1VBT

structure of cyclophilin complexed with sulfur-substituted tetrapeptide aapf

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 34
  • Norm. En. per Res.: -2.8346
• 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	-9.8084	-46.078	-40.491	-96.3774	34	5	0	1861	4	10	7
A-C	-5.7019	0.0	-62.7002	-68.4021	30	1	0	2179	0	0	0
A-D	0.0	0.0	-4.2997	-4.2997	7	0	0	338	0	0	0
B-C	0.0	0.0	-5.4895	-5.4895	6	0	0	349	0	0	0
B-D	0.0	0.0	-57.4371	-57.4371	30	0	0	2133	0	0	0
C-D	0.0	0.0	-9.2695	-9.2695	4	0	1	267	0	0	0

Interface residues

• A-B: ALA117A, ALA117B, ARG148A, ARG148B, ARG55A, ARG55B, ASN149A, ASN149B, GLU120A, GLU120B, GLY150A, GLY150B, GLY94A, GLY94B, HIS92A, HIS92B, ILE57A, ILE57B, LYS118A, LYS118B, LYS125A, LYS125B, PHE60A, PHE60B, PRO95A, PRO95B, SER147A, SER147B, THR119A, THR119B, THR93A, THR93B, TRP121A, TRP121B
• A-C: ALA101A, ALA103A, ALA1C, ARG55A, ASN102A, ASN71A, CYS115A, CYS62A, GLN111A, GLN63A, GLY104A, GLY72A, HIS126A, HIS54A, HIS92A, ILE114A, ILE57A, LEU122A, LYS125A, MET100A, MET61A, PHE112A, PHE113A, PHE4C, PHE60A, PRO3C, SER99A, THR119A, THR73A, TRP121A
• A-D: ALA1D, LEU122A, LYS125A, PHE4D, PHE60A, PRO3D, TRP121A
• B-C: ALA1C, LEU122B, LYS125B, PHE4C, PRO3C, TRP121B
• B-D: ALA101B, ALA103B, ALA1D, ARG55B, ASN102B, ASN71B, CYS115B, CYS62B, GLN111B, GLN63B, GLY104B, GLY72B, HIS126B, HIS54B, HIS92B, ILE114B, ILE57B, LEU122B, LYS125B, MET100B, MET61B, PHE112B, PHE113B, PHE4D, PHE60B, PRO3D, SER99B, THR119B, THR73B, TRP121B
• C-D: PHE4C, PHE4D, PRO3C, PRO3D