3LK3

crystal structure of capz bound to the cpi and csi uncapping motifs from carmil

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 273
  • Norm. En. per Res.: -5.7426
• 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	-245.2708	-103.4967	-1218.97	-1567.7375	273	65	25	47164	7	80	69
A-T	-53.318	-19.3965	-298.165	-370.8795	117	10	9	11945	5	47	33
B-T	-103.199	-112.5686	-477.682	-693.4496	149	27	2	19115	16	72	47

Interface residues

• A-B: ALA100B, ALA103B, ALA137B, ALA17A, ALA18A, ALA211B, ALA235A, ALA242A, ALA248B, ALA24A, ALA257A, ALA9B, ARG108B, ARG14B, ARG15A, ARG15B, ARG172A, ARG174A, ARG195B, ARG215B, ARG225B, ARG244B, ARG259A, ARG260A, ARG37A, ARG7A, ARG7A5, ASN102B, ASN138A, ASN167A, ASN170A, ASN180B, ASN188B, ASN203A, ASN212B, ASN222B, ASN229B, ASN234A, ASN237A, ASN241B, ASN246A, ASN24B, ASN272A, ASN30A, ASN34A, ASN41A, ASP105B, ASP109B, ASP10A, ASP11B, ASP134A, ASP139B, ASP149B, ASP201A, ASP205B, ASP211A, ASP219B, ASP238B, ASP247B, ASP252A, ASP270A, ASP27B, ASP30B, ASP35A, ASP3B, ASP7B, CB8.04619-16.01747, CYS147B, CYS8B, GLN106B, GLN162A, GLN164A, GLN178B, GLN195A, GLN196B, GLN19B, GLN205A, GLN20B, GLN240A, GLN248A, GLN261A, GLN4B, GLN5B, GLU113B, GLU12A, GLU159A, GLU200A, GLU218B, GLU221B, GLU230B, GLU233A, GLU236A, GLU238A, GLU245A, GLU28A, GLU31A, GLU99B, GLY114B, GLY115B, GLY138B, GLY139A, GLY140B, GLY146B, GLY171A, GLY183B, GLY185B, GLY190B, GLY191B, GLY202A, GLY214B, GLY234B, GLY242B, GLY27A, HIS135A, HIS152B, HIS161A, HIS197A, HIS209A, HIS209B, HIS23A, ILE132B, ILE134B, ILE144B, ILE158A, ILE16A, ILE194A, ILE210B, ILE212A, ILE213B, ILE21A, ILE21B, ILE224B, ILE231B, ILE232A, ILE239B, ILE243A, ILE246B, ILE249B, ILE269A, ILE274A, ILE29B, LEU10B, LEU110B, LEU12B, LEU16B, LEU175B, LEU177B, LEU189B, LEU192A, LEU193B, LEU206A, LEU216B, LEU228B, LEU243B, LEU258A, LEU25B, LEU262A, LEU275A, LEU28B, LEU31B, LEU35B, LEU38A, LEU39A, LEU39B, LEU40A, LEU45A, LEU46A, LEU6B, LEU96B, LYS133A, LYS135B, LYS136B, LYS13A, LYS142B, LYS143B, LYS145B, LYS181B, LYS193A, LYS199B, LYS19A, LYS210A, LYS223B, LYS235B, LYS237B, LYS23B, LYS256A, LYS268A, LYS273A, MET13B, MET174B, MET187B, MET197B, MET220B, MET250A, PHE104B, PHE112B, PHE163A, PHE168A, PHE20A, PHE233B, PHE255A, PHE29A, PHE33A, PRO137A, PRO165A, PRO17B, PRO18B, PRO208B, PRO250B, PRO25A, PRO263A, PRO26A, PRO33B, SER141B, SER150B, SER160A, SER175A, SER184B, SER192B, SER206B, SER207B, SER208A, SER226B, SER244A, SER245B, SER251A, SER26B, SER276A, SER2B, SER34B, SER9A, THR172B, THR179B, THR182B, THR186B, THR194B, THR227B, THR22A, THR236B, THR241A, THR249A, THR253A, THR254A, THR265A, THR267A, TRP148B, TRP169A, TRP173A, TRP176B, TRP177A, TRP271A, TYR107B, TYR111B, TYR131A, TYR136A, TYR198A, TYR199A, TYR232B, TYR239A, TYR247A, VAL132A, VAL14A, VAL173B, VAL196A, VAL204A, VAL207A, VAL217B, VAL240B, VAL264A, VAL32A, VAL32B, VAL36A, VAL8A
• A-T: ALA156A, ALA189A, ALA190A, ALA24A, ALA50A, ALA51A, ARG102A, ARG172A, ARG174A, ARG37A, ARG47A, ASN167A, ASN170A, ASN203A, ASN30A, ASN34A, ASN41A, ASN42A, ASN44A, ASP1023T, ASP1027T, ASP201A, ASP211A, ASP35A, ASP43A, ASP60A, ASP99A, CYS157A, GLN164A, GLN195A, GLN205A, GLN213A, GLN56A, GLN61A, GLU1024T, GLU1028T, GLU176A, GLU200A, GLU28A, GLU31A, GLU48A, GLU78A, GLU973T, GLU977T, GLU978T, GLU983T, GLY1025T, GLY202A, GLY27A, GLY979T, HIS100A, HIS197A, HIS209A, HIS23A, HIS79A, HIS984T, ILE148A, ILE154A, ILE155A, ILE194A, ILE212A, ILE971T, LEU101A, LEU192A, LEU206A, LEU38A, LEU40A, LEU45A, LEU46A, LEU974T, LEU982T, LYS1032T, LYS1033T, LYS103A, LYS166A, LYS178A, LYS193A, LYS210A, LYS980T, LYS981T, MET59A, PHE1029T, PHE1030T, PHE163A, PHE168A, PHE179A, PHE29A, PHE33A, PHE54A, PHE62A, PHE985T, PRO165A, PRO25A, PRO26A, PRO975T, SER175A, SER208A, SER972T, SER976T, THR1031T, THR1035T, THR180A, THR22A, THR77A, TRP169A, TRP173A, TRP177A, TYR199A, TYR239A, TYR57A, VAL1026T, VAL1034T, VAL188A, VAL191A, VAL196A, VAL207A, VAL32A
• B-T: ALA1001T, ALA1002T, ALA129B, ALA87B, ALA9B, ARG1021T, ARG14B, ARG15B, ARG195B, ARG66B, ARG72B, ARG989T, ARG992T, ASN180B, ASN188B, ASN24B, ASN65B, ASN993T, ASP1023T, ASP1027T, ASP11B, ASP123B, ASP125B, ASP149B, ASP27B, ASP30B, ASP38B, ASP3B, ASP44B, ASP63B, ASP67B, ASP69B, ASP7B, ASP80B, ASP85B, CYS1004T, CYS147B, CYS36B, CYS62B, CYS8B, GLN1000T, GLN157B, GLN178B, GLN196B, GLN19B, GLN20B, GLN45B, GLN4B, GLN996T, GLN997T, GLU1024T, GLU1028T, GLU155B, GLU22B, GLU37B, GLU84B, GLU977T, GLU978T, GLU983T, GLY1025T, GLY130B, GLY146B, GLY190B, GLY191B, GLY68B, GLY86B, HIS152B, HIS984T, ILE151B, ILE21B, ILE29B, LEU10B, LEU121B, LEU124B, LEU12B, LEU133B, LEU169B, LEU16B, LEU175B, LEU177B, LEU189B, LEU193B, LEU25B, LEU28B, LEU35B, LEU39B, LEU40B, LEU47B, LEU61B, LEU6B, LEU83B, LEU982T, LEU988T, LYS1032T, LYS135B, LYS145B, LYS168B, LYS23B, LYS48B, LYS980T, LYS981T, LYS987T, LYS991T, LYS994T, LYS995T, MET13B, MET174B, MET187B, MET88B, PHE1029T, PHE1030T, PHE128B, PHE985T, PRO17B, PRO18B, PRO46B, PRO81B, PRO89B, PRO990T, PRO998T, SER171B, SER192B, SER26B, SER2B, SER41B, SER42B, SER70B, SER976T, THR170B, THR172B, THR179B, THR186B, THR194B, THR986T, THR999T, TRP122B, TRP176B, TYR120B, TYR64B, TYR71B, TYR79B, VAL1003T, VAL1022T, VAL1026T, VAL131B, VAL153B, VAL154B, VAL156B, VAL43B