLY72A, GLY78B, GLY86B, HIS155A, HIS159A, HIS30B, ILE162A, ILE169A, ILE194A, ILE264A, ILE277A, ILE39B, ILE47B, ILE53B, ILE73A, ILE73B, ILE80B, LEU127B, LEU130B, LEU131B, LEU134B, LEU167A, LEU170A, LEU173A, LEU177A, LEU188A, LEU188B, LEU197A, LEU268A, LEU269A, LEU272A, LEU279A, LEU32B, LEU37B, LEU69A, LEU77B, LEU81B, LEU95A, LYS191A, LYS191B, LYS29B, LYS33B, LYS68A, LYS68B, MET132B, MET139B, MET174A, MET181A, MET189A, MET189B, MET195A, MET195B, MET201A, MET62A, MET62B, MET66A, MET66B, PHE128B, PHE193A, PHE193B, PHE202A, PHE207A, PHE215B, PHE35B, PHE44B, PHE49B, PHE51B, PHE64A, PHE75B, PRO198A, PRO31B, PRO63A, PRO63B, SER135B, SER182A, SER184A, SER187A, SER187B, SER205A, SER46B, SER76B, THR140B, THR160A, THR273A, THR34B, THR40B, THR54B, THR56B, THR57B, THR59B, THR61A, THR61B, TRP133B, TRP145B, TRP180A, TRP275A, TYR138B, TYR183A, TYR274A, TYR278A, TYR36B, TYR52B, VAL165A, VAL196A, VAL196B, VAL199A, VAL203A, VAL276A, VAL43B, VAL50B, VAL70A, VAL70B, VAL83B, VAL84B
• A-C: ASP190A, MET189A, MET189C
• A-D: ASP190D, MET189A, MET189D, PHE193D
• A-E: ALA141A, ALA164E, ALA171E, ALA178E, ALA192A, ALA192E, ALA200E, ALA204E, ALA38A, ALA41A, ALA48A, ALA55A, ALA67A, ALA67E, ALA87A, ARG186A, ARG186E, ASN142A, ASN148A, ASP190A, ASP190E, CYS166E, CYS74A, CYS82A, CYS85A, GLN144A, GLU137A, GLU163E, GLU208E, GLY136A, GLY168E, GLY185E, GLY206E, GLY261E, GLY265E, GLY271E, GLY58A, GLY60A, GLY65E, GLY71A, GLY72A, GLY72E, GLY78A, GLY86A, HIS155E, HIS159E, ILE162E, ILE169E, ILE194E, ILE264E, ILE277E, ILE39A, ILE47A, ILE53A, ILE73A, ILE73E, ILE80A, LEU127A, LEU130A, LEU131A, LEU134A, LEU167E, LEU170E, LEU173E, LEU177E, LEU188A, LEU188E, LEU197E, LEU268E, LEU269E, LEU272E, LEU32A, LEU37A, LEU69A, LEU69E, LEU77A, LEU81A, LEU95E, LYS191A, LYS191E, LYS33A, LYS68A, LYS68E, MET132A, MET139A, MET174E, MET181E, MET189A, MET189E, MET195A, MET195E, MET201E, MET62A, MET62E, MET66A, MET66E, PHE128A, PHE193A, PHE193E, PHE202E, PHE207E, PHE215A, PHE35A, PHE44A, PHE49A, PHE51A, PHE64E, PHE75A, PRO198E, PRO63A, PRO63E, SER135A, SER182E, SER184E, SER187A, SER187E, SER205E, SER46A, SER76A, THR140A, THR160E, THR273E, THR34A, THR40A, THR54A, THR56A, THR57A, THR59A, THR61A, THR61E, TRP133A, TRP145A, TRP180E, TRP275E, TYR138A, TYR183E, TYR278E, TYR36A, TYR52A, VAL165E, VAL196A, VAL196E, VAL199E, VAL203E, VAL276E, VAL43A, VAL50A, VAL70A, VAL70E, VAL83A, VAL84A
• B-C: ALA141C, ALA164B, ALA171B, ALA178B, ALA192B, ALA192C, ALA200B, ALA204B, ALA38C, ALA41C, ALA48C, ALA55C, ALA67B, ALA67C, ALA87C, ARG186B, ARG186C, ARG280B, ASN142C, ASN148C, ASP190B, ASP190C, CYS166B, CYS176B, CYS74C, CYS82C, CYS85C, GLN144C, GLU137C, GLU163B, GLU208B, GLY136C, GLY168B, GLY185B, GLY206B, GLY261B, GLY265B, GLY58C, GLY60C, GLY65B, GLY71C, GLY72B, GLY72C, GLY78C, GLY86C, HIS155B, HIS159B, HIS30C, ILE162B, ILE169B, ILE194B, ILE264B, ILE277B, ILE39C, ILE47C, ILE53C, ILE73B, ILE73C, ILE80C, LEU127C, LEU130C, LEU131C, LEU134C, LEU167B, LEU170B, LEU173B, LEU177B, LEU188B, LEU188C, LEU197B, LEU268B, LEU269B, LEU272B, LEU279B, LEU32C, LEU37C, LEU69B, LEU69C, LEU77C, LEU81C, LEU95B, LYS191B, LYS191C, LYS29C, LYS33C, LYS68B, LYS68C, MET132C, MET139C, MET174B, MET181B, MET189B, MET189C, MET195B, MET195C, MET201B, MET62B, MET62C, MET66B, MET66C, PHE128C, PHE193B, PHE193C, PHE202B, PHE207B, PHE215C, PHE35C, PHE44C, PHE49C, PHE51C, PHE64B, PHE64C, PHE75C, PRO198B, PRO31C, PRO63B, PRO63C, SER135C, SER182B, SER184B, SER187B, SER187C, SER205B, SER46C, SER76C, THR140C, THR160B, THR273B, THR34C, THR40C, THR54C, THR56C, THR57C, THR59C, THR61B, THR61C, TRP133C, TRP145C, TRP180B, TRP275B, TYR138C, TYR183B, TYR278B, TYR36C, TYR52C, VAL165B, VAL196B, VAL196C, VAL199B, VAL203B, VAL276B, VAL43C, VAL50C, VAL70B, VAL70C, VAL83C, VAL84C
• B-D: ASP190B, MET189B, MET189D
• B-E: ASP190E, MET189B, MET189E, PHE193E
• C-D: ALA141D, ALA164C, ALA171C, ALA178C, ALA192C, ALA192D, ALA200C, ALA204C, ALA38D, ALA41D, ALA48D, ALA55D, ALA67C, ALA67D, ALA87D, ARG186C, ARG186D, ASN142D, ASN148D, ASP190C, ASP190D, CYS166C, CYS74D, CYS82D, CYS85D, GLN144D, GLU137D, GLU163C, GLU208C, GLY136D, GLY168C, GLY185C, GLY206C, GLY265C, GLY271C, GLY58D, GLY60D, GLY65C, GLY71D, GLY72C, GLY78D, GLY86D, HIS155C, HIS159C, HIS30D, ILE162C, ILE169C, ILE194C, ILE264C, ILE39D, ILE47D, ILE53D, ILE73C, ILE73D, ILE80D, LEU127D, LEU130D, LEU131D, LEU134D, LEU167C, LEU170C, LEU173C, LEU177C, LEU188C, LEU188D, LEU197C, LEU268C, LEU269C, LEU272C, LEU32D, LEU37D, LEU69C, LEU77D, LEU81D, LEU95C, LYS191C, LYS191D, LYS33D, LYS68C, LYS68D, MET132D, MET139D, MET174C, MET181C, MET189C, MET189D, MET195C, MET195D, MET201C, MET62C, MET62D, MET66C, MET66D, PHE128D, PHE193C, PHE193D, PHE202C, PHE207C, PHE215D, PHE35D, PHE44D, PHE49D, PHE51D, PHE64C, PHE75D, PRO198C, PRO63C, PRO63D, SER135D, SER182C, SER184C, SER187C, SER187D, SER205C, SER46D, SER76D, THR140D, THR160C, THR273C, THR34D, THR40D, THR54D, THR56D, THR57D, THR59D, THR61C, THR61D, TRP133D, TRP145D, TRP180C, TRP275C, TYR138D, TYR183C, TYR36D, TYR52D, VAL165C, VAL196C, VAL196D, VAL199C, VAL203C, VAL276C, VAL43D, VAL50D, VAL70C, VAL70D, VAL84D
• C-E: ASP190C, MET189C, MET189E
• D-E: ALA141E, ALA164D, ALA171D, ALA178D, ALA192D, ALA192E, ALA200D, ALA204D, ALA38E, ALA41E, ALA48E, ALA55E, ALA67D, ALA67E, ALA87E, ARG186D, ARG186E, ASN142E, ASN148E, ASP190D, ASP190E, CYS166D, CYS176D, CYS74E, CYS82E, CYS85E, GLN144E, GLU137E, GLU163D, GLU208D, GLY136E, GLY168D, GLY185D, GLY206D, GLY265D, GLY271D, GLY58E, GLY60E, GLY65D, GLY71E, GLY72D, GLY72E, GLY78E, GLY86E, HIS155D, HIS159D, ILE162D, ILE169D, ILE194D, ILE264D, ILE39E, ILE47E, ILE53E, ILE73D, ILE73E, ILE80E, LEU127E, LEU130E, LEU131E, LEU134E, LEU167D, LEU170D, LEU173D, LEU177D, LEU188D, LEU188E, LEU197D, LEU268D, LEU269D, LEU272D, LEU32E, LEU37E, LEU69D, LEU77E, LEU79E, LEU81E, LEU95D, LYS191D, LYS191E, LYS33E, LYS68D, LYS68E, MET132E, MET139E, MET174D, MET181D, MET189D, MET189E, MET195D, MET195E, MET201D, MET62D, MET62E, MET66D, MET66E, PHE128E, PHE193D, PHE193E, PHE202D, PHE207D, PHE215E, PHE35E, PHE44E, PHE49E, PHE51E, PHE64D, PHE75E, PRO198D, PRO63D, PRO63E, SER135E, SER182D, SER184D, SER187D, SER187E, SER205D, SER46E, SER76E, THR140E, THR160D, THR273D, THR40E, THR54E, THR56E, THR57E, THR59E, THR61D, THR61E, TRP133E, TRP145E, TRP180D, TRP275D, TYR138E, TYR183D, TYR274D, TYR36E, TYR52E, VAL165D, VAL196D, VAL196E, VAL199D, VAL203D, VAL276D, VAL43E, VAL50E, VAL70D, VAL70E, VAL83E, VAL84E