3OF6

human pre-t cell receptor crystal structure

• Total interactions analyzed: 15
• Total true interactions: 7
• Strongest Interaction:
  • Chains: C-F
  • Int. Res.: 100
  • Norm. En. per Res.: -2.2521
• Hub Node: B(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-D	0.0	-8.1481	-189.41	-197.5581	101	7	11	9215	0	16	8
B-C	0.0	0.0	-29.9479	-29.9479	25	6	2	1326	0	0	2
B-E	0.0	-20.5193	-195.053	-215.5723	102	7	12	9601	0	16	9
B-F	-29.4336	7.4869	-148.569	-170.5157	88	13	1	5378	0	7	6
C-E	-21.9066	4.8061	-141.395	-158.4956	79	11	1	5331	2	5	6
C-F	-2.8455	-25.0851	-197.284	-225.2146	100	6	10	9660	1	16	8
E-F	0.0	0.0	-18.1177	-18.1177	23	0	0	884	0	0	0

Interface residues

• A-D: ALA129A, ALA136A, ALA144A, ALA14D, ALA150A, ALA240A, ALA242A, ALA65D, ALA74D, ARG190A, ARG196A, ARG198A, ARG245A, ASN72D, ASP176A, ASP35D, ASP67D, CYS148A, CYS192A, CYS31D, GLN105D, GLN178A, GLN183A, GLU127A, GLU132A, GLU135A, GLU137A, GLU182A, GLU241A, GLY152A, GLY172A, GLY61D, GLY68D, HIS140A, HIS170A, HIS75D, ILE138A, ILE17D, LEU13D, LEU146A, LEU149A, LEU180A, LEU193A, LEU197A, LEU19D, LEU20D, LEU32D, LEU34D, LEU73D, LEU76D, LYS143A, LYS181A, MET107D, MET18D, MET27D, PHE10D, PHE131A, PHE153A, PHE58D, PRO11D, PRO133A, PRO15D, PRO16D, PRO177A, PRO179A, PRO184A, PRO62D, PRO64D, SER12D, SER134A, SER139A, SER171A, SER174A, SER189A, SER194A, SER195A, SER63D, SER77D, THR104D, THR141A, THR145A, THR151A, THR175A, THR59D, THR66D, THR69D, THR71D, THR8D, TRP204A, TRP70D, TYR191A, TYR60D, VAL128A, VAL130A, VAL147A, VAL173A, VAL21D, VAL28D, VAL29D, VAL30D, VAL33D
• B-C: ALA185B, ALA185C, ALA38B, ALA38C, CYS192B, GLN183B, GLN183C, GLN41B, GLN41C, GLU182B, GLU182C, GLU85B, GLU85C, GLY40B, GLY40C, LEU180B, LEU180C, LEU186B, LEU186C, LEU39B, LEU39C, LYS181B, LYS181C, PRO184B, PRO184C
• B-E: ALA129B, ALA136B, ALA144B, ALA14E, ALA150B, ALA240B, ALA242B, ALA65E, ALA74E, ARG190B, ARG196B, ARG198B, ARG245B, ASN72E, ASP176B, ASP35E, ASP67E, CYS148B, CYS192B, CYS31E, GLN105E, GLN178B, GLN183B, GLU127B, GLU132B, GLU135B, GLU137B, GLU182B, GLU241B, GLY152B, GLY172B, GLY61E, GLY68E, HIS140B, HIS170B, HIS75E, ILE138B, ILE17E, LEU13E, LEU146B, LEU149B, LEU180B, LEU193B, LEU197B, LEU19E, LEU20E, LEU32E, LEU34E, LEU73E, LEU76E, LYS143B, LYS181B, MET107E, MET18E, MET27E, PHE10E, PHE131B, PHE153B, PHE58E, PRO11E, PRO133B, PRO15E, PRO16E, PRO177B, PRO179B, PRO184B, PRO62E, PRO64E, PRO9E, SER12E, SER134B, SER139B, SER171B, SER174B, SER189B, SER194B, SER195B, SER63E, SER77E, THR104E, THR141B, THR145B, THR151B, THR175B, THR59E, THR66E, THR69E, THR71E, THR8E, TRP204B, TRP70E, TYR191B, TYR60E, VAL128B, VAL130B, VAL147B, VAL173B, VAL21E, VAL28E, VAL29E, VAL30E, VAL33E
• B-F: ALA49F, ALA54F, ALA57F, ALA74F, ALA93B, ALA97F, ALA99B, ARG102F, ASN51F, ASN72F, ASP176B, ASP42F, ASP56B, ASP56F, CYS91F, GLN105F, GLN106B, GLN178B, GLN37B, GLN41B, GLN98B, GLU105B, GLU44B, GLU98F, GLY109B, GLY3B, GLY40B, GLY40F, GLY42B, GLY50F, GLY52F, GLY59B, GLY61F, GLY94F, GLY96F, GLY97B, GLY99F, HIS100F, HIS29B, HIS75F, HIS92F, ILE26B, ILE45F, LEU39B, LEU41F, LEU46B, LEU55B, LEU55F, LEU91B, PHE108B, PHE33B, PHE45B, PHE47F, PHE58F, PRO106F, PRO110B, PRO11F, PRO177B, PRO38F, PRO39F, PRO43B, PRO44F, PRO61B, PRO62F, PRO88F, PRO95F, SER101F, SER103F, SER43F, SER48F, SER53F, SER58B, SER94B, SER95B, THR104F, THR175B, THR59F, THR93F, TRP46F, TRP70F, TRP86F, TYR100B, TYR107B, TYR35B, TYR48B, TYR60F, VAL4B, VAL90F
• C-E: ALA38C, ALA49E, ALA54E, ALA57E, ALA74E, ALA93C, ALA99C, ARG102E, ASN51E, ASN72E, ASP176C, ASP42E, ASP56C, ASP56E, GLN106C, GLN178C, GLN37C, GLN41C, GLN98C, GLU105C, GLU44C, GLU98E, GLY109C, GLY3C, GLY40C, GLY40E, GLY42C, GLY50E, GLY52E, GLY59C, GLY61E, GLY94E, GLY96E, GLY99E, HIS100E, HIS29C, HIS75E, HIS92E, ILE45E, LEU39C, LEU41E, LEU46C, LEU55E, LEU73E, LEU91C, MET2C, PHE108C, PHE33C, PHE45C, PHE47E, PHE58E, PRO106E, PRO110C, PRO177C, PRO39E, PRO43C, PRO44E, PRO62E, PRO95E, SER101E, SER103E, SER43E, SER48E, SER53E, SER58C, SER94C, SER95C, THR175C, THR59E, THR93E, TRP46E, TRP70E, TYR100C, TYR107C, TYR35C, TYR48C, TYR60E, VAL4C, VAL90E
• C-F: ALA129C, ALA136C, ALA144C, ALA14F, ALA150C, ALA240C, ALA242C, ALA65F, ALA74F, ARG102F, ARG190C, ARG196C, ARG198C, ARG245C, ASN72F, ASP176C, ASP35F, ASP67F, CYS148C, CYS192C, CYS31F, GLN105F, GLN178C, GLN183C, GLU127C, GLU132C, GLU135C, GLU137C, GLU182C, GLU241C, GLY152C, GLY172C, GLY61F, GLY68F, HIS140C, HIS170C, HIS75F, ILE138C, ILE17F, LEU13F, LEU146C, LEU149C, LEU180C, LEU193C, LEU197C, LEU19F, LEU20F, LEU32F, LEU34F, LEU73F, LEU76F, LYS143C, LYS181C, MET18F, MET27F, PHE10F, PHE131C, PHE153C, PHE58F, PRO11F, PRO133C, PRO15F, PRO16F, PRO177C, PRO179C, PRO184C, PRO62F, PRO64F, SER12F, SER134C, SER139C, SER171C, SER174C, SER194C, SER195C, SER63F, SER77F, THR104F, THR141C, THR145C, THR151C, THR175C, THR59F, THR66F, THR69F, THR71F, THR8F, TRP204C, TRP70F, TYR191C, TYR60F, VAL128C, VAL130C, VAL147C, VAL173C, VAL21F, VAL28F, VAL29F, VAL30F, VAL33F
• E-F: ALA37F, ALA65E, ALA65F, GLY40E, GLY68E, GLY68F, LEU41E, PRO38E, PRO38F, PRO39E, PRO39F, PRO62E, PRO62F, PRO64E, PRO64F, SER63E, SER63F, THR66E, THR66F, THR69E, THR69F, TRP70E, TRP70F