3NKF

crystal structure of human ligand-free mature caspase-6 with intersubunit linker attached

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 127
  • Norm. En. per Res.: -3.1739
• 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	-34.211	-3.9394	-275.32	-313.4704	122	19	7	12358	1	45	43
A-C	0.0	0.4539	-19.7385	-19.2846	27	0	1	1227	1	25	23
A-D	0.0	2.1833	-80.4035	-78.2202	40	4	1	3314	0	13	13
B-C	0.0	1.1524	-75.4692	-74.3168	37	4	1	2985	0	14	14
B-D	0.0	10.4614	-13.7135	-3.2521	17	0	1	961	1	18	12
C-D	-45.5108	-35.8375	-321.736	-403.0842	127	25	7	14245	3	44	36

Interface residues

• A-B: ALA202A, ALA202B, ALA204A, ALA204B, ALA213A, ALA213B, ALA279A, ALA279B, ALA34A, ALA34B, ARG254A, ARG254B, ASN253A, ASN253B, ASP146B, ASP205A, ASP205B, ASP32A, ASP32B, CYS277A, CYS277B, GLN258A, GLN258B, GLN274A, GLN274B, GLU214A, GLU214B, GLU234A, GLU234B, GLU244A, GLU244B, GLU247A, GLU247B, GLU35A, GLU35B, GLY145B, GLY153B, GLY203A, GLY203B, GLY215A, GLY215B, HIS149B, HIS287A, LEU200A, LEU207A, LEU207B, LEU243A, LEU243B, LEU248A, LEU248B, LEU249A, LEU249B, LEU251A, LEU251B, LEU282A, LEU282B, LEU286A, LEU286B, LYS144B, LYS238A, LYS238B, LYS255A, LYS255B, LYS272A, LYS273A, LYS273B, LYS284A, LYS284B, LYS285A, LYS285B, LYS36A, LYS36B, MET208A, MET208B, MET235A, MET235B, MET281A, MET281B, PHE206A, PHE206B, PHE245A, PHE278A, PHE278B, PHE31A, PHE31B, PRO201A, PRO276A, PRO276B, PRO33A, PRO33B, SER242A, SER242B, SER257A, SER257B, SER280A, SER280B, THR199A, THR246A, THR246B, THR250A, THR250B, THR283A, THR283B, TYR198A, TYR210A, TYR210B, TYR216A, TYR216B, TYR239A, TYR239B, TYR37A, TYR37B, VAL152A, VAL152B, VAL212A, VAL212B, VAL252A, VAL252B, VAL256A, VAL256B, VAL275A, VAL275B
• A-C: ALA34A, ALA34C, ASP32A, ASP32C, ASP40A, ASP40C, GLU35A, GLU35C, HIS287A, HIS287C, HIS294C, HIS41C, LYS285A, LYS285C, LYS36A, LYS36C, MET39A, MET39C, PHE289A, PHE289C, PHE31A, PHE31C, PRO290A, PRO290C, PRO33A, PRO33C, SER292C
• A-D: ARG44A, ARG44D, ARG77A, ASP40A, ASP40D, GLU234D, GLU244D, GLU247D, GLY237A, GLY237D, GLY240A, GLY240D, HIS287A, HIS287D, LEU236A, LEU236D, LEU243A, LEU243D, LEU251A, LYS238A, LYS238D, LYS291A, LYS291D, LYS36D, MET235D, MET39A, MET39D, PHE288A, PHE288D, PHE289A, PHE289D, PRO290A, PRO290D, SER241A, SER241D, SER242A, SER242D, SER292A, TYR239A, TYR239D
• B-C: ARG44C, ARG77C, ASN293C, ASP40C, GLU234B, GLU244B, GLY237B, GLY237C, GLY240B, GLY240C, HIS287B, HIS287C, HIS294C, LEU236B, LEU236C, LEU243B, LEU243C, LYS238B, LYS238C, LYS291C, LYS36B, LYS36C, MET235B, MET39C, PHE288B, PHE288C, PHE289B, PHE289C, PRO290B, PRO290C, SER241B, SER241C, SER242B, SER242C, SER292C, TYR239B, TYR239C
• B-D: ALA34B, ALA34D, ASP32B, ASP32D, GLU35B, GLU35D, HIS287B, HIS287D, LYS285B, LYS285D, LYS36B, LYS36D, PHE289B, PHE289D, PHE31B, PRO33B, PRO33D
• C-D: ALA202C, ALA202D, ALA204C, ALA204D, ALA213C, ALA213D, ALA279C, ALA279D, ALA34C, ALA34D, ARG254C, ARG254D, ASN253C, ASN253D, ASP146C, ASP146D, ASP205C, ASP205D, ASP32C, ASP32D, CYS277C, CYS277D, GLN258C, GLN258D, GLN274C, GLN274D, GLU214C, GLU214D, GLU234C, GLU234D, GLU244C, GLU244D, GLU247C, GLU247D, GLU35C, GLU35D, GLY145C, GLY145D, GLY153D, GLY203C, GLY203D, GLY215C, GLY215D, HIS287C, HIS287D, LEU200C, LEU200D, LEU207C, LEU207D, LEU243C, LEU243D, LEU248C, LEU248D, LEU249C, LEU249D, LEU251C, LEU251D, LEU282C, LEU282D, LEU286C, LEU286D, LYS144C, LYS144D, LYS238C, LYS238D, LYS255C, LYS255D, LYS273C, LYS273D, LYS284C, LYS284D, LYS285C, LYS285D, LYS36C, LYS36D, MET208C, MET208D, MET235C, MET235D, MET281C, MET281D, PHE206C, PHE206D, PHE278C, PHE278D, PHE31C, PHE31D, PRO201C, PRO201D, PRO276C, PRO276D, PRO33C, PRO33D, SER242C, SER242D, SER257C, SER257D, SER280C, SER280D, THR199C, THR199D, THR246C, THR246D, THR250C, THR250D, THR283C, THR283D, TYR198C, TYR198D, TYR210C, TYR210D, TYR216C, TYR216D, TYR239C, TYR239D, TYR37C, TYR37D, VAL152D, VAL197C, VAL212C, VAL212D, VAL252C, VAL252D, VAL256C, VAL256D, VAL275C, VAL275D