3PRP

structural analysis of a viral otu domain protease from the crimean- congo hemorrhagic fever virus in complex with human ubiquitin

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 97
  • Norm. En. per Res.: -4.2305
• 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	-55.944	-99.5518	-254.865	-410.3608	97	16	8	10607	5	29	21
A-C	-14.339	-4.1476	-45.5331	-64.0197	49	2	3	2339	0	16	17
A-D	-3.8306	-5.533	-73.4991	-82.8627	45	3	0	3058	1	22	22
B-C	-21.1912	1.0839	-73.4593	-93.5666	44	5	0	2874	1	20	22
B-D	0.0	0.0	-0.4175	-0.4175	6	0	0	73	0	2	2
C-D	-30.9329	-68.3111	-259.98	-359.224	98	9	8	11099	3	26	21

Interface residues

• A-B: ALA105A, ALA122A, ALA129A, ALA14A, ALA46B, ALA79A, ARG22A, ARG42B, ARG54B, ARG72B, ARG74B, ARG80A, ARG92A, ASN20A, ASN39A, ASN97A, ASP39B, ASP52B, ASP8A, CYS40A, GLN11A, GLN149A, GLN16A, GLN40B, GLN41B, GLN49B, GLU104A, GLU128A, GLU51B, GLU76A, GLU78A, GLU98A, GLY100A, GLY10B, GLY130A, GLY148A, GLY36A, GLY38A, GLY47B, GLY75B, HIS146A, HIS151A, HIS68B, ILE118A, ILE131A, ILE13A, ILE36B, ILE44B, LEU103A, LEU145A, LEU43B, LEU50B, LEU69B, LEU71B, LEU73B, LEU81A, LEU84A, LEU8B, LYS11B, LYS132A, LYS27B, LYS48B, LYS6B, MET107A, MET93A, PHE133A, PHE152A, PHE41A, PHE45B, PRO21A, PRO37B, PRO38B, PRO77A, SER101A, SER106A, SER147A, SER19A, THR102A, THR10A, THR120A, THR150A, THR7B, THR9B, TRP119A, TRP99A, TRP9A, TYR17A, TYR42A, TYR59B, TYR73A, TYR89A, VAL121A, VAL127A, VAL12A, VAL18A, VAL70B, VAL82A
• A-C: ALA122A, ALA122C, ALA123A, ALA123C, ARG80C, ARG92A, ARG92C, ASN97A, ASN97C, ASP37A, ASP37C, ASP88A, ASP88C, ASP96A, ASP96C, GLN149A, GLN149C, GLU128A, GLU128C, GLU98A, GLU98C, GLY148A, GLY148C, GLY38A, GLY38C, GLY83A, GLY83C, HIS146A, HIS146C, HIS151A, LEU81A, LEU81C, LEU84A, LEU84C, LYS62C, LYS91A, LYS91C, SER124A, SER124C, SER147A, SER147C, SER95A, SER95C, THR150A, THR150C, TRP99A, TRP99C, VAL82A, VAL82C
• A-D: ALA122A, ALA123A, ALA28D, ARG33A, ARG72D, ARG74D, ARG92A, ASN39A, ASN97A, ASP125A, ASP153A, ASP32D, ASP37A, ASP39D, ASP52D, CYS40A, GLN149A, GLN31D, GLN34A, GLN40D, GLU24D, GLU34D, GLU98A, GLY148A, GLY35D, GLY36A, GLY38A, GLY75D, HIS146A, HIS151A, ILE30D, ILE31A, ILE36D, LEU145A, LEU73D, LYS29D, LYS33D, PHE152A, PRO35A, PRO37D, PRO38D, SER147A, THR150A, TRP99A, VAL121A
• B-C: ALA123C, ALA28B, ARG33C, ARG72B, ARG74B, ASN39C, ASN97C, ASP125C, ASP153C, ASP32B, ASP37C, ASP39B, ASP52B, ASP55C, CYS40C, GLN149C, GLN31B, GLN34C, GLN40B, GLU24B, GLU34B, GLU98C, GLY148C, GLY35B, GLY36C, GLY38C, GLY75B, HIS146C, HIS151C, ILE30B, ILE31C, ILE36B, LEU145C, LEU73B, LYS29B, LYS33B, PHE152C, PRO35C, PRO37B, PRO38B, SER147C, THR150C, TRP99C, VAL121C
• B-D: ARG74B, ARG74D, ASP39B, ASP39D, GLY75B, GLY75D
• C-D: ALA105C, ALA122C, ALA129C, ALA14C, ALA46D, ALA79C, ARG22C, ARG42D, ARG72D, ARG74D, ARG80C, ARG92C, ASN20C, ASN39C, ASN97C, ASP39D, ASP52D, ASP8C, CYS40C, GLN11C, GLN149C, GLN16C, GLN40D, GLN41D, GLN49D, GLU104C, GLU128C, GLU51D, GLU76C, GLU78C, GLU98C, GLY100C, GLY10D, GLY130C, GLY148C, GLY36C, GLY38C, GLY47D, GLY75D, HIS146C, HIS151C, HIS68D, ILE118C, ILE131C, ILE13C, ILE23D, ILE36D, ILE44D, LEU103C, LEU145C, LEU43D, LEU50D, LEU67D, LEU69D, LEU71D, LEU73D, LEU81C, LEU84C, LEU8D, LYS11D, LYS132C, LYS27D, LYS48D, LYS6D, MET107C, MET93C, PHE133C, PHE152C, PHE41C, PHE45D, PRO21C, PRO37D, PRO38D, PRO77C, SER101C, SER106C, SER147C, SER19C, THR102C, THR10C, THR120C, THR150C, THR7D, THR9D, TRP119C, TRP99C, TRP9C, TYR17C, TYR42C, TYR59D, TYR73C, TYR89C, VAL121C, VAL127C, VAL12C, VAL18C, VAL70D, VAL82C