3KZ0

mcl-1 complex with mcl-1-specific selected peptide

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 80
  • Norm. En. per Res.: -5.0773
• 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	101.1459	706.467	807.6129	27	3	0	779	0	21	41
A-C	-30.5935	-62.9179	-312.672	-406.1834	80	22	10	11769	6	21	21
B-D	-30.01	-77.4719	-291.671	-399.1529	79	13	10	11121	6	22	21

Interface residues

• A-B: ARG187A, ARG187B, ASN239A, ASN239B, ASN282B, ASP241A, ASP241B, CYS286A, CYS286B, GLU240A, GLU240B, GLU284A, GLU284B, GLU288A, GLU288B, GLU292A, GLU292B, ILE287A, ILE287B, LEU179A, LEU179B, PRO289A, PRO289B, SER285A, SER285B, TYR175A, TYR175B
• A-C: ALA19C, ALA227A, ALA22C, ALA6C, ALA7C, ARG11C, ARG12C, ARG1C, ARG215A, ARG233A, ARG23C, ARG248A, ARG263A, ASN17C, ASN18C, ASN223A, ASN260A, ASP15C, ASP236A, ASP256A, GLN221A, GLN229A, GLN8C, GLU16C, GLU225A, GLU317A, GLU3C, GLU9C, GLY14C, GLY217A, GLY219A, GLY230A, GLY257A, GLY262A, GLY271A, HIS224A, HIS252A, HIS320A, ILE10C, ILE13C, ILE237A, ILE251A, ILE264A, ILE268A, ILE4C, LEU232A, LEU235A, LEU246A, LEU267A, LYS234A, LYS244A, MET231A, MET250A, PHE228A, PHE254A, PHE270A, PHE318A, PHE319A, PRO2C, SER245A, SER247A, SER255A, SER269A, THR212A, THR226A, THR259A, THR266A, TRP261A, TRP305A, TRP5C, TYR20C, TYR21C, VAL216A, VAL220A, VAL249A, VAL253A, VAL258A, VAL265A, VAL274A, VAL321A
• B-D: ALA19D, ALA227B, ALA22D, ALA6D, ALA7D, ARG11D, ARG12D, ARG1D, ARG215B, ARG233B, ARG23D, ARG248B, ARG263B, ASN17D, ASN18D, ASN223B, ASN260B, ASP15D, ASP236B, ASP256B, GLN221B, GLN8D, GLU16D, GLU225B, GLU317B, GLU3D, GLU9D, GLY14D, GLY217B, GLY219B, GLY230B, GLY257B, GLY262B, GLY271B, HIS224B, HIS252B, HIS320B, ILE10D, ILE13D, ILE237B, ILE251B, ILE264B, ILE268B, ILE4D, LEU232B, LEU235B, LEU246B, LEU267B, LYS234B, LYS244B, MET231B, MET250B, PHE228B, PHE254B, PHE270B, PHE318B, PHE319B, PRO2D, SER245B, SER247B, SER255B, SER269B, THR212B, THR226B, THR259B, THR266B, TRP261B, TRP305B, TRP5D, TYR20D, TYR21D, VAL216B, VAL220B, VAL249B, VAL253B, VAL258B, VAL265B, VAL274B, VAL321B