3PP4

epitope characterization and crystal structure of ga101 provide insights into the molecular basis for the type i / type ii distinction of anti- cd20 antibodies

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: H-P
  • Int. Res.: 35
  • Norm. En. per Res.: -3.7085
• Hub Node: H(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
H-L	-38.8998	-26.7531	-523.625	-589.2779	195	17	12	20315	2	22	18
H-P	-23.433	-1.308	-105.057	-129.798	35	3	0	3400	1	6	5
L-P	-11.1553	0.0	-64.9129	-76.0682	23	5	1	2290	0	3	3

Interface residues

• H-L: ALA131H, ALA135L, ALA142H, ALA143H, ALA174H, ALA40H, ALA94L, ALA97H, ARG38H, ARG50H, ASN142L, ASN143L, ASN215L, ASN35H, ASN58L, ASN61H, ASN96L, ASN99H, ASP102H, ASP127L, ASP150H, ASP172L, ASP175L, ASP1L, ASP59H, CYS139L, CYS146H, CYS219L, CYS93L, CYS96H, GLN111H, GLN129L, GLN165L, GLN171L, GLN177H, GLN39H, GLN43H, GLN43L, GLN47L, GLN50L, GLN55L, GLN6H, GLN6L, GLN95L, GLU128L, GLU166L, GLU170L, GLU218L, GLU46H, GLU98L, GLY103H, GLY104L, GLY105L, GLY106L, GLY110H, GLY112H, GLY133L, GLY139H, GLY145H, GLY168H, GLY217L, GLY42H, GLY44H, GLY46L, GLY49H, GLY62H, HIS170H, ILE122L, ILE34H, ILE35L, ILE53L, LEU106H, LEU130H, LEU130L, LEU140L, LEU141L, LEU144H, LEU147H, LEU176H, LEU180L, LEU181H, LEU184H, LEU186L, LEU38L, LEU42L, LEU45H, LEU4H, LEU51L, LEU52L, LEU59L, LEU97L, LEU99L, LEU9L, LYS131L, LYS135H, LYS149H, LYS174L, LYS212L, LYS215H, LYS216H, LYS220H, LYS63H, MET48H, MET4L, PHE101H, PHE103L, PHE121L, PHE123L, PHE128H, PHE144L, PHE172H, PHE214L, PHE64H, PRO100L, PRO118L, PRO124L, PRO125L, PRO129H, PRO132H, PRO173H, PRO49L, SER119L, SER126H, SER126L, SER132L, SER133H, SER134H, SER136H, SER136L, SER138H, SER164L, SER167H, SER167L, SER173L, SER178H, SER179H, SER179L, SER181L, SER182L, SER183H, SER185H, SER186H, SER192H, SER213L, SER48L, SER61L, THR102L, THR134L, THR137H, THR141H, THR169L, THR171H, THR177L, THR183L, THR185L, THR189H, THR58H, TRP105H, TRP109H, TRP33H, TRP36H, TRP40L, TRP47H, TYR101L, TYR104H, TYR108H, TYR178L, TYR182H, TYR197L, TYR37L, TYR39L, TYR41L, TYR54L, TYR60H, TYR91L, TYR92L, TYR95H, VAL100H, VAL107H, VAL120L, VAL127H, VAL137L, VAL138L, VAL148H, VAL168L, VAL169H, VAL175H, VAL187H, VAL188H, VAL213H, VAL217H, VAL37H, VAL60L, VAL90L, VAL93H
• H-P: ALA170P, ARG50H, ARG98H, ASN171P, ASN176P, ASN35H, ASN99H, ASP102H, ASP55H, ASP57H, ASP59H, GLN181P, GLU174P, GLY103H, GLY54H, LEU106H, LYS175P, PHE101H, PHE52H, PRO169P, PRO172P, PRO178P, SER173P, SER177P, SER179P, SER30H, SER32H, THR180P, THR58H, TRP105H, TRP33H, TRP47H, TYR104H, TYR31H, VAL100H
• L-P: ALA170P, ASN166P, ASN171P, ASN33L, ASN96L, GLN55L, GLN95L, GLU168P, GLU174P, GLU98L, HIS31L, ILE35L, LEU97L, LEU99L, LYS175P, PRO100L, PRO169P, PRO172P, SER173P, SER32L, TYR101L, TYR37L, TYR39L