2PV3

crystallographic structure of sura fragment lacking the second peptidyl-prolyl isomerase domain complexed with peptide nftlkfwdifrk

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 50
  • Norm. En. per Res.: -3.1791
• 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	-73.5075	5.07	-566.91	-635.3475	243	38	0	23971	3	58	80
A-C	-6.2886	-1.9427	-150.722	-158.9533	50	1	3	5739	0	4	5
B-C	-4.4087	6.7166	-95.8169	-93.509	50	2	2	4271	0	5	4

Interface residues

• A-B: ALA101A, ALA101B, ALA104A, ALA104B, ALA161A, ALA161B, ALA170A, ALA170B, ALA244A, ALA244B, ALA391A, ALA391B, ALA392A, ALA392B, ALA397A, ALA397B, ALA410A, ALA410B, ALA411A, ALA411B, ALA53A, ALA56A, ALA56B, ALA99A, ALA99B, ARG133A, ARG133B, ARG142A, ARG142B, ARG147A, ARG147B, ARG148B, ARG235A, ARG235B, ARG260A, ARG260B, ARG396A, ARG396B, ARG399A, ARG399B, ARG404A, ARG404B, ARG57A, ARG57B, ARG73A, ARG73B, ASN102A, ASN102B, ASN107A, ASN107B, ASN108B, ASN143A, ASN143B, ASN144A, ASN144B, ASN166A, ASN166B, ASN168A, ASN168B, ASN175B, ASN186A, ASN271A, ASN271B, ASN403A, ASN403B, ASN52A, ASN52B, ASP169A, ASP169B, ASP272A, ASP272B, ASP395A, ASP395B, ASP77A, ASP77B, ASP93A, ASP97A, ASP97B, GLN106A, GLN106B, GLN131A, GLN155A, GLN155B, GLN162A, GLN162B, GLN163A, GLN163B, GLN167B, GLN223A, GLN223B, GLN224B, GLN237A, GLN237B, GLN245A, GLN245B, GLN393A, GLN393B, GLN55A, GLN55B, GLN58A, GLN58B, GLN59A, GLN59B, GLN95A, GLN95B, GLN98A, GLN98B, GLU135A, GLU135B, GLU140A, GLU140B, GLU145B, GLU156A, GLU156B, GLU158A, GLU158B, GLU173A, GLU173B, GLU185A, GLU185B, GLU238A, GLU238B, GLU408A, GLU408B, GLU409B, GLU94A, GLU94B, GLY165A, GLY165B, GLY234A, GLY234B, GLY241A, GLY241B, GLY253A, GLY253B, GLY262A, GLY262B, GLY264A, GLY264B, HIS266A, HIS266B, ILE100A, ILE100B, ILE103A, ILE103B, ILE132A, ILE132B, ILE137A, ILE137B, ILE138A, ILE138B, ILE150A, ILE150B, ILE152A, ILE152B, ILE236A, ILE236B, ILE242A, ILE242B, ILE259A, ILE259B, ILE80A, ILE80B, ILE91A, ILE91B, LEU153A, LEU153B, LEU160A, LEU160B, LEU174B, LEU239A, LEU239B, LEU273A, LEU273B, LEU401A, LEU401B, LEU96A, LEU96B, LYS105A, LYS105B, LYS134A, LYS134B, LYS251A, LYS251B, LYS252A, LYS252B, LYS394A, LYS394B, LYS405A, LYS405B, LYS90A, LYS90B, MET136A, MET136B, MET400A, MET400B, MET402A, MET402B, MET414A, MET414B, MET76A, MET76B, PHE243A, PHE243B, PHE406A, PHE406B, PRO154A, PRO154B, PRO240A, PRO240B, SER139A, SER139B, SER159A, SER159B, SER171A, SER171B, SER261A, SER261B, SER407A, SER407B, SER92A, SER92B, THR151A, THR172A, THR172B, TRP233A, TRP233B, TYR128A, TYR128B, TYR398A, TYR398B, VAL146A, VAL146B, VAL157A, VAL157B, VAL164A, VAL164B, VAL263A, VAL263B, VAL270A, VAL270B, VAL89A, VAL89B
• A-C: ALA221A, ARG235A, ARG260A, ASN175A, ASN1C, ASP222A, ASP8C, GLN223A, GLN224A, GLN230A, GLN237A, GLU173A, GLU238A, GLY229A, GLY232A, GLY234A, GLY262A, GLY264A, HIS178A, HIS266A, ILE179A, ILE236A, ILE242A, ILE259A, ILE267A, ILE9C, LEU174A, LEU176A, LEU180A, LEU239A, LEU247A, LEU268A, LEU4C, LYS269A, LYS5C, MET231A, PHE10C, PHE243A, PHE2C, PHE6C, PRO182A, PRO240A, SER177A, SER220A, SER261A, THR172A, THR3C, TRP233A, TRP7C, VAL263A
• B-C: ALA221B, ARG235B, ARG260B, ASN175B, ASN1C, ASP222B, ASP8C, GLN223B, GLN224B, GLN237B, GLU185B, GLU238B, GLY229B, GLY232B, GLY234B, GLY241B, GLY262B, GLY264B, HIS178B, HIS266B, ILE179B, ILE181B, ILE242B, ILE259B, ILE267B, ILE9C, LEU174B, LEU176B, LEU180B, LEU239B, LEU247B, LEU268B, LEU4C, LYS269B, LYS5C, MET231B, PHE10C, PHE212B, PHE243B, PHE265B, PHE2C, PHE6C, PRO240B, SER177B, SER220B, SER261B, THR3C, TRP233B, TRP7C, VAL263B