2RR9

the solution structure of the k63-ub2:tuims complex

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 10
  • Norm. En. per Res.: -3.5816
• 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	-27.4481	-30.2852	21.9171	-35.8161	10	13	0	590	2	3	2
A-C	-9.0837	-20.6013	-96.8103	-126.4952	46	2	5	4331	0	19	11
B-C	-18.2835	-19.7345	-96.341	-134.359	51	4	6	4730	0	20	8

Interface residues

• A-B: ARG74A, GLN40A, GLN62B, GLU64B, GLY75A, GLY76A, LEU73A, LYS63B, MET1B, PHE4B
• A-C: ALA113C, ALA115C, ALA46A, ARG111C, ARG122C, ARG42A, ARG72A, ARG74A, ASN119C, CYS121C, GLN102C, GLN49A, GLU103C, GLU105C, GLU106C, GLU107C, GLU116C, GLU98C, GLY47A, HIS68A, ILE114C, ILE44A, LEU109C, LEU110C, LEU118C, LEU43A, LEU50A, LEU67A, LEU69A, LEU71A, LEU73A, LEU8A, LYS112C, LYS48A, LYS6A, PHE45A, PHE4A, PRO123C, SER101C, SER117C, SER120C, SER124C, SER65A, THR12A, THR66A, VAL70A
• B-C: ALA46B, ALA86C, ALA88C, ALA96C, ARG42B, ARG72B, ARG74B, ARG97C, ASN100C, GLN49B, GLN62B, GLN84C, GLN94C, GLU103C, GLU64B, GLU81C, GLU82C, GLU83C, GLU93C, GLU95C, GLY10B, GLY47B, GLY75B, GLY76B, HIS68B, ILE44B, LEU43B, LEU50B, LEU67B, LEU69B, LEU71B, LEU73B, LEU87C, LEU89C, LEU8B, LYS48B, LYS6B, LYS90C, MET79C, MET91C, PHE45B, PHE4B, PHE85C, SER65B, SER92C, THR66B, THR7B, THR80C, THR9B, VAL70B, VAL99C