2QRA

crystal structure of xiap bir1 domain (p21 form)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-A
  • Int. Res.: 56
  • Norm. En. per Res.: -3.4016
• Hub Node: D(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
D-C	0.0	0.0	-10.5964	-10.5964	14	0	0	414	0	1	1
D-B	-17.1515	-46.8283	-119.59	-183.5698	57	9	3	4628	13	24	28
D-A	-15.9053	0.0	-73.8319	-89.7372	35	1	0	2809	0	3	5
C-A	-36.5629	-39.4257	-114.5	-190.4886	56	9	3	4378	13	26	26
B-A	-2.8828	0.0	-23.5806	-26.4634	19	0	0	960	0	1	3

Interface residues

• D-C: ARG2072C, ARG2082C, ASP2077C, ASP3077D, GLN2074C, GLN3074D, GLY3076D, LYS2085C, PRO2041C, PRO3041D, TRP2073C, TYR2075C, TYR3075D, VAL3042D
• D-B: ALA1068B, ALA1069B, ALA3068D, ALA3069D, ARG1062B, ARG1072B, ARG1082B, ARG1084B, ARG3062D, ARG3072D, ARG3082D, ARG3084D, ASN1089B, ASN3089D, ASP1059B, ASP1071B, ASP1077B, ASP3059D, ASP3071D, ASP3077D, GLN1074B, GLN3074D, GLU1057B, GLU3057D, GLY1058B, GLY1076B, GLY3058D, GLY3076D, HIS1067B, HIS3067D, HIS3083D, LYS1085B, LYS3085D, PRO1041B, PRO1088B, PRO3041D, PRO3088D, SER1078B, SER1087B, SER3078D, SER3087D, THR1055B, THR1060B, THR3055D, THR3060D, TRP1073B, TRP3073D, TYR1075B, TYR3075D, VAL1042B, VAL1061B, VAL1070B, VAL1086B, VAL3042D, VAL3061D, VAL3070D, VAL3086D
• D-A: ARG3072D, ARG3082D, ARG72A, ARG82A, ASN35A, ASP3059D, ASP3071D, ASP3077D, ASP59A, ASP71A, ASP77A, GLN3074D, GLN74A, GLU57A, GLY3039D, GLY3058D, GLY3076D, GLY39A, GLY58A, GLY76A, PHE36A, PRO3037D, PRO3041D, PRO37A, PRO41A, SER3038D, SER3040D, SER38A, SER40A, THR60A, TRP3073D, TRP73A, TYR3075D, TYR54A, TYR75A
• C-A: ALA2068C, ALA2069C, ALA68A, ALA69A, ARG2062C, ARG2072C, ARG2082C, ARG2084C, ARG62A, ARG72A, ARG82A, ARG84A, ASN2089C, ASN89A, ASP2059C, ASP2071C, ASP2077C, ASP59A, ASP71A, ASP77A, GLN2074C, GLN74A, GLU2057C, GLU57A, GLY2076C, GLY58A, GLY76A, HIS2067C, HIS2083C, HIS67A, LYS2085C, LYS85A, PRO2041C, PRO2088C, PRO41A, PRO88A, SER2078C, SER2087C, SER78A, SER87A, THR2055C, THR2060C, THR55A, THR60A, TRP2073C, TRP73A, TYR2075C, TYR75A, VAL2042C, VAL2061C, VAL2070C, VAL2086C, VAL42A, VAL61A, VAL70A, VAL86A
• B-A: ARG1072B, ARG1082B, ASP1059B, ASP1071B, ASP1077B, ASP77A, GLN1074B, GLN74A, GLY76A, PRO1041B, PRO41A, SER1040B, SER40A, SER43A, THR46A, TRP1073B, TYR1075B, TYR75A, VAL42A