3KW0

crystal structure of cysteine peptidase (np_982244.1) from bacillus cereus atcc 10987 at 2.50 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 87
  • Norm. En. per Res.: -2.9265
• Hub Node: A(3)

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	3.0247	-146.08	-143.0553	97	3	3	6976	0	29	40
A-C	-12.5212	-20.5718	-221.509	-254.602	87	11	20	10676	2	18	39
A-D	0.0	1.4177	-2.0763	-0.6586	11	0	0	184	0	5	4
B-C	0.0	1.599	-2.9893	-1.3903	11	0	0	205	0	6	4
B-D	-12.8032	-17.1169	-218.911	-248.8311	87	9	20	10670	2	18	39
C-D	-5.1389	4.8388	-100.298	-100.5981	87	7	6	5936	0	26	36

Interface residues

• A-B: ARG113A, ARG113B, ARG72A, ARG72B, ASN114A, ASN114B, ASN124A, ASN124B, ASN150A, ASN150B, ASN82A, ASN82B, ASN85A, ASN85B, ASN87A, ASN87B, ASP107A, ASP107B, ASP108A, ASP108B, ASP128A, ASP128B, ASP69A, ASP69B, GLU110A, GLU110B, GLU131A, GLU131B, GLU58A, GLU58B, GLU77A, GLU77B, GLU84A, GLU84B, GLY119A, GLY119B, GLY126A, GLY126B, GLY57A, GLY57B, GLY70A, HIS59A, HIS59B, HIS78A, HIS78B, ILE112A, ILE112B, ILE116A, ILE116B, ILE73A, ILE73B, LEU115A, LEU115B, LEU122A, LEU122B, LEU123A, LEU123B, LEU61A, LEU61B, LEU76A, LEU76B, LYS117A, LYS117B, LYS129A, LYS129B, LYS55A, LYS55B, PHE120A, PHE120B, PRO75A, PRO75B, SER121A, SER121B, SER125A, SER125B, SER86A, SER86B, THR23A, THR23B, THR60A, THR60B, TRP56A, TRP56B, TYR127A, TYR127B, TYR83A, TYR83B, VAL118A, VAL118B, VAL54A, VAL54B, VAL66A, VAL66B, VAL71A, VAL71B, VAL74A, VAL74B
• A-C: ALA133A, ALA133C, ALA137A, ALA137C, ARG138A, ARG138C, ARG145A, ARG145C, ARG72A, ARG72C, ASN124A, ASN124C, ASN130A, ASN130C, ASN149A, ASN149C, ASP128A, ASP128C, ASP68A, ASP68C, ASP69A, ASP69C, GLN134A, GLN134C, GLU131A, GLU131C, GLU151A, GLU151C, GLU67A, GLU67C, GLU84A, GLU84C, GLY126A, GLY126C, GLY140A, GLY140C, GLY142A, GLY142C, GLY144A, GLY144C, GLY70A, GLY70C, HIS146A, HIS146C, ILE132A, ILE132C, ILE135A, ILE135C, ILE139A, ILE139C, ILE143A, ILE143C, ILE39A, ILE39C, LEU141A, LEU141C, LEU34A, LEU34C, LEU38A, LEU38C, LYS129A, LYS129C, LYS37A, LYS37C, LYS40A, LYS40C, LYS41A, LYS41C, SER125A, SER125C, SER36A, SER36C, TYR127A, TYR127C, TYR33A, TYR33C, TYR83A, TYR83C, VAL136A, VAL136C, VAL35A, VAL35C, VAL42A, VAL42C, VAL66A, VAL66C, VAL71C
• A-D: ASN124D, ASP128A, ASP128D, GLY126A, GLY126D, LYS129A, LYS129D, SER125A, SER125D, TYR127A, TYR127D
• B-C: ASN124C, ASP128B, ASP128C, GLY126B, GLY126C, LYS129B, LYS129C, SER125B, SER125C, TYR127B, TYR127C
• B-D: ALA133B, ALA133D, ALA137B, ALA137D, ARG138B, ARG138D, ARG145B, ARG145D, ARG72B, ARG72D, ASN124B, ASN130B, ASN130D, ASN149B, ASN149D, ASP128B, ASP128D, ASP68B, ASP68D, ASP69B, ASP69D, GLN134B, GLN134D, GLU131B, GLU131D, GLU147B, GLU151B, GLU151D, GLU67B, GLU67D, GLU84B, GLU84D, GLY126B, GLY126D, GLY140B, GLY140D, GLY142B, GLY142D, GLY144B, GLY144D, GLY70B, GLY70D, HIS146B, HIS146D, ILE132B, ILE132D, ILE135B, ILE135D, ILE139B, ILE139D, ILE143B, ILE143D, ILE39B, ILE39D, LEU141B, LEU141D, LEU34B, LEU34D, LEU38B, LEU38D, LYS129B, LYS129D, LYS37B, LYS37D, LYS40B, LYS40D, LYS41B, LYS41D, SER125B, SER125D, SER36B, SER36D, TYR127B, TYR127D, TYR33B, TYR33D, TYR83B, TYR83D, VAL136B, VAL136D, VAL35B, VAL35D, VAL42B, VAL42D, VAL66B, VAL66D, VAL71B
• C-D: ARG113C, ARG113D, ARG72C, ARG72D, ASN114C, ASN114D, ASN124C, ASN124D, ASN150C, ASN150D, ASN82C, ASN82D, ASN85C, ASN85D, ASP108C, ASP108D, ASP68C, ASP68D, ASP69C, ASP69D, GLU110C, GLU131D, GLU58C, GLU58D, GLU64C, GLU77C, GLU77D, GLU84C, GLU84D, GLY119C, GLY119D, GLY126C, GLY126D, GLY57C, GLY57D, GLY70C, GLY70D, HIS59C, HIS59D, HIS78C, HIS78D, ILE112C, ILE116C, ILE116D, ILE73C, ILE73D, LEU115C, LEU122C, LEU122D, LEU123C, LEU123D, LEU61C, LEU61D, LEU76D, LYS117C, LYS117D, LYS129C, LYS129D, LYS55C, LYS55D, PHE120C, PHE120D, PRO75C, PRO75D, SER109C, SER121C, SER121D, SER125C, SER125D, THR23C, THR23D, THR60C, THR60D, TRP56C, TRP56D, TYR127C, TYR127D, VAL118C, VAL118D, VAL54C, VAL54D, VAL66C, VAL66D, VAL71C, VAL71D, VAL74C, VAL74D