2XS3

structure of karilysin catalytic mmp domain

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 40
  • Norm. En. per Res.: -3.5455
• 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-C	-26.0549	0.0	-115.764	-141.8189	40	4	6	3951	0	0	0
A-B	-13.2278	-19.2354	-77.4708	-109.934	41	6	3	3582	2	4	2
B-D	-25.7829	0.0	-117.487	-143.2699	43	2	7	4034	0	0	0

Interface residues

• A-C: ALA116A, ALA118A, ALA153A, ALA154A, ALA171A, ALA201C, ASP148A, GLU138A, GLU156A, GLU164A, GLY113A, GLY179A, HIS117A, HIS155A, HIS159A, HIS165A, ILE114A, ILE147A, ILE150A, ILE157A, LEU115A, LEU132A, LEU149A, LEU172A, LYS181A, MET173A, PHE134A, PHE202C, PRO175A, SER204C, THR112A, THR151A, THR178A, THR203C, TRP140A, TYR120A, TYR174A, TYR176A, TYR177A, VAL152A
• A-B: ALA191B, ALA91A, ARG68A, ASN167B, ASN186B, ASN87A, ASP187B, ASP194B, ASP92A, CYS189B, GLN84A, GLN90A, GLY197B, ILE163B, ILE83A, LEU190B, LEU195B, LEU37B, LEU47A, LEU80A, LYS41B, LYS44A, LYS48A, PHE200B, PHE82A, PRO199B, SER81A, THR45A, THR46A, THR79A, THR79B, TRP193B, TYR196B, TYR198B, TYR35B, TYR49A, TYR86A, VAL168B, VAL192B, VAL36B, VAL85A
• B-D: ALA116B, ALA118B, ALA153B, ALA154B, ALA171B, ALA201D, ASN111B, ASP148B, GLU138B, GLU156B, GLU164B, GLY113B, GLY179B, HIS117B, HIS155B, HIS159B, HIS165B, ILE114B, ILE147B, ILE150B, ILE157B, LEU115B, LEU132B, LEU149B, LEU172B, LYS181B, MET173B, PHE108B, PHE134B, PHE202D, PRO175B, SER204D, THR112B, THR151B, THR178B, THR203D, TRP140B, TYR106B, TYR120B, TYR174B, TYR176B, TYR177B, VAL152B