3UTP

1e6 tcr specific for hla-a*0201-alwgpdpaaa

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: D-K
  • Int. Res.: 97
  • Norm. En. per Res.: -2.965
• Hub Node: D(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
D-E	-63.0523	-76.106	105.908	-33.2503	221	44	17	24191	7	53	41
D-K	-41.0636	-69.5575	-176.983	-287.6041	97	25	2	7141	7	13	19
K-L	-118.4702	-70.9121	146.415	-42.9673	219	43	18	23610	6	51	35

Interface residues

• D-E: ALA101E, ALA109E, ALA119D, ALA128E, ALA135E, ALA143E, ALA149E, ALA173D, ALA175D, ALA184E, ALA191E, ALA200E, ALA239E, ALA241E, ALA90D, ALA93E, ARG106D, ARG112E, ARG124D, ARG164D, ARG189E, ARG195E, ARG197E, ARG244E, ARG41D, ARG41E, ARG92D, ARG9E, ASN103E, ASN171D, ASN50E, ASP117D, ASP125D, ASP130D, ASP138D, ASP152D, ASP155E, ASP157D, ASP162D, ASP175E, ASP196D, ASP246E, ASP56E, ASP57E, ASP94D, CYS134D, CYS147E, CYS159D, CYS173E, CYS184D, CYS89D, CYS92E, GLN105E, GLN122D, GLN141E, GLN147D, GLN177E, GLN182E, GLN215E, GLN31D, GLN37E, GLN38D, GLN6E, GLU126E, GLU131E, GLU134E, GLU136E, GLU158E, GLU181E, GLU240E, GLU3D, GLU44E, GLU45D, GLU98E, GLY102D, GLY104D, GLY108E, GLY110E, GLY151E, GLY171E, GLY42E, GLY43D, GLY59E, GLY93D, HIS10E, HIS139E, HIS156E, HIS169E, ILE100D, ILE104E, ILE137E, ILE155D, ILE47E, ILE55E, LEU100E, LEU108D, LEU123D, LEU135D, LEU145E, LEU148E, LEU159E, LEU161D, LEU179E, LEU192E, LEU196E, LEU43E, LEU45E, LEU46D, LEU46E, LEU47D, LEU88D, LEU96E, LEU99D, LYS102E, LYS127D, LYS131D, LYS142E, LYS158D, LYS169D, LYS180E, LYS2D, LYS42D, LYS56D, LYS98D, LYS99E, MET163D, MET166D, MET34D, MET39E, MET40E, MET48D, MET60E, MET91D, PHE101D, PHE107E, PHE130E, PHE136D, PHE139D, PHE152E, PHE168D, PHE198D, PHE199D, PHE202E, PHE216E, PHE33D, PHE33E, PHE49E, PHE91E, PRO116D, PRO118D, PRO132E, PRO176E, PRO178E, PRO183E, PRO200D, PRO44D, PRO8D, SER103D, SER126D, SER128D, SER129D, SER132D, SER133E, SER138E, SER148D, SER151D, SER165D, SER170D, SER170E, SER172D, SER177D, SER188E, SER193E, SER194E, SER199E, SER40D, SER58E, SER95D, SER95E, SER96D, THR137D, THR140E, THR144E, THR150E, THR156D, THR174E, THR201E, THR38E, THR50D, THR86D, TRP161E, TRP176D, TRP203E, TRP242E, TRP97E, TYR106E, TYR121D, TYR154D, TYR190E, TYR217E, TYR31E, TYR32D, TYR35E, TYR36D, TYR39D, TYR48E, TYR49D, TYR51D, TYR97D, VAL120D, VAL127E, VAL129E, VAL133D, VAL146E, VAL153D, VAL157E, VAL160D, VAL172E, VAL174D, VAL198E, VAL89E
• D-K: ALA17D, ALA17K, ALA63D, ALA63K, ARG110D, ARG110K, ARG77D, ARG77K, ASN144D, ASN144K, ASN22D, ASN22K, ASN55D, ASN55K, ASP140D, ASP140K, ASP66D, ASP66K, ASP78D, ASP78K, ASP7D, GLN142D, GLN142K, GLN31D, GLN64D, GLN64K, GLU15D, GLU15K, GLU57D, GLU57K, GLY16D, GLY16K, GLY54D, GLY54K, ILE18D, ILE18K, ILE192D, ILE192K, ILE76D, ILE76K, LEU108D, LEU108K, LEU11D, LEU11K, LEU21D, LEU21K, LEU74D, LEU74K, LYS158D, LYS158K, LYS56K, LYS67D, LYS67K, LYS70D, LYS70K, PHE61D, PHE61K, PHE75D, PHE75K, PRO10D, PRO10K, PRO14D, PRO14K, SER12D, SER12K, SER141D, SER141K, SER20D, SER20K, SER28D, SER28K, SER52D, SER52K, SER53D, SER53K, SER68D, SER68K, SER69D, SER69K, SER73D, SER73K, SER79D, SER79K, THR143D, THR143K, THR62D, THR62K, TYR25D, TYR25K, TYR71D, TYR71K, VAL13D, VAL13K, VAL19D, VAL19K, VAL65D, VAL65K
• K-L: ALA101L, ALA109L, ALA119K, ALA128L, ALA135L, ALA143L, ALA149L, ALA173K, ALA175K, ALA184L, ALA191L, ALA200L, ALA239L, ALA241L, ALA90K, ALA93L, ARG106K, ARG112L, ARG124K, ARG164K, ARG189L, ARG195L, ARG197L, ARG244L, ARG36L, ARG41K, ARG41L, ARG92K, ASN103L, ASN171K, ASN50L, ASP117K, ASP125K, ASP130K, ASP138K, ASP150K, ASP152K, ASP155L, ASP157K, ASP162K, ASP175L, ASP196K, ASP56L, ASP57L, CYS134K, CYS147L, CYS159K, CYS173L, CYS89K, CYS92L, GLN105L, GLN122K, GLN141L, GLN147K, GLN177L, GLN182L, GLN31K, GLN37L, GLN38K, GLU131L, GLU134L, GLU136L, GLU158L, GLU181L, GLU240L, GLU3K, GLU44L, GLU45K, GLU98L, GLY102K, GLY104K, GLY108L, GLY110L, GLY151L, GLY171L, GLY42L, GLY43K, GLY59L, GLY93K, HIS10L, HIS139L, HIS156L, HIS169L, ILE100K, ILE104L, ILE137L, ILE155K, ILE47L, ILE55L, LEU100L, LEU108K, LEU123K, LEU135K, LEU145L, LEU148L, LEU159L, LEU161K, LEU179L, LEU192L, LEU196L, LEU43L, LEU45L, LEU46K, LEU46L, LEU88K, LEU96L, LEU99K, LYS102L, LYS127K, LYS131K, LYS142L, LYS158K, LYS169K, LYS180L, LYS2K, LYS42K, LYS98K, LYS99L, MET163K, MET166K, MET34K, MET39L, MET40L, MET48K, MET60L, MET91K, PHE101K, PHE107L, PHE130L, PHE136K, PHE139K, PHE152L, PHE168K, PHE188K, PHE198K, PHE199K, PHE202L, PHE33K, PHE33L, PHE49L, PHE91L, PRO116K, PRO118K, PRO132L, PRO154L, PRO176L, PRO178L, PRO183L, PRO200K, PRO202K, PRO44K, PRO8K, SER103K, SER126K, SER128K, SER129K, SER132K, SER133L, SER138L, SER151K, SER165K, SER170K, SER170L, SER172K, SER177K, SER188L, SER193L, SER194L, SER199L, SER201K, SER40K, SER58L, SER95K, SER95L, SER96K, THR137K, THR140L, THR144L, THR150L, THR156K, THR174L, THR197K, THR201L, THR38L, THR50K, THR86K, TRP161L, TRP176K, TRP203L, TRP242L, TRP97L, TYR106L, TYR121K, TYR154K, TYR190L, TYR217L, TYR31L, TYR32K, TYR35L, TYR36K, TYR39K, TYR48L, TYR49K, TYR51K, TYR97K, VAL120K, VAL127L, VAL129L, VAL133K, VAL145K, VAL146L, VAL153K, VAL157L, VAL160K, VAL168L, VAL172L, VAL174K, VAL198L, VAL89L