3PGF

crystal structure of maltose bound mbp with a conformationally specific synthetic antigen binder (sab)

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-H
  • Int. Res.: 85
  • Norm. En. per Res.: -3.099
• 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-H	-6.4266	0.0	-256.987	-263.4136	85	10	3	8271	0	5	1
A-L	-16.7757	-39.0465	-67.1967	-123.0189	53	3	0	2863	2	4	4
H-L	-54.418	7.1274	169.322	122.0314	199	9	13	17931	0	15	14

Interface residues

• A-H: ALA109A, ALA112A, ALA301A, ALA303A, ALA312A, ALA318A, ALA319A, ALA324A, ALA96A, ARG94H, ARG98A, ASN100A, ASN28H, ASN323A, ASN332A, ASP65A, ASP95A, GLN325A, GLN86A, GLU111A, GLU308A, GLU309A, GLU322A, GLU328A, GLY100H, GLY101A, GLY260A, GLY300A, GLY327A, GLY55H, GLY68A, HIS35H, HIS64A, ILE317A, ILE329A, ILE333A, ILE51H, LEU100H, LEU103A, LEU304A, LEU311A, LEU89A, LYS102A, LYS256A, LYS305A, LYS326A, LYS83A, MET321A, MET330A, MET336A, PHE258A, PHE27H, PHE92A, PRO257A, PRO331A, PRO91A, PRO96H, SER100H, SER30H, SER31H, SER32H, SER52H, SER54H, SER58H, THR320A, THR57H, THR93A, THR95H, TRP100H, TRP47H, TRP94A, TRP97H, TRP98H, TYR33H, TYR50H, TYR53H, TYR56H, TYR90A, TYR99A, TYR99H, VAL110A, VAL259A, VAL261A, VAL302A, VAL97A
• A-L: ALA312A, ALA318A, ALA32L, ALA84A, ARG66L, ARG98A, ASP87A, ASP95A, GLN27L, GLN325A, GLN86A, GLN89L, GLN90L, GLU308A, GLU309A, GLU310A, GLU322A, GLY68L, ILE2L, ILE94L, LEU304A, LEU54L, LEU89A, LYS305A, LYS313A, LYS83A, LYS88A, MET321A, PHE71L, PHE92A, PRO91A, PRO95L, SER28L, SER306A, SER30L, SER31L, SER50L, SER52L, SER53L, SER56L, SER67L, SER91L, SER92L, THR69L, TRP94A, TYR307A, TYR49L, TYR55L, TYR90A, TYR93L, VAL29L, VAL33L, VAL96L
• H-L: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA32L, ALA34L, ALA43L, ALA49H, ALA51L, ALA60H, ALA93H, ARG142L, ARG38H, ARG94H, ASN137L, ASN138L, ASN158L, ASN210L, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, ASP61H, CYS134L, CYS140H, CYS214L, CYS216H, CYS88L, CYS92H, GLN100L, GLN105H, GLN124L, GLN160L, GLN166L, GLN171H, GLN37L, GLN38L, GLN39H, GLN6L, GLN89L, GLN90L, GLU161L, GLU165L, GLU213L, GLU46H, GLU6H, GLY100H, GLY101L, GLY104H, GLY106H, GLY128L, GLY139H, GLY157L, GLY162H, GLY212L, GLY41L, GLY42H, GLY44H, GLY99L, HIS164H, HIS35H, ILE117L, ILE48L, ILE94L, LEU100H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU45H, LEU46L, LEU47L, LYS103L, LYS126L, LYS129H, LYS143H, LYS169L, LYS207L, LYS209H, LYS214H, LYS39L, LYS42L, LYS43H, LYS45L, LYS64H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE209L, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO95L, PRO96H, SER100H, SER114L, SER120H, SER121L, SER123L, SER127H, SER127L, SER128H, SER130H, SER131L, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER182L, SER186H, SER208L, SER215H, SER30L, SER31L, SER50L, SER53L, SER56L, SER58H, SER62H, SER91L, SER92L, THR129L, THR131H, THR135H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR57H, THR85L, THR95H, THR97L, TRP100H, TRP103H, TRP35L, TRP36H, TRP47H, TRP98H, TYR102H, TYR173L, TYR176H, TYR33H, TYR36L, TYR49L, TYR50H, TYR55L, TYR56H, TYR59H, TYR86L, TYR87L, TYR91H, TYR93L, TYR99H, VAL115L, VAL121H, VAL132L, VAL133L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H, VAL2H, VAL33L, VAL37H, VAL48H, VAL89H, VAL96L