3L5W

crystal structure of the complex between il-13 and c836 fab

• Total interactions analyzed: 15
• Total true interactions: 9
• Strongest Interaction:
  • Chains: H-I
  • Int. Res.: 36
  • Norm. En. per Res.: -7.5594
• Hub Node: L(4)

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	-42.0876	-37.7025	-536.462	-616.2521	203	28	10	20551	3	31	24
L-I	-7.336	0.0	-30.6421	-37.9781	23	1	0	1265	0	5	6
L-A	0.0	2.3727	-10.9175	-8.5448	23	1	0	721	0	6	6
L-B	0.0	0.0	-0.0954	-0.0954	3	0	0	27	0	1	0
H-I	-23.2502	-111.3938	-137.495	-272.1391	36	3	2	4732	9	21	18
I-B	-7.4818	0.0	-11.1677	-18.6495	22	2	0	673	0	1	1
A-B	-20.5576	-41.4947	-484.98	-547.0323	196	18	10	19341	3	27	22
A-J	0.0	0.0	-27.9096	-27.9096	24	1	0	1231	0	5	8
B-J	-29.4331	-116.131	-138.022	-283.5861	38	7	2	4805	10	21	18

Interface residues

• L-H: ALA130L, ALA133H, ALA144H, ALA145H, ALA176H, ALA193L, ALA34L, ALA51H, ALA64H, ALA98H, ARG142L, ARG40H, ARG60H, ARG99H, ASN137L, ASN138L, ASN210L, ASN44L, ASN62H, ASN92L, ASP105H, ASP109H, ASP122L, ASP152H, ASP167L, ASP170L, ASP1L, CYS134L, CYS148H, CYS194L, CYS88L, CYS97H, GLN113H, GLN124L, GLN160L, GLN166L, GLN179H, GLN37L, GLN41H, GLN55L, GLN89L, GLN90L, GLU123L, GLU161L, GLU165L, GLU213L, GLU38L, GLU48H, GLU6H, GLU93L, GLY100L, GLY101H, GLY101L, GLY112H, GLY114H, GLY141H, GLY147H, GLY157L, GLY170H, GLY182H, GLY212L, GLY41L, GLY44H, GLY46H, GLY99L, HIS172H, HIS52H, HIS91L, ILE117L, ILE39H, ILE48L, ILE58L, LEU125L, LEU132H, LEU135L, LEU136L, LEU146H, LEU149H, LEU175L, LEU178H, LEU179L, LEU181L, LEU183H, LEU186H, LEU33L, LEU46L, LEU47H, LEU47L, LEU4H, LEU50H, LEU65H, LYS126L, LYS137H, LYS151H, LYS169L, LYS207L, LYS217H, LYS222H, LYS39L, LYS42L, LYS45H, LYS45L, LYS59H, LYS5H, LYS66H, MET100H, MET85L, PHE108H, PHE116L, PHE118L, PHE130H, PHE139L, PHE174H, PHE209L, PHE87L, PHE98L, PRO113L, PRO119L, PRO120L, PRO131H, PRO134H, PRO175H, PRO40L, PRO63H, PRO95L, SER102H, SER114L, SER121L, SER127L, SER128H, SER131L, SER135H, SER136H, SER138H, SER140H, SER159L, SER162L, SER168L, SER169H, SER174L, SER176L, SER177L, SER180H, SER181H, SER185H, SER187H, SER188H, SER194H, SER208L, SER223H, SER50L, SER56L, THR129L, THR139H, THR143H, THR164L, THR168H, THR172L, THR173H, THR178L, THR180L, THR191H, THR206L, THR3H, THR43L, THR53L, THR94H, THR97L, TRP107H, TRP111H, TRP35L, TRP38H, TRP49H, TRP54H, TYR104H, TYR110H, TYR173L, TYR184H, TYR186L, TYR192L, TYR32L, TYR36L, TYR49L, TYR61H, TYR94L, TYR96H, TYR96L, VAL106H, VAL115L, VAL129H, VAL132L, VAL133L, VAL150H, VAL163L, VAL171H, VAL177H, VAL189H, VAL190H, VAL192H, VAL205L, VAL215H, VAL219H, VAL2H
• L-I: ARG108I, ARG11I, ASN92L, GLN90L, GLU109I, GLU12I, GLU15I, GLU93L, GLY110I, HIS91L, ILE29L, LEU33L, LYS31L, PHE107I, SER28L, SER30L, SER50L, SER7I, THR8I, TYR32L, TYR49L, TYR94L, TYR96L
• L-A: ALA130A, ALA184A, ARG61L, ASP185A, GLU17L, GLU79L, GLY128A, GLY16L, LEU181A, LEU78L, LYS126A, LYS183A, LYS188A, PRO15L, SER127A, SER14L, SER182A, SER60L, SER76L, SER77L, THR129A, THR18L, TYR186A
• L-B: LEU183B, LYS125B, SER60L
• H-I: ARG108I, ARG11I, ARG60H, ASP103H, ASP105H, ASP56H, ASP57H, GLU109I, GLU12I, GLU15I, GLY110I, GLY33H, GLY35H, HIS52H, ILE14I, ILE53H, LEU100I, LEU101I, LEU103I, LEU106I, LEU10I, LYS104I, LYS105I, LYS59H, MET100H, MET34H, PHE107I, SER102H, TRP107H, TRP54H, TRP55H, TYR104H, TYR32H, VAL106H, VAL18I, VAL58H
• I-B: ALA121B, ALA26I, ALA59I, ALA85B, ARG68B, ASN19I, ASN30I, CYS57I, GLN13B, GLN16B, GLN22I, GLY56I, ILE20I, ILE60I, LEU12B, LEU28I, PRO14B, PRO27I, SER15B, SER58I, SER86B, THR17B
• A-B: ALA130A, ALA133B, ALA144B, ALA145B, ALA176B, ALA34A, ALA51B, ALA64B, ALA98B, ARG142A, ARG211A, ARG40B, ARG60B, ARG99B, ASN137A, ASN138A, ASN210A, ASN44A, ASN62B, ASN92A, ASP105B, ASP109B, ASP122A, ASP152B, ASP167A, ASP170A, ASP1A, CYS134A, CYS148B, CYS88A, CYS97B, GLN113B, GLN124A, GLN160A, GLN166A, GLN179B, GLN1B, GLN37A, GLN41B, GLN55A, GLN89A, GLN90A, GLU123A, GLU161A, GLU165A, GLU213A, GLU38A, GLU48B, GLU6B, GLU93A, GLY100A, GLY101A, GLY101B, GLY112B, GLY114B, GLY141B, GLY147B, GLY170B, GLY212A, GLY41A, GLY44B, GLY46B, GLY57A, GLY99A, HIS172B, HIS52B, HIS91A, ILE117A, ILE39B, ILE48A, ILE58A, LEU125A, LEU132B, LEU135A, LEU136A, LEU146B, LEU149B, LEU175A, LEU178B, LEU179A, LEU181A, LEU183B, LEU186B, LEU33A, LEU46A, LEU47A, LEU47B, LEU4B, LEU50B, LEU65B, LYS126A, LYS137B, LYS151B, LYS169A, LYS207A, LYS217B, LYS31A, LYS39A, LYS42A, LYS45A, LYS45B, LYS5B, MET100B, MET85A, PHE108B, PHE116A, PHE118A, PHE130B, PHE139A, PHE174B, PHE209A, PHE87A, PHE98A, PRO113A, PRO119A, PRO120A, PRO131B, PRO134B, PRO175B, PRO40A, PRO63B, PRO95A, SER102B, SER114A, SER121A, SER127A, SER128B, SER131A, SER135B, SER136B, SER138B, SER140B, SER159A, SER162A, SER168A, SER169B, SER174A, SER176A, SER177A, SER180B, SER181B, SER185B, SER187B, SER188B, SER194B, SER208A, SER50A, SER56A, THR129A, THR139B, THR143B, THR164A, THR168B, THR172A, THR173B, THR178A, THR180A, THR191B, THR3B, THR43A, THR53A, THR97A, TRP107B, TRP111B, TRP35A, TRP38B, TRP49B, TRP54B, TYR104B, TYR110B, TYR173A, TYR184B, TYR192A, TYR32A, TYR36A, TYR49A, TYR61B, TYR94A, TYR96A, TYR96B, VAL106B, VAL115A, VAL129B, VAL132A, VAL133A, VAL150B, VAL163A, VAL171B, VAL177B, VAL189B, VAL190B, VAL192B, VAL205A, VAL215B, VAL219B, VAL2B
• A-J: ARG108J, ARG11J, ASN19J, ASN92A, GLU109J, GLU12J, GLU15J, GLU93A, GLY110J, HIS91A, ILE29A, LEU10J, LEU33A, LYS31A, PHE107J, SER28A, SER30A, SER50A, SER7J, THR8J, TYR32A, TYR49A, TYR94A, TYR96A
• B-J: ARG108J, ARG11J, ARG60B, ASP103B, ASP105B, ASP56B, ASP57B, GLN22J, GLU109J, GLU12J, GLU15J, GLY110J, GLY33B, GLY35B, HIS52B, ILE14J, ILE53B, LEU100J, LEU101J, LEU103J, LEU106J, LEU10J, LYS104J, LYS105J, LYS59B, MET100B, MET34B, PHE107J, SER102B, TRP107B, TRP54B, TRP55B, TYR104B, TYR32B, TYR61B, VAL106B, VAL18J, VAL58B