3Q5Y

v beta/v beta homodimerization-based pre-tcr model suggested by tcr beta crystal structures

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 136
  • Norm. En. per Res.: -2.3466
• 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	-57.0133	2.032	-264.162	-319.1433	136	4	3	11074	0	45	39
A-C	0.0	-3.1825	-5.538	-8.7205	16	0	0	599	0	5	7
B-C	-98.5789	40.8227	-198.796	-256.5522	115	31	4	10256	11	42	33
B-D	0.0	2.4869	-0.4172	2.0697	5	0	0	65	0	4	2
C-D	-56.5465	3.4201	-270.242	-323.3685	138	6	3	11299	0	44	40

Interface residues

• A-B: ALA178A, ALA178B, ALA88A, ALA88B, ALA93A, ALA93B, ARG113A, ARG113B, ARG195A, ARG195B, ARG97A, ARG97B, ARG9A, ARG9B, ASN186A, ASN186B, ASN31A, ASN31B, ASP100A, ASP100B, ASP155A, ASP155B, ASP175A, ASP175B, ASP56A, ASP56B, ASP86B, CYS92A, CYS92B, GLN106A, GLN106B, GLN177A, GLN177B, GLN36B, GLN37A, GLN37B, GLN48A, GLN48B, GLU105A, GLU105B, GLU117A, GLU117B, GLU158A, GLU158B, GLU181A, GLU181B, GLU42A, GLU42B, GLU83B, GLU85A, GLU85B, GLY109A, GLY109B, GLY111A, GLY111B, GLY40A, GLY40B, GLY99A, GLY99B, HIS10A, HIS10B, HIS156A, HIS156B, HIS217A, HIS217B, LEU114B, LEU116A, LEU159A, LEU159B, LEU192A, LEU192B, LEU39A, LEU39B, LEU43A, LEU43B, LEU84A, LEU84B, LEU96A, LEU96B, LYS180A, LYS180B, LYS41A, LYS41B, LYS44A, LYS44B, MET89A, MET89B, PHE108A, PHE108B, PHE153A, PHE153B, PHE45A, PHE45B, PHE91A, PHE91B, PRO110A, PRO110B, PRO176A, PRO176B, SER173A, SER173B, SER182A, SER182B, SER189A, SER191A, SER191B, SER193B, SER87A, SER87B, SER94B, SER95A, SER95B, THR115B, THR174A, THR174B, THR38A, THR38B, TRP98A, TRP98B, TYR107A, TYR107B, TYR179A, TYR179B, TYR187A, TYR190A, TYR190B, TYR35A, TYR35B, VAL116A, VAL116B, VAL157A, VAL157B, VAL172A, VAL172B, VAL33A, VAL33B
• A-C: ALA135C, ALA138C, ARG244C, ASN139C, GLU42A, GLY40A, GLY58A, LEU43A, LYS134C, LYS41A, LYS44A, PHE45A, PHE59A, SER247C, THR38A, TYR35A
• B-C: ALA135C, ALA138C, ALA239C, ALA241C, ALA245C, ARG150C, ARG18B, ARG195C, ARG207C, ARG211B, ARG211C, ARG244C, ARG9B, ASN139C, ASN205C, ASN208C, ASN236B, ASP1B, ASP246C, ASP71B, ASP72B, CYS147C, CYS23B, CYS92B, GLN213B, GLN213C, GLN215B, GLN235B, GLN68B, GLN6B, GLU131C, GLU136C, GLU158B, GLU167B, GLU181C, GLU221B, GLU222B, GLU240B, GLU240C, GLU76B, GLY109B, GLY111B, GLY151C, GLY165B, GLY243C, GLY3B, HIS10B, HIS169B, HIS204C, HIS209B, HIS209C, HIS217B, HIS74B, ILE137C, ILE237B, ILE237C, ILE24B, ILE26B, LEU129C, LEU145C, LEU148C, LEU159B, LEU21B, LYS126C, LYS134C, LYS140C, LYS142C, LYS166B, LYS180C, LYS52B, PHE108B, PHE130C, PHE216B, PHE70B, PRO110B, PRO132C, PRO206C, PRO25B, PRO8B, SER128C, SER133C, SER160B, SER182C, SER189C, SER191C, SER193C, SER194C, SER220B, SER238B, SER238C, SER247C, SER27B, SER2B, SER75B, SER7B, THR144C, THR201C, THR22B, THR234B, TRP161B, TRP162B, TRP203C, TRP242C, TRP34B, TYR107B, TYR179C, TYR73B, VAL127C, VAL146C, VAL168B, VAL20B, VAL214B, VAL233B, VAL4B, VAL5B
• B-D: ASN186D, ASP71B, ASP72B, GLU181D, SER182D
• C-D: ALA178C, ALA178D, ALA88C, ALA88D, ALA93C, ALA93D, ARG113C, ARG113D, ARG195C, ARG195D, ARG97C, ARG97D, ARG9C, ARG9D, ASN186C, ASN186D, ASN31C, ASN31D, ASP100C, ASP100D, ASP155C, ASP155D, ASP175C, ASP175D, ASP56C, ASP56D, ASP86C, CYS92C, CYS92D, GLN106C, GLN106D, GLN177C, GLN177D, GLN36C, GLN37C, GLN37D, GLN48C, GLN48D, GLN6D, GLU105C, GLU105D, GLU117C, GLU117D, GLU158C, GLU158D, GLU181C, GLU181D, GLU42C, GLU42D, GLU83C, GLU85C, GLU85D, GLY109C, GLY109D, GLY111C, GLY111D, GLY40C, GLY40D, GLY99C, GLY99D, HIS10C, HIS10D, HIS156C, HIS156D, HIS217C, HIS217D, LEU114C, LEU116D, LEU159C, LEU159D, LEU192C, LEU192D, LEU39C, LEU39D, LEU43C, LEU43D, LEU84C, LEU84D, LEU96C, LEU96D, LYS180C, LYS180D, LYS41C, LYS41D, LYS44C, LYS44D, MET89C, MET89D, PHE108C, PHE108D, PHE152D, PHE153C, PHE153D, PHE45C, PHE45D, PHE91C, PHE91D, PRO110C, PRO110D, PRO176C, PRO176D, SER173C, SER173D, SER182C, SER182D, SER189D, SER191C, SER191D, SER193C, SER87C, SER87D, SER94C, SER95C, SER95D, THR112D, THR115C, THR174C, THR174D, THR38C, THR38D, TRP98C, TRP98D, TYR107C, TYR107D, TYR179C, TYR179D, TYR187D, TYR190C, TYR190D, TYR35C, TYR35D, VAL116C, VAL116D, VAL157C, VAL157D, VAL172D, VAL33C, VAL33D