3PP3

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: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: I-K
  • Int. Res.: 193
  • Norm. En. per Res.: -2.9218
• 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	-54.5575	-16.9916	-484.627	-556.1761	192	24	11	18872	1	19	13
H-K	-13.1742	-3.4772	-51.4714	-68.1228	71	7	0	3188	0	11	14
L-K	0.0	0.0	-0.0118	-0.0118	4	0	0	7	0	0	0
I-K	-48.3497	-15.5092	-500.041	-563.9	193	14	12	19030	1	15	12

Interface residues

• H-L: ALA131H, ALA135L, ALA142H, ALA143H, ALA174H, ALA40H, ALA94L, ALA97H, ARG38H, ARG50H, ARG98H, ASN142L, ASN143L, 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, GLU46H, GLU98L, GLY103H, GLY104L, GLY105L, GLY106L, GLY110H, GLY112H, GLY139H, GLY140H, GLY145H, GLY168H, GLY42H, GLY44H, GLY46L, GLY49H, GLY62H, HIS170H, ILE122L, ILE35L, ILE53L, LEU106H, LEU130H, LEU130L, LEU140L, LEU141L, LEU144H, LEU147H, LEU176H, LEU180L, LEU184H, LEU184L, LEU186L, LEU38L, LEU42L, LEU45H, LEU51L, LEU52L, LEU59L, LEU97L, LEU99L, LEU9L, LYS108L, LYS131L, LYS135H, LYS149H, LYS174L, LYS212L, LYS215H, LYS220H, LYS63H, MET48H, MET4L, PHE101H, PHE103L, PHE121L, PHE123L, PHE128H, PHE144L, PHE172H, PHE214L, PHE64H, PRO100L, PRO124L, PRO125L, PRO129H, PRO132H, PRO173H, PRO49L, SER119L, SER126H, SER126L, SER132L, SER133H, SER134H, SER136H, SER136L, SER138H, SER164L, SER167H, SER167L, SER173L, SER178H, SER179L, SER181L, SER182L, SER183H, SER185H, SER186H, SER192H, SER213L, SER48L, SER61L, THR102L, THR113H, THR134L, THR137H, THR141H, THR166H, THR169L, THR171H, THR177L, THR183L, THR185L, THR189H, THR58H, TRP105H, TRP109H, TRP33H, TRP36H, TRP40L, TRP47H, TYR101L, TYR104H, TYR108H, TYR178L, TYR37L, TYR39L, TYR41L, TYR54L, TYR60H, TYR91L, TYR92L, TYR94H, TYR95H, VAL100H, VAL107H, VAL120L, VAL127H, VAL137L, VAL138L, VAL148H, VAL168L, VAL169H, VAL175H, VAL187H, VAL188H, VAL190H, VAL213H, VAL217H, VAL37H, VAL3L, VAL60L, VAL90L, VAL93H
• H-K: ALA149K, ALA24H, ALA9H, ARG113K, ARG147K, ARG24K, ASN203H, ASN205H, ASN210H, ASP214H, ASP73H, ASP75K, CYS22H, GLN204K, GLN6H, GLU10H, GLU148K, GLY205K, GLY34K, GLY71K, GLY73K, GLY8H, HIS203K, HIS206H, HIS31K, ILE201H, LEU206K, LEU29K, LEU30K, LYS112K, LYS12H, LYS19H, LYS207H, LYS212H, LYS215H, LYS216H, LYS23H, LYS74H, MET56K, PHE76K, PRO12K, PRO146K, PRO8K, SER10K, SER162H, SER207K, SER208K, SER209H, SER21H, SER22K, SER28K, SER32K, SER70K, SER72K, SER75H, SER77H, SER7H, THR113H, THR114K, THR211H, THR36K, THR74K, THR76H, THR78H, TYR145K, TYR80H, VAL115K, VAL18H, VAL204H, VAL20H, VAL213H
• L-K: GLU128L, LYS131L, PRO209K, SER207K
• I-K: ALA131I, ALA135K, ALA142I, ALA143I, ALA174I, ALA40I, ALA94K, ALA97I, ARG147K, ARG38I, ARG50I, ARG98I, ASN142K, ASN143K, ASN35I, ASN58K, ASN61I, ASN96K, ASN99I, ASP102I, ASP127K, ASP150I, ASP172K, ASP175K, ASP1K, ASP59I, CYS139K, CYS146I, CYS219K, CYS93K, CYS96I, GLN111I, GLN129K, GLN165K, GLN171K, GLN177I, GLN39I, GLN43I, GLN43K, GLN47K, GLN50K, GLN55K, GLN6I, GLN95K, GLU128K, GLU166K, GLU170K, GLU218K, GLU46I, GLU98K, GLY103I, GLY104K, GLY105K, GLY106K, GLY110I, GLY112I, GLY139I, GLY140I, GLY145I, GLY168I, GLY42I, GLY44I, GLY46K, GLY49I, GLY62I, GLY62K, HIS170I, ILE122K, ILE35K, ILE53K, LEU106I, LEU130I, LEU130K, LEU140K, LEU141K, LEU144I, LEU147I, LEU176I, LEU180K, LEU181I, LEU184I, LEU184K, LEU186K, LEU38K, LEU42K, LEU45I, LEU51K, LEU52K, LEU59K, LEU97K, LEU99K, LYS108K, LYS131K, LYS135I, LYS149I, LYS174K, LYS212K, LYS215I, LYS216I, LYS63I, MET48I, MET4K, PHE101I, PHE103K, PHE121K, PHE123K, PHE128I, PHE144K, PHE172I, PHE214K, PHE64I, PRO100K, PRO124K, PRO125K, PRO129I, PRO132I, PRO173I, PRO219I, PRO49K, SER119K, SER126I, SER126K, SER132K, SER133I, SER134I, SER136I, SER136K, SER167I, SER167K, SER173K, SER178I, SER179I, SER179K, SER181K, SER182K, SER183I, SER185I, SER186I, SER192I, SER213K, SER48K, SER61K, THR102K, THR113I, THR134K, THR141I, THR166I, THR169K, THR171I, THR177K, THR183K, THR185K, THR189I, THR58I, TRP105I, TRP109I, TRP33I, TRP36I, TRP40K, TRP47I, TYR101K, TYR104I, TYR108I, TYR178K, TYR182I, TYR37K, TYR39K, TYR41K, TYR54K, TYR60I, TYR91K, TYR92K, TYR94I, TYR95I, VAL100I, VAL107I, VAL120K, VAL127I, VAL137K, VAL138K, VAL148I, VAL168K, VAL169I, VAL175I, VAL187I, VAL188I, VAL190I, VAL217I, VAL37I, VAL3K, VAL60K, VAL90K, VAL93I