3CSQ

crystal and cryoem structural studies of a cell wall degrading enzyme in the bacteriophage phi29 tail

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 118
  • Norm. En. per Res.: -1.4669
• 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	0.0	0.0	-0.5641	-0.5641	10	0	0	122	0	3	3
A-C	-10.1164	9.0856	-79.1747	-80.2055	100	6	2	5352	0	20	19
B-C	-16.3164	0.0932	-109.642	-125.8652	106	6	2	6314	0	21	23
B-D	-12.3974	-3.4805	-157.215	-173.0928	118	13	3	8531	0	27	25
C-D	0.0	11.1388	-0.9641	10.1746	11	0	0	147	0	9	6

Interface residues

• A-B: ARG126B, ASN81A, ASP254A, GLU127B, GLY84A, LEU85A, LYS327B, PRO145B, PRO86A, THR124B
• A-C: ALA134C, ALA140C, ALA224A, ALA301A, ALA73A, ARG111C, ARG138C, ARG239C, ASN102A, ASN103A, ASN109C, ASN141C, ASN143C, ASN23A, ASN28A, ASN75A, ASN78A, ASN81A, ASP112C, ASP228A, ASP254A, ASP285C, CYS213A, GLN144C, GLN290A, GLN290C, GLN33C, GLN83A, GLU100A, GLU117C, GLU127C, GLU137C, GLU230C, GLU288A, GLU288C, GLU304C, GLY256A, GLY286C, GLY291A, GLY29A, GLY29C, GLY302C, GLY84A, ILE108C, ILE131C, ILE284C, ILE77A, ILE98A, LEU110C, LEU133C, LEU25A, LEU305C, LEU85A, LYS116A, LYS120A, LYS120C, LYS123C, LYS229A, LYS257A, LYS258A, LYS287A, LYS287C, LYS295C, LYS95A, MET113C, MET130C, PRO139C, PRO142C, PRO145C, PRO72A, SER121C, SER135C, SER237C, SER26A, SER27A, SER62A, SER74A, SER82A, THR122C, THR124C, THR212A, THR226A, THR242A, THR303C, THR31C, THR61A, TRP215A, TRP225A, TRP292A, TRP30A, TRP79A, TRP99A, TYR155C, TYR240C, TYR24A, TYR289A, VAL101A, VAL214A, VAL238C, VAL255A
• B-C: ALA134B, ALA140B, ALA224C, ALA301C, ALA73C, ARG111B, ARG138B, ARG239B, ARG96C, ASN102C, ASN103C, ASN109B, ASN141B, ASN143B, ASN28C, ASN75C, ASN78C, ASN81C, ASP112B, ASP228C, ASP254C, ASP285B, ASP91C, CYS213C, GLN144B, GLN290B, GLN290C, GLN33B, GLN83C, GLU117B, GLU127B, GLU230B, GLU288B, GLU288C, GLU304B, GLY256C, GLY286B, GLY291C, GLY29B, GLY29C, GLY302B, GLY302C, GLY84C, ILE108B, ILE119B, ILE119C, ILE131B, ILE284B, ILE77C, ILE98C, LEU110B, LEU128B, LEU133B, LEU25C, LEU305B, LEU85C, LEU94C, LYS116C, LYS120B, LYS120C, LYS123B, LYS229C, LYS257C, LYS258C, LYS287B, LYS287C, LYS295B, LYS32B, LYS95C, MET113B, MET130B, PRO125B, PRO139B, PRO142B, PRO145B, PRO72C, SER121B, SER135B, SER227C, SER237B, SER26C, SER27C, SER62C, SER74C, SER82C, THR122B, THR124B, THR212C, THR226C, THR242C, THR303B, THR31B, THR61C, TRP215C, TRP225C, TRP292C, TRP79C, TRP99C, TYR155B, TYR240B, TYR240C, TYR24C, TYR289C, VAL214C, VAL238B, VAL255C
• B-D: ALA105B, ALA134D, ALA140D, ALA224B, ALA301B, ALA73B, ALA80B, ARG111D, ARG138D, ARG239D, ARG96B, ASN102B, ASN103B, ASN104B, ASN109D, ASN141D, ASN143D, ASN23B, ASN28B, ASN75B, ASN78B, ASN81B, ASP112D, ASP228B, ASP235D, ASP254B, ASP285D, CYS213B, GLN106B, GLN290B, GLN290D, GLN33D, GLN83B, GLU100B, GLU117D, GLU127D, GLU230D, GLU288B, GLU288D, GLU304D, GLY236D, GLY256B, GLY286D, GLY291B, GLY29B, GLY29D, GLY302B, GLY302D, GLY84B, ILE108B, ILE108D, ILE119B, ILE119D, ILE131D, ILE241D, ILE284D, ILE77B, ILE98B, LEU110D, LEU133D, LEU166D, LEU25B, LEU305D, LEU85B, LEU94B, LYS116B, LYS120B, LYS120D, LYS123D, LYS156D, LYS229B, LYS257B, LYS258B, LYS287B, LYS287D, LYS32D, LYS95B, MET113D, MET130D, MET232D, PRO125D, PRO139D, PRO142D, PRO145D, PRO72B, SER121D, SER135D, SER227B, SER237D, SER26B, SER27B, SER62B, SER74B, SER82B, THR122D, THR124D, THR212B, THR226B, THR303D, THR31D, THR61B, TRP215B, TRP225B, TRP292B, TRP30B, TRP331D, TRP79B, TRP99B, TYR155D, TYR240B, TYR240D, TYR24B, TYR289B, TYR76B, VAL214B, VAL231D, VAL238D, VAL255B
• C-D: ARG126D, ARG216C, ASP254C, ASP325D, GLN83C, GLU127D, GLY84C, LEU85C, LYS327D, PRO86C, THR124D