2QPD

an unexpected outcome of surface-engineering an integral membrane protein: improved crystallization of cytochrome ba3 oxidase from thermus thermophilus

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 243
  • Norm. En. per Res.: -3.6336
• 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	-86.4962	-100.481	-695.977	-882.9542	243	52	21	32181	13	43	44
A-C	-16.1408	-14.2663	-227.708	-258.115	98	15	25	10710	0	7	7
B-C	-15.9277	-7.7602	-186.328	-210.0159	74	20	1	7147	1	11	14

Interface residues

• A-B: ALA10B, ALA129A, ALA13B, ALA20B, ALA224A, ALA268A, ALA286A, ALA306A, ALA313A, ALA317A, ALA318A, ALA31B, ALA34B, ALA361A, ALA367A, ALA379A, ALA38B, ALA42B, ALA451A, ALA454A, ALA459A, ALA47B, ALA7B, ALA87B, ARG146B, ARG225A, ARG258A, ARG325A, ARG449A, ARG450A, ARG52B, ARG560A, ARG59B, ASN122B, ASN124B, ASN127A, ASN150B, ASN159B, ASN377A, ASN446A, ASN45A, ASN554A, ASP111B, ASP220A, ASP262A, ASP287A, ASP291A, ASP372A, ASP3B, ASP458A, ASP517A, ASP54B, CYS149B, CYS153B, GLN151B, GLN158B, GLN284A, GLN455A, GLN548A, GLN63A, GLN67A, GLU119B, GLU126B, GLU131B, GLU15B, GLU321A, GLU4B, GLU510A, GLU516A, GLU51B, GLY115B, GLY120B, GLY130B, GLY154B, GLY156B, GLY17B, GLY289A, GLY43B, GLY443A, GLY48B, GLY514A, GLY551A, GLY558A, HIS114B, HIS117B, HIS157B, HIS283A, HIS376A, HIS462A, HIS552A, HIS5B, HIS8B, ILE107B, ILE113B, ILE11B, ILE123B, ILE148B, ILE290A, ILE297A, ILE30B, ILE33B, ILE364A, ILE453A, ILE45B, ILE512A, LEU128B, LEU12B, LEU132A, LEU139A, LEU155B, LEU19B, LEU222A, LEU23B, LEU259A, LEU267A, LEU26B, LEU271A, LEU301A, LEU303A, LEU310A, LEU326A, LEU32B, LEU371A, LEU37B, LEU444A, LEU445A, LEU50B, LEU520A, LEU549A, LEU553A, LEU561A, LEU69A, LYS140A, LYS16B, LYS295A, LYS49B, LYS6B, LYS9B, MET160B, MET25B, MET264A, MET296A, MET311A, PHE116B, PHE135A, PHE161B, PHE21B, PHE27B, PHE285A, PHE29B, PHE304A, PHE314A, PHE322A, PHE369A, PHE550A, PHE86B, PHE88B, PRO110B, PRO129B, PRO137A, PRO138A, PRO221A, PRO263A, PRO288A, PRO292A, PRO308A, PRO448A, PRO457A, PRO461A, PRO46B, PRO515A, PRO555A, PRO557A, PRO55B, SER109B, SER133B, SER22B, SER261A, SER299A, SER309A, SER319A, SER368A, SER513A, SER64A, THR108B, THR121B, THR130A, THR134A, THR134B, THR226A, THR293A, THR302A, THR312A, THR315A, THR36B, THR370A, THR378A, THR39B, THR41B, THR545A, THR56B, THR70A, TRP18B, TRP211A, TRP229A, TRP294A, TRP559A, TRP562A, TYR136A, TYR14B, TYR152B, TYR248A, TYR35B, TYR373A, TYR452A, TYR460A, TYR46A, TYR65A, TYR66A, VAL112B, VAL118B, VAL125B, VAL127B, VAL131A, VAL132B, VAL135B, VAL219A, VAL223A, VAL260A, VAL300A, VAL305A, VAL307A, VAL316A, VAL365A, VAL374A, VAL375A, VAL447A, VAL44B, VAL456A, VAL511A, VAL521A, VAL53B, VAL556A
• A-C: ALA10C, ALA28C, ALA306A, ALA313A, ALA317A, ALA318A, ALA32C, ALA361A, ALA367A, ALA436A, ALA442A, ALA8C, ARG325A, ARG330A, ARG33C, ASN366A, ASN446A, ASP372A, GLU2C, GLU321A, GLU3C, GLY25C, GLY329A, GLY331A, GLY334A, GLY34C, GLY355A, GLY359A, GLY360A, GLY362A, GLY363A, GLY443A, GLY7C, HIS376A, HIS384A, HIS440A, ILE12C, ILE19C, ILE336A, ILE357A, ILE364A, LEU13C, LEU15C, LEU17C, LEU20C, LEU24C, LEU303A, LEU310A, LEU320A, LEU326A, LEU332A, LEU353A, LEU354A, LEU371A, LEU387A, LEU444A, LEU445A, LEU9C, LYS4C, LYS6C, MET296A, MET311A, PHE22C, PHE30C, PHE314A, PHE31C, PHE322A, PHE333A, PHE356A, PHE369A, PRO358A, PRO5C, SER309A, SER319A, SER368A, THR16C, THR18C, THR312A, THR315A, THR370A, THR378A, TRP23C, TRP335A, TRP380A, TYR27C, TYR373A, VAL11C, VAL14C, VAL21C, VAL260A, VAL26C, VAL29C, VAL316A, VAL365A, VAL374A, VAL375A, VAL437A, VAL447A
• B-C: ALA10B, ALA31B, ALA32C, ALA34B, ALA42B, ALA7B, ALA8C, ARG141B, ARG33C, ASN122B, ASN124B, ASP3B, GLU119B, GLU15B, GLU2C, GLU3C, GLU4B, GLY120B, GLY17B, GLY34C, GLY43B, HIS117B, HIS40B, ILE11B, ILE123B, ILE12C, ILE19C, ILE30B, ILE33B, ILE45B, LEU13C, LEU15C, LEU17C, LEU20C, LEU24C, LEU26B, LEU32B, LEU37B, LEU9C, LYS140B, LYS4C, LYS6B, LYS6C, MET25B, PHE139B, PHE21B, PHE22C, PHE29B, PHE30C, PHE31C, PRO5C, SER22B, THR121B, THR138B, THR16C, THR18C, THR36B, THR39B, THR41B, TRP18B, TRP23C, TYR137B, TYR145B, TYR14B, TYR27C, TYR35B, VAL118B, VAL11C, VAL14C, VAL21C, VAL26C, VAL28B, VAL29C, VAL44B