1PG7

murine 6a6 fab in complex with humanized anti-tissue factor d3h44 fab

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: H-X
  • Int. Res.: 47
  • Norm. En. per Res.: -3.6149
• Hub Node: H(5)

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-I	0.0	0.0	-12.4645	-12.4645	6	0	0	715	0	0	1
H-L	-29.7793	-24.1876	-432.753	-486.7198	176	16	15	17085	2	23	20
H-W	0.0	0.0	-4.6381	-4.6381	10	0	0	258	0	2	0
H-X	-25.3129	-34.0331	-110.552	-169.898	47	1	2	4058	6	16	12
H-Z	0.0	0.0	-0.0276	-0.0276	3	0	0	15	0	0	0
I-M	-43.7005	-22.2781	-431.042	-497.0205	180	11	15	17025	2	23	20
I-X	0.0	0.0	-0.0788	-0.0788	4	0	0	33	0	0	0
I-Y	0.0	0.0	-7.2972	-7.2972	11	0	0	327	0	2	0
I-Z	-28.9632	-23.0567	-110.732	-162.7519	48	4	2	4102	6	16	11
L-M	-4.339	-3.5779	-51.7613	-59.6783	32	1	0	2427	0	6	6
L-W	-10.4303	0.0	-84.0975	-94.5278	34	4	0	2968	0	2	1
L-X	-4.611	-16.5925	-116.372	-137.5755	46	2	2	4089	2	9	11
M-Y	-8.1944	0.0	-72.7311	-80.9255	33	4	0	2702	0	2	1
M-Z	-6.0863	-13.1031	-114.276	-133.4654	48	10	2	4145	1	10	11
W-X	-31.4213	-42.474	-473.576	-547.4712	182	13	8	19959	3	20	23
Y-Z	-16.454	-29.0806	-470.323	-515.8576	186	9	9	19625	2	22	24

Interface residues

• H-I: GLN3H, GLN3I, GLU1H, GLU1I, VAL2H, VAL2I
• H-L: ALA125H, ALA130L, ALA136H, ALA137H, ALA168H, ALA43L, ALA51L, ALA55L, ALA93H, ALA97H, ALA98H, ARG38H, ARG94H, ASN137L, ASN138L, ASN34L, ASP101H, ASP122L, ASP144H, ASP167L, ASP170L, ASP1L, ASP60H, ASP95H, CYS134L, CYS140H, CYS88L, CYS92H, GLN100L, GLN105H, GLN124L, GLN160L, GLN171H, GLN37L, GLN38L, GLN39H, GLN6L, GLN90L, GLU123L, GLU161L, GLU165L, GLU46H, GLU56L, GLU6H, GLU93L, GLY101L, GLY104H, GLY106H, GLY133H, GLY139H, GLY162H, GLY41L, GLY42H, GLY44H, GLY49H, GLY99L, HIS164H, HIS35H, HIS91L, ILE117L, ILE48L, ILE58H, LEU124H, LEU125L, LEU135L, LEU136L, LEU138H, LEU141H, LEU170H, LEU175H, LEU175L, LEU178H, LEU179L, LEU181L, LEU33L, LEU45H, LEU47L, LEU50H, LEU54L, LEU89L, LYS126L, LYS143H, LYS169L, LYS207L, LYS209H, LYS210H, LYS39L, LYS42L, LYS43H, LYS45L, LYS62H, PHE100H, PHE116L, PHE118L, PHE122H, PHE139L, PHE166H, PHE63H, PHE98L, PRO119L, PRO120L, PRO123H, PRO126H, PRO167H, PRO40L, PRO44L, PRO61H, PRO95L, SER114L, SER120H, SER121L, SER127H, SER127L, SER128H, SER131L, SER159L, SER161H, SER162L, SER168L, SER172H, SER173H, SER174L, SER176L, SER177H, SER177L, SER179H, SER180H, SER186H, SER53L, SER94L, THR129L, THR135H, THR160H, THR164L, THR165H, THR172L, THR178L, THR180L, THR183H, THR85L, THR96H, THR97L, TRP103H, TRP35L, TRP36H, TRP47H, TRP96L, TYR102H, TYR173L, TYR176H, TYR32L, TYR33H, TYR36L, TYR49L, TYR50L, TYR59H, TYR86L, TYR87L, TYR91H, TYR99H, VAL115L, VAL121H, VAL132L, VAL133L, VAL142H, VAL163H, VAL163L, VAL169H, VAL181H, VAL182H, VAL184H, VAL211H, VAL37H, VAL46L, VAL48H, VAL89H
• H-W: ALA55W, ARG54W, ASN56H, ASP52H, GLN54H, GLU53H, GLY57W, ILE58H, PRO56W, TYR33H
• H-X: ALA97H, ALA98H, ARG94H, ARG94X, ARG98X, ASN54X, ASN56H, ASP101H, ASP101X, ASP52H, ASP95H, ASP96X, GLN54H, GLU1X, GLU31H, GLU53H, GLY26X, GLY31X, GLY55H, HIS100X, HIS32X, HIS35H, HIS52X, HIS53X, ILE51H, ILE58H, LEU33X, LEU50H, MET34H, PHE100H, PHE29X, PHE97X, PRO52H, PRO52X, SER28X, THR30X, THR57H, THR96H, TRP47H, TYR100X, TYR102X, TYR27X, TYR32H, TYR33H, TYR99H, TYR99X, VAL2X
• H-Z: ALA158H, GLU81Z, LYS19Z
• I-M: ALA125I, ALA130M, ALA136I, ALA137I, ALA168I, ALA43M, ALA51M, ALA55M, ALA93I, ALA97I, ALA98I, ARG38I, ARG94I, ASN137M, ASN138M, ASN158M, ASN34M, ASP101I, ASP122M, ASP144I, ASP167M, ASP170M, ASP1M, ASP60I, ASP95I, CYS134M, CYS140I, CYS88M, CYS92I, GLN100M, GLN105I, GLN124M, GLN160M, GLN166M, GLN171I, GLN37M, GLN38M, GLN39I, GLN3M, GLN90M, GLU123M, GLU161M, GLU165M, GLU46I, GLU56M, GLU6I, GLU93M, GLY101M, GLY104I, GLY106I, GLY133I, GLY139I, GLY157M, GLY162I, GLY41M, GLY42I, GLY44I, GLY49I, GLY99M, HIS164I, HIS35I, HIS91M, ILE117M, ILE48M, ILE58I, LEU124I, LEU125M, LEU135M, LEU136M, LEU138I, LEU141I, LEU170I, LEU175I, LEU175M, LEU178I, LEU179M, LEU181M, LEU33M, LEU45I, LEU47M, LEU50I, LEU89M, LYS126M, LYS143I, LYS169M, LYS207M, LYS209I, LYS39M, LYS42M, LYS43I, LYS45M, LYS62I, PHE100I, PHE116M, PHE118M, PHE122I, PHE139M, PHE166I, PHE209M, PHE63I, PHE98M, PRO119M, PRO120M, PRO123I, PRO126I, PRO167I, PRO40M, PRO44M, PRO61I, PRO95M, SER114M, SER120I, SER121M, SER127I, SER127M, SER128I, SER131M, SER159M, SER161I, SER162M, SER168M, SER172I, SER173I, SER174M, SER176M, SER177I, SER177M, SER179I, SER180I, SER186I, SER208M, SER53M, SER94M, THR129M, THR135I, THR160I, THR164M, THR165I, THR172M, THR178M, THR180M, THR183I, THR85M, THR96I, THR97M, TRP103I, TRP35M, TRP36I, TRP47I, TRP96M, TYR102I, TYR173M, TYR32M, TYR33I, TYR36M, TYR49M, TYR50M, TYR59I, TYR86M, TYR87M, TYR91I, TYR99I, VAL115M, VAL121I, VAL132M, VAL133M, VAL142I, VAL163I, VAL163M, VAL169I, VAL181I, VAL182I, VAL184I, VAL207I, VAL211I, VAL37I, VAL46M, VAL48I, VAL58M, VAL89I
• I-X: ALA158I, GLU81X, GLY157I, LYS19X
• I-Y: ALA55Y, ARG54Y, ASN53Y, ASN56I, ASP52I, GLN54I, GLU53I, GLY57Y, ILE58I, PRO56Y, TYR33I
• I-Z: ALA97I, ALA98I, ARG94I, ARG94Z, ARG98Z, ASN54Z, ASN56I, ASP101I, ASP101Z, ASP52I, ASP95I, ASP96Z, GLN54I, GLU1Z, GLU31I, GLU53I, GLY26Z, GLY31Z, GLY55I, HIS100Z, HIS32Z, HIS35I, HIS52Z, HIS53Z, ILE51I, ILE58I, LEU33Z, LEU50I, MET34I, PHE100I, PHE29Z, PHE97Z, PRO52I, PRO52Z, SER28Z, THR30Z, THR57I, THR96I, TRP47I, TYR100Z, TYR102Z, TYR27Z, TYR32I, TYR33I, TYR59I, TYR99I, TYR99Z, VAL2Z
• L-M: ARG61L, ARG61M, ASP17L, ASP82L, ASP82M, GLN79L, GLN79M, GLU81L, GLU81M, GLY16L, GLY16M, LEU54L, LEU54M, LEU78L, LEU78M, PHE62L, PHE62M, PHE83L, PRO59L, PRO59M, PRO80L, PRO80M, SER60L, SER60M, SER76L, SER76M, SER77L, SER77M, VAL15L, VAL15M, VAL58L, VAL58M
• L-W: ARG27L, ASN31W, ASN34W, ASN52W, ASN53W, ASN94W, ASP28L, GLN90L, GLU93L, GLY50W, GLY68L, GLY92L, HIS91L, HIS95W, ILE29L, ILE2L, LYS30L, SER26L, SER30W, SER31L, SER67L, SER93W, SER94L, THR28W, THR29W, THR51W, THR69L, TRP91W, TRP96W, TYR32L, TYR32W, TYR50L, TYR71L, TYR92W
• L-X: ALA51L, ALA55L, ALA56X, ARG27L, ARG73X, ARG98X, ASN34L, ASN35X, ASN54X, ASP96X, GLN90L, GLU56L, GLU93L, GLU95X, GLY55X, GLY92L, HIS100X, HIS52X, HIS53X, HIS91L, ILE29L, ILE2L, ILE57X, LEU33X, LEU50X, LEU54L, LYS30L, MET100X, PHE97X, PRO52X, PRO95L, SER31L, SER53L, SER67L, SER94L, THR30X, THR52L, THR58X, TRP47X, TRP96L, TYR100X, TYR32L, TYR49L, TYR50L, TYR99X, VAL51X
• M-Y: ARG27M, ASN31Y, ASN52Y, ASN53Y, ASN94Y, ASP28M, GLN90M, GLU93M, GLY50Y, GLY68M, GLY92M, HIS91M, HIS95Y, ILE29M, ILE2M, LYS30M, SER26M, SER30Y, SER31M, SER67M, SER93Y, SER94M, THR28Y, THR29Y, THR51Y, THR69M, TRP91Y, TRP96Y, TYR32M, TYR32Y, TYR50M, TYR71M, TYR92Y
• M-Z: ALA51M, ALA55M, ALA56Z, ARG27M, ARG73Z, ARG98Z, ASN34M, ASN35Z, ASN54Z, ASP96Z, GLN90M, GLU56M, GLU93M, GLU95Z, GLY55Z, GLY92M, HIS100Z, HIS32Z, HIS52Z, HIS53Z, HIS91M, ILE29M, ILE2M, ILE48M, ILE57Z, LEU33Z, LEU34Z, LEU50Z, LEU54M, LYS30M, MET100Z, PHE97Z, PRO52Z, PRO95M, SER31M, SER53M, SER94M, THR30Z, THR52M, THR58Z, TRP47Z, TRP96M, TYR100Z, TYR32M, TYR49M, TYR50M, TYR99Z, VAL51Z
• W-X: ALA125X, ALA131W, ALA168X, ALA173W, ALA33W, ALA55W, ALA89W, ALA93X, ARG54W, ARG94X, ASN117W, ASN168W, ASN34W, ASN35X, ASN44X, ASN52W, ASN53W, ASN60X, ASN94W, ASP101X, ASP41W, ASP96X, CYS128X, CYS135W, CYS140X, CYS88W, CYS92X, GLN105X, GLN164W, GLN168W, GLN171X, GLN1W, GLN37W, GLN39X, GLN61X, GLN6W, GLU124W, GLU125W, GLU139W, GLU161W, GLU38W, GLU46X, GLU95X, GLY100W, GLY101W, GLY104X, GLY106X, GLY129X, GLY139X, GLY162X, GLY42X, GLY46W, GLY49W, GLY49X, GLY50W, GLY57W, GLY99W, HIS100X, HIS164X, HIS32X, HIS41X, HIS42W, HIS95W, ILE137W, ILE210X, ILE48W, ILE48X, ILE85W, LEU118W, LEU124X, LEU126W, LEU133W, LEU138X, LEU141X, LEU170X, LEU174X, LEU177X, LEU179W, LEU205W, LEU33X, LEU43W, LEU45X, LEU50X, LYS103W, LYS127W, LYS129W, LYS130W, LYS143X, LYS167W, LYS170W, LYS203W, LYS208X, LYS209X, LYS213X, LYS38X, LYS43X, LYS62X, MET100X, MET172W, PHE119W, PHE140W, PHE166X, PHE44W, PHE63X, PHE87W, PHE97X, PHE98W, PRO120W, PRO121W, PRO123X, PRO126X, PRO165W, PRO167X, PRO40W, PRO56W, SER100X, SER115W, SER120X, SER122W, SER123W, SER166W, SER168W, SER172X, SER174W, SER175W, SER178X, SER179X, SER180X, SER204W, SER206W, SER93W, THR102W, THR128W, THR132W, THR132X, THR136W, THR137X, THR138W, THR162W, THR163W, THR165X, THR176X, THR178W, THR182X, THR45W, THR51W, THR58X, TRP103X, TRP184W, TRP188X, TRP35W, TRP36X, TRP47X, TRP91W, TRP96W, TYR100X, TYR102X, TYR122X, TYR145X, TYR171W, TYR176W, TYR32W, TYR59X, TYR86W, TYR91X, TYR99X, VAL116W, VAL121X, VAL127X, VAL134W, VAL136X, VAL142X, VAL163X, VAL169X, VAL181X, VAL211X, VAL36W, VAL37X, VAL47W, VAL58W, VAL89X, VAL97W
• Y-Z: ALA125Z, ALA131Y, ALA168Z, ALA173Y, ALA33Y, ALA55Y, ALA89Y, ALA93Z, ARG146Y, ARG54Y, ARG94Z, ASN117Y, ASN168Y, ASN34Y, ASN35Z, ASN44Z, ASN52Y, ASN53Y, ASN60Z, ASN94Y, ASP101Z, ASP160Y, ASP41Y, ASP96Z, CYS128Z, CYS135Y, CYS140Z, CYS88Y, CYS92Z, GLN105Z, GLN164Y, GLN168Y, GLN171Z, GLN1Y, GLN37Y, GLN39Z, GLN61Z, GLN6Y, GLU124Y, GLU125Y, GLU139Y, GLU161Y, GLU38Y, GLU46Z, GLU95Z, GLY100Y, GLY101Y, GLY104Z, GLY106Z, GLY139Z, GLY159Y, GLY162Z, GLY42Z, GLY46Y, GLY49Y, GLY49Z, GLY50Y, GLY57Y, GLY99Y, HIS100Z, HIS164Z, HIS32Z, HIS41Z, HIS42Y, HIS95Y, ILE137Y, ILE210Z, ILE48Y, ILE48Z, ILE85Y, LEU118Y, LEU124Z, LEU126Y, LEU133Y, LEU138Z, LEU141Z, LEU170Z, LEU177Y, LEU177Z, LEU179Y, LEU205Y, LEU33Z, LEU43Y, LEU45Z, LEU50Z, LYS103Y, LYS127Y, LYS129Y, LYS130Y, LYS143Z, LYS167Y, LYS170Y, LYS203Y, LYS208Z, LYS209Z, LYS213Z, LYS38Z, LYS39Y, LYS43Z, LYS62Z, LYS64Z, MET100Z, MET172Y, PHE119Y, PHE140Y, PHE166Z, PHE44Y, PHE87Y, PHE97Z, PHE98Y, PRO120Y, PRO121Y, PRO123Z, PRO126Z, PRO165Y, PRO167Z, PRO56Y, SER100Z, SER108Z, SER115Y, SER120Z, SER122Y, SER123Y, SER135Z, SER166Y, SER168Y, SER172Z, SER174Y, SER175Y, SER178Z, SER179Z, SER180Z, SER204Y, SER206Y, SER8Y, SER93Y, THR102Y, THR128Y, THR132Y, THR132Z, THR136Y, THR137Z, THR138Y, THR162Y, THR163Y, THR165Z, THR176Z, THR178Y, THR182Z, THR45Y, THR51Y, THR58Z, TRP103Z, TRP154Z, TRP184Y, TRP35Y, TRP36Z, TRP47Z, TRP91Y, TRP96Y, TYR100Z, TYR102Z, TYR122Z, TYR171Y, TYR176Y, TYR32Y, TYR59Z, TYR86Y, TYR91Z, TYR99Z, VAL116Y, VAL121Z, VAL127Z, VAL134Y, VAL136Z, VAL142Z, VAL163Z, VAL169Z, VAL181Z, VAL211Z, VAL36Y, VAL37Z, VAL47Y, VAL58Y, VAL89Z, VAL97Y