2DWD

crystal structure of kcsa-fab-tba complex in tl+

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 39
  • Norm. En. per Res.: -4.9255
• Hub Node: A(2)

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	-45.8665	-25.153	-476.459	-547.4785	193	26	10	19253	1	20	23
A-C	-18.8563	-22.4051	-132.046	-173.3074	49	13	2	4907	5	8	8
B-C	-28.1484	-47.8281	-116.117	-192.0935	39	10	0	4115	3	6	7

Interface residues

• A-B: ALA106A, ALA110A, ALA130A, ALA130B, ALA134A, ALA135A, ALA173A, ALA51B, ALA58A, ALA97A, ARG100A, ARG211B, ARG218A, ARG39B, ARG45B, ARG98A, ASN137B, ASN138A, ASN138B, ASN161B, ASN210B, ASN212B, ASN41B, ASN59A, ASN61A, ASN85B, ASN92B, ASP102A, ASP165B, ASP167B, ASP170B, ASP1B, ASP219A, ASP32B, CYS134B, CYS145A, CYS88B, CYS96A, GLN124B, GLN136A, GLN176A, GLN37B, GLN38B, GLN39A, GLN6A, GLN6B, GLN89B, GLN90B, GLU123B, GLU46A, GLU50A, GLU53B, GLU62A, GLU99A, GLY101A, GLY101B, GLY103A, GLY109A, GLY111A, GLY129B, GLY132A, GLY144A, GLY158B, GLY167A, GLY42A, GLY42B, GLY44A, GLY49A, GLY99B, HIS169A, HIS34B, HIS35A, HIS43A, ILE117B, ILE215A, ILE2B, ILE33B, ILE48A, ILE48B, ILE55B, LEU125B, LEU129A, LEU136B, LEU143A, LEU146A, LEU160B, LEU175A, LEU179A, LEU179B, LEU181B, LEU182A, LEU3B, LEU45A, LEU46B, LEU47B, LEU4B, LYS148A, LYS169B, LYS207B, LYS213A, LYS214A, LYS38A, LYS49B, LYS63A, MET140A, MET175B, PHE105A, PHE118B, PHE135B, PHE139B, PHE171A, PHE209B, PHE96B, PHE98B, PRO119B, PRO120B, PRO128A, PRO131A, PRO154A, PRO172A, PRO44B, PRO95B, SER100B, SER116B, SER121B, SER122B, SER125A, SER127B, SER131B, SER133A, SER162B, SER165A, SER166A, SER168B, SER174B, SER176B, SER177A, SER177B, SER183A, SER184A, SER185A, SER208B, SER43B, SER91B, THR114B, THR126B, THR137A, THR142A, THR156A, THR164B, THR170A, THR172B, THR178B, THR180B, THR181A, THR187A, THR40B, THR97B, TRP108A, TRP159A, TRP163B, TRP193A, TRP33A, TRP35B, TRP36A, TRP47A, TRP94B, TYR104A, TYR127A, TYR173B, TYR180A, TYR186B, TYR36B, TYR50B, TYR60A, TYR86B, TYR87B, TYR95A, VAL107A, VAL115B, VAL126A, VAL132B, VAL133B, VAL141A, VAL147A, VAL159B, VAL168A, VAL174A, VAL186A, VAL206B, VAL216A, VAL37A, VAL93A
• A-C: ALA47C, ALA50C, ALA54C, ALA58A, ALA65C, ARG100A, ARG52C, ARG57A, ARG64C, ASN59A, ASN61A, ASP102A, ASP32A, GLU50A, GLU51C, GLU62A, GLU99A, GLY101A, GLY103A, GLY53C, GLY56A, GLY88C, HIS35A, ILE34A, ILE51A, ILE52A, ILE60C, LEU46C, LEU49C, LYS63A, PHE105A, PHE29A, PRO53A, PRO55C, PRO63C, SER31A, SER54A, THR30A, THR61C, THR85C, TRP33A, TRP47A, TRP87C, TYR104A, TYR45C, TYR55A, TYR60A, TYR62C, VAL48C
• B-C: ALA54C, ALA57C, ARG52C, ARG64C, ARG93B, ASN92B, ASP1B, ASP32B, ASP80C, GLN27B, GLN58C, GLN89B, GLN90B, GLU51C, GLY30B, GLY53C, GLY56C, GLY79C, HIS34B, ILE29B, ILE2B, ILE33B, ILE60C, LEU59C, LEU81C, PHE96B, PRO55C, PRO63C, PRO95B, SER28B, SER91B, THR31B, THR61C, TRP94B, TYR50B, TYR62C, TYR82C, VAL48C, VAL84C