1SM3

crystal structure of the tumor specific antibody sm3 complex with its peptide epitope

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 34
  • Norm. En. per Res.: -3.7775
• Hub Node: L(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
L-H	-53.1324	-21.4902	-457.473	-532.0956	172	7	10	17637	1	17	15
L-P	0.0	0.0	-58.1304	-58.1304	29	2	2	1894	0	1	0
H-P	-25.0077	1.0293	-104.457	-128.4354	34	4	2	3570	0	6	4

Interface residues

• L-H: ALA101H, ALA125H, ALA130L, ALA168H, ALA174L, ALA33L, ALA49H, ALA55L, ALA60H, ALA89L, ARG208L, ARG213H, ARG38H, ARG52H, ARG54L, ASN128L, ASN169L, ASN31L, ASN34L, ASN35H, ASN53L, ASN94L, ASP138L, ASP41L, CYS134L, CYS140H, CYS88L, GLN105H, GLN163L, GLN167L, GLN171H, GLN37L, GLN39H, GLN7L, GLN97H, GLU123L, GLU124L, GLU126L, GLU160L, GLU38L, GLU46H, GLU50H, GLU61H, GLY100L, GLY101L, GLY104H, GLY106H, GLY127H, GLY139H, GLY158L, GLY44H, GLY46L, GLY49L, GLY50L, GLY57L, GLY94H, GLY96H, GLY99L, HIS164H, HIS42L, HIS58H, HIS95L, ILE136L, ILE210H, ILE48L, ILE85L, ILE89H, LEU117L, LEU124H, LEU125L, LEU132L, LEU138H, LEU141H, LEU170H, LEU177H, LEU178L, LEU180L, LEU206L, LEU43L, LEU45H, LEU47L, LEU90L, LYS129L, LYS143H, LYS171L, LYS204L, LYS43H, LYS64H, MET159L, MET173L, PHE118L, PHE139L, PHE166H, PHE44L, PHE87L, PHE98H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO164L, PRO167H, PRO41H, PRO56L, SER114L, SER121L, SER122L, SER165L, SER168L, SER172H, SER175L, SER176L, SER178H, SER179H, SER180H, SER205L, SER207L, SER40H, SER93L, THR116L, THR120H, THR127L, THR131L, THR135L, THR137H, THR137L, THR161L, THR162L, THR165H, THR176H, THR179L, THR181L, THR182H, THR45L, THR51L, THR57H, THR93H, TRP103H, TRP154H, TRP185L, TRP33H, TRP35L, TRP36H, TRP47H, TRP91L, TRP96L, TYR102H, TYR122H, TYR172L, TYR177L, TYR32H, TYR32L, TYR59H, TYR86L, TYR91H, VAL115L, VAL121H, VAL133L, VAL136H, VAL142H, VAL163H, VAL169H, VAL181H, VAL211H, VAL2H, VAL36L, VAL37H, VAL48H, VAL58L, VAL95H, VAL97L
• L-P: ALA33L, ALA3P, ALA55L, ALA9P, ARG54L, ARG7P, ASN31L, ASN34L, ASN53L, ASN94L, ASP5P, GLY49L, GLY50L, GLY57L, HIS95L, PRO10P, PRO4P, PRO56L, PRO8P, SER2P, SER30L, SER93L, THR29L, THR51L, THR6P, TRP91L, TRP96L, TYR32L, TYR92L
• H-P: ALA101H, ALA3P, ALA9P, ARG52H, ARG71H, ARG7P, ASN31H, ASN35H, ASP5P, GLN97H, GLU50H, GLY26H, GLY94H, GLY96H, HIS58H, ILE51H, LEU52H, MET34H, PHE27H, PHE29H, PHE98H, PRO10P, PRO4P, PRO8P, SER2P, SER30H, SER52H, THR28H, THR6P, TRP33H, TYR102H, TYR32H, VAL2H, VAL95H