2VOF

structure of mouse a1 bound to the puma bh3-domain

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 80
  • Norm. En. per Res.: -5.0874
• 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	-40.3732	-40.6975	-328.204	-409.2746	82	17	13	12584	4	28	26
A-C	0.0	0.0	-0.2353	-0.2353	7	0	0	37	0	3	5
A-D	0.0	0.6746	-5.4935	-4.8189	19	0	0	550	0	8	11
B-C	-13.6631	6.8218	-57.9026	-64.7439	30	4	1	2067	2	11	10
B-D	-14.5759	-19.1153	-111.727	-145.4182	36	4	1	3880	2	14	17
C-D	-53.7075	-38.4278	-314.853	-406.9883	80	14	12	12265	4	25	23

Interface residues

• A-B: ALA134B, ALA139B, ALA145B, ALA150B, ALA41A, ALA94A, ARG135B, ARG142B, ARG143B, ARG39A, ARG68A, ARG88A, ASN149B, ASN51A, ASN72A, ASN85A, ASP146B, ASP147B, ASP58A, ASP81A, GLN140B, GLN151B, GLN45A, GLN73A, GLU131B, GLU132B, GLU136B, GLU149A, GLU153B, GLU47A, GLU49A, GLU76A, GLU78A, GLU80A, GLY138B, GLY82A, GLY87A, GLY96A, ILE137B, ILE144B, ILE145A, ILE69A, ILE70A, ILE83A, ILE84A, ILE89A, ILE92A, LEU141B, LEU148B, LEU37A, LEU52A, LEU56A, LEU99A, LYS146A, LYS147A, LYS46A, LYS50A, LYS53A, LYS77A, PHE144A, PHE148A, PHE59A, PHE71A, PHE79A, PHE95A, PRO150A, SER43A, SER54A, THR66A, THR91A, TRP133A, TRP133B, TRP86A, TYR152B, TYR55A, VAL36A, VAL40A, VAL44A, VAL48A, VAL74A, VAL90A, VAL98A
• A-C: ASN51A, ASN51C, GLU47A, GLU47C, LYS50C, SER43A, SER43C
• A-D: ALA150D, ARG143D, ARG88A, ASN149D, ASN51A, ASN85A, ASP146D, ASP147D, ASP81A, GLN140D, GLN151D, GLU153D, GLU78A, GLU80A, ILE83A, LEU52A, LYS77A, TYR152D, TYR55A
• B-C: ALA150B, ALA41C, ARG143B, ASN149B, ASN51C, ASP146B, ASP147B, GLN140B, GLN151B, GLN45C, GLU136B, GLU153B, GLU47C, GLU49C, ILE144B, LEU148B, LEU52C, LYS147C, LYS50C, LYS53C, PHE148C, SER43C, SER54C, THR91C, TYR152B, TYR55C, VAL40C, VAL44C, VAL48C, VAL90C
• B-D: ALA134B, ALA139B, ALA145B, ALA145D, ALA150B, ALA150D, ARG135B, ARG142B, ARG143B, ARG143D, ASN149B, ASN149D, ASP146B, ASP146D, ASP147B, ASP147D, GLN140B, GLN140D, GLN151B, GLN151D, GLU131B, GLU132B, GLU136B, GLU136D, GLU153B, GLU153D, GLY138B, ILE137B, ILE137D, ILE144B, ILE144D, LEU141B, LEU148B, LEU148D, TRP133B, TYR152D
• C-D: ALA134D, ALA139D, ALA145D, ALA150D, ALA41C, ALA94C, ARG135D, ARG142D, ARG143D, ARG39C, ARG88C, ASN149D, ASN51C, ASN72C, ASN85C, ASP146D, ASP147D, ASP57C, ASP58C, ASP81C, GLN140D, GLN151D, GLN45C, GLN73C, GLU132D, GLU136D, GLU149C, GLU153D, GLU47C, GLU49C, GLU76C, GLU78C, GLU80C, GLY138D, GLY82C, GLY87C, GLY96C, HIS60C, ILE137D, ILE144D, ILE69C, ILE70C, ILE83C, ILE84C, ILE89C, ILE92C, LEU141D, LEU148D, LEU37C, LEU52C, LEU56C, LEU99C, LYS102C, LYS146C, LYS147C, LYS53C, LYS77C, PHE144C, PHE148C, PHE59C, PHE71C, PHE79C, PHE95C, SER43C, SER54C, THR66C, THR91C, TRP133C, TRP133D, TRP86C, TYR152D, TYR55C, VAL36C, VAL40C, VAL44C, VAL48C, VAL61C, VAL74C, VAL90C, VAL98C