1ZA6

the structure of an antitumor ch2-domain-deleted humanized antibody

• Total interactions analyzed: 28
• Total true interactions: 18
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 56
  • Norm. En. per Res.: -3.2401
• Hub Node: A(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
A-B	-17.776	-15.9297	305.162	271.4563	199	31	10	17406	1	21	15
A-D	-51.4663	0.0	-129.977	-181.4434	56	18	2	5681	0	6	11
A-G	0.0	0.0	-0.0292	-0.0292	2	0	0	13	0	0	0
A-H	-9.1947	-5.3244	-76.8424	-91.3616	35	4	0	2857	0	3	0
B-C	-14.2755	-0.6947	-7.6076	-22.5778	16	2	0	684	0	7	7
B-D	-15.5073	-67.2988	-325.039	-407.8451	129	19	2	13908	7	22	27
B-G	-11.8214	-10.5632	-76.3228	-98.7073	37	2	0	2845	2	3	1
B-H	0.0	13.4726	-14.4031	-0.9305	30	3	0	976	0	12	6
C-D	-16.4236	-9.3193	296.635	270.8921	186	21	11	17102	0	24	18
C-E	0.0	0.0	-0.0279	-0.0279	2	0	0	13	0	0	0
C-F	-7.4472	-5.6378	-72.1144	-85.1994	38	2	0	2818	0	3	1
D-E	-14.5094	-5.5577	-80.022	-100.0891	35	5	0	2917	0	3	0
D-F	0.0	11.1754	-15.6669	-4.4915	30	1	0	947	0	12	6
E-F	-18.7333	-18.6743	294.26	256.8524	190	35	10	18222	1	22	16
E-H	-32.4331	0.0	-116.263	-148.6961	57	14	2	5705	0	7	11
F-G	0.0	0.0435	-13.2672	-13.2237	16	1	0	753	0	6	7
F-H	-38.9103	-57.0395	-327.548	-423.4977	138	31	2	13798	4	22	27
G-H	-7.5308	-13.0787	355.084	334.4745	188	46	11	17263	1	23	14

Interface residues

• A-B: ALA103B, ALA106A, ALA127B, ALA136A, ALA138B, ALA139B, ALA170B, ALA33B, ALA40A, ARG148A, ARG44B, ARG63B, ARG98B, ASN101B, ASN143A, ASN144A, ASN164A, ASN40B, ASN61B, ASP128A, ASP146B, ASP173A, ASP176A, ASP1A, ASP1A5, ASP57B, CB9.0764919.62234, CB9.24828-15.48924, CYS140A, CYS142B, CYS218B, CYS220A, CYS94A, CYS96B, GLN107B, GLN130A, GLN166A, GLN172A, GLN173B, GLN39B, GLN43B, GLN44A, GLN48A, GLN6A, GLN6B, GLN95A, GLN96A, GLU129A, GLU167A, GLU171A, GLU214B, GLU219A, GLU46B, GLU61A, GLU62B, GLY105A, GLY106B, GLY107A, GLY108B, GLY134A, GLY141B, GLY163A, GLY164B, GLY176B, GLY218A, GLY42B, GLY47A, GLY49B, HIS166B, HIS35B, ILE123A, ILE2A, ILE48B, ILE54A, LEU100B, LEU102A, LEU126B, LEU131A, LEU140B, LEU141A, LEU142A, LEU143B, LEU172B, LEU177B, LEU180B, LEU181A, LEU185A, LEU187A, LEU45B, LEU4B, LEU52A, LEU53A, LYS132A, LYS145B, LYS175A, LYS211B, LYS212B, LYS213A, LYS216B, LYS336B, LYS38B, LYS45A, LYS51A, LYS59B, MET102B, MET4A, PHE104A, PHE122A, PHE124A, PHE124B, PHE145A, PHE168B, PHE215A, PHE58B, PHE64B, PHE95B, PRO101A, PRO125A, PRO125B, PRO126A, PRO128B, PRO169B, PRO46A, PRO50A, SER120A, SER122B, SER127A, SER129B, SER130B, SER133A, SER134B, SER137A, SER163B, SER165A, SER168A, SER174A, SER174B, SER175B, SER179B, SER180A, SER181B, SER182A, SER182B, SER183A, SER208A, SER209A, SER217B, SER49A, SER52B, SER5A, SER62A, SER99A, SER99B, THR103A, THR133B, THR135A, THR137B, THR162B, THR167B, THR170A, THR178A, THR184A, THR185B, THR186A, THR97B, TRP105B, TRP36B, TRP47B, TRP56A, TYR100A, TYR104B, TYR178B, TYR179A, TYR192A, TYR246B, TYR38A, TYR42A, TYR50B, TYR55A, TYR60B, TYR93A, TYR97A, TYR98A, VAL121A, VAL123B, VAL138A, VAL139A, VAL144B, VAL165B, VAL169A, VAL171B, VAL183B, VAL184B, VAL186B, VAL213B, VAL37B, VAL3A, VAL91A, VAL93B
• A-D: ALA117A, ALA118A, ARG114A, ARG252D, ARG313D, ASN143A, ASN144A, ASN258D, ASN318D, ASP176A, ASP253D, ASP310D, GLN205A, GLN259D, GLN315D, GLN316D, GLU254D, GLY206A, GLY317D, GLY343D, HIS204A, ILE123A, LEU141A, LEU142A, LEU207A, LEU255D, LEU340D, LYS113A, LYS175A, LYS213A, LYS257D, LYS311D, LYS344D, PHE122A, PHE145A, PRO119A, PRO210A, PRO342D, SER120A, SER14A, SER208A, SER209A, SER251D, SER312D, SER341D, THR115A, THR178A, THR212A, THR256D, TRP314D, TYR146A, VAL116A, VAL121A, VAL202A, VAL211A, VAL260D
• A-G: TYR100A, TYR100G
• A-H: ALA68H, ALA72H, ASN34A, ASN55H, ASP56H, ASP57H, GLN35A, GLU82H, GLY33A, GLY54H, LEU102A, LEU29A, LEU30A, LEU70H, LYS19H, LYS36A, LYS59H, LYS65H, PHE51H, PHE58H, SER28A, SER32A, SER52H, SER99A, THR69H, THR71H, TRP56A, TYR100A, TYR31A, TYR38A, TYR50H, TYR55A, TYR60H, TYR97A, TYR98A
• B-C: ALA190C, ASN258B, ASP310B, GLN130C, GLN259B, GLU129C, GLY134C, LEU131C, LYS132C, LYS189C, LYS257B, LYS311B, SER133C, SER312B, THR135C, THR256B
• B-D: ALA138B, ALA139B, ARG252B, ARG252D, ARG313D, ASN258B, ASN258D, ASN286B, ASN287B, ASN287D, ASP253B, ASP253D, ASP296B, ASP296D, ASP298B, ASP298D, ASP310D, CYS264B, CYS264D, GLN244B, GLN244D, GLN259B, GLN259D, GLU242D, GLU254B, GLU254D, GLY135B, GLY136B, GLY268B, GLY268D, GLY299B, GLY299D, GLY343B, GLY343D, HIS166B, LEU248B, LEU248D, LEU255B, LEU255D, LEU262B, LEU262D, LEU265B, LEU265D, LEU295B, LEU295D, LEU303B, LEU303D, LEU307B, LEU307D, LEU338B, LEU338D, LYS257B, LYS257D, LYS267B, LYS267D, LYS289B, LYS289D, LYS306B, LYS306D, LYS311D, LYS336B, LYS336D, LYS344B, LYS344D, PHE301B, PHE301D, PHE302B, PHE302D, PRO187B, PRO249B, PRO249D, PRO250B, PRO250D, PRO292B, PRO292D, PRO293B, PRO293D, SER129B, SER132B, SER134B, SER188B, SER251B, SER251D, SER261B, SER261D, SER297B, SER297D, SER300B, SER300D, SER305B, SER305D, SER312D, SER337B, SER337D, SER341D, THR133B, THR137B, THR185B, THR247B, THR247D, THR256B, THR256D, THR263B, THR263D, THR290B, THR290D, THR291B, THR291D, THR308B, THR308D, TRP278B, TRP278D, TYR246B, TYR246D, TYR288B, TYR288D, TYR304B, TYR304D, VAL186B, VAL245B, VAL245D, VAL260B, VAL260D, VAL266B, VAL266D, VAL294B, VAL294D, VAL309B, VAL309D
• B-G: ALA68B, ALA72B, ASN34G, ASN55B, ASP56B, ASP57B, GLN27G, GLN35G, GLU82B, GLY33G, GLY54B, GLY66B, ILE2G, LEU102G, LEU29G, LEU30G, LEU70B, LYS36G, LYS59B, LYS65B, PHE51B, PHE58B, SER32G, SER99G, THR69B, THR71B, TRP56G, TYR100G, TYR31G, TYR38G, TYR50B, TYR55G, TYR60B, TYR80B, TYR97G, TYR98G, VAL81B
• B-H: ALA33B, ALA33H, ASN101B, ASN101H, ASN55B, ASN55H, ASP31B, ASP31H, ASP56B, ASP56H, ASP57B, ASP57H, HIS32B, HIS32H, HIS35B, HIS35H, LEU100B, LEU100H, LYS59B, LYS59H, PHE58B, PHE58H, SER52B, SER52H, SER99B, SER99H, TRP47B, TYR50B, TYR50H, TYR60B
• C-D: ALA103D, ALA106C, ALA127D, ALA136C, ALA138D, ALA139D, ALA170D, ALA33D, ALA40C, ALA59C, ARG148C, ARG44D, ARG63D, ARG98D, ASN101D, ASN143C, ASN144C, ASN216C, ASN61D, ASP128C, ASP146D, ASP173C, ASP176C, ASP1C, CYS140C, CYS142D, CYS218D, CYS220C, CYS94C, CYS96D, GLN107D, GLN130C, GLN166C, GLN172C, GLN173D, GLN244D, GLN39D, GLN43D, GLN44C, GLN48C, GLN6C, GLN6D, GLN95C, GLN96C, GLU129C, GLU167C, GLU171C, GLU214D, GLU219C, GLU46D, GLU61C, GLU62D, GLY105C, GLY106D, GLY107C, GLY108D, GLY135D, GLY141D, GLY164D, GLY176D, GLY218C, GLY42D, GLY47C, GLY49D, HIS166D, HIS35D, ILE123C, ILE48D, ILE54C, LEU100D, LEU102C, LEU126D, LEU131C, LEU140D, LEU141C, LEU142C, LEU143D, LEU172D, LEU177D, LEU180D, LEU181C, LEU185C, LEU187C, LEU45D, LEU4D, LEU52C, LEU53C, LYS109C, LYS132C, LYS145D, LYS175C, LYS211D, LYS213C, LYS216D, LYS38D, LYS45C, LYS51C, LYS59D, MET102D, PHE104C, PHE122C, PHE124C, PHE124D, PHE145C, PHE168D, PHE215C, PHE64D, PHE95D, PRO101C, PRO125C, PRO125D, PRO126C, PRO128D, PRO169D, PRO46C, PRO50C, SER120C, SER122D, SER127C, SER129D, SER130D, SER133C, SER134D, SER137C, SER163D, SER165C, SER168C, SER174C, SER174D, SER175D, SER179D, SER180C, SER181D, SER182C, SER182D, SER183C, SER214C, SER217D, SER49C, SER52D, SER62C, SER99C, SER99D, THR103C, THR133D, THR135C, THR137D, THR162D, THR167D, THR170C, THR178C, THR184C, THR185D, THR186C, THR97D, TRP105D, TRP36D, TRP47D, TRP56C, TYR100C, TYR104D, TYR178D, TYR179C, TYR38C, TYR42C, TYR50D, TYR55C, TYR60D, TYR93C, TYR97C, TYR98C, VAL121C, VAL123D, VAL138C, VAL139C, VAL144D, VAL165D, VAL169C, VAL171D, VAL183D, VAL184D, VAL186D, VAL213D, VAL37D, VAL91C, VAL93D
• C-E: TYR100C, TYR100E
• C-F: ALA68F, ALA72F, ASN34C, ASN55F, ASP56F, ASP57F, GLN27C, GLN35C, GLU62F, GLU82F, GLY33C, GLY54F, GLY66F, ILE2C, LEU102C, LEU29C, LEU30C, LEU70F, LYS19F, LYS36C, LYS59F, LYS65F, PHE51F, PHE58F, SER32C, SER52F, SER99C, THR69F, THR71F, TRP56C, TYR100C, TYR31C, TYR38C, TYR50F, TYR55C, TYR60F, TYR97C, TYR98C
• D-E: ALA68D, ALA72D, ASN34E, ASN55D, ASP56D, ASP57D, GLN35E, GLU82D, GLY33E, GLY54D, LEU102E, LEU29E, LEU30E, LEU70D, LYS19D, LYS36E, LYS59D, LYS65D, PHE51D, PHE58D, SER32E, SER99E, THR69D, THR71D, TRP56E, TYR100E, TYR31E, TYR38E, TYR50D, TYR55E, TYR60D, TYR80D, TYR97E, TYR98E, VAL81D
• D-F: ALA33D, ALA33F, ASN101D, ASN101F, ASN55D, ASN55F, ASP31D, ASP31F, ASP56D, ASP56F, ASP57D, ASP57F, HIS32D, HIS32F, HIS35D, HIS35F, LEU100D, LEU100F, LYS59D, LYS59F, PHE58D, PHE58F, SER52D, SER52F, SER99D, SER99F, TRP47F, TYR50D, TYR50F, TYR60F
• E-F: ALA103F, ALA106E, ALA127F, ALA136E, ALA138F, ALA139F, ALA170F, ALA33F, ALA40E, ALA59E, ARG148E, ARG44F, ARG63F, ASN101F, ASN143E, ASN144E, ASN164E, ASN40F, ASN61F, ASP128E, ASP146F, ASP173E, ASP176E, ASP1E, ASP57F, CYS140E, CYS142F, CYS218F, CYS220E, CYS94E, CYS96F, GLN107F, GLN130E, GLN166E, GLN173F, GLN39F, GLN43F, GLN44E, GLN48E, GLN6E, GLN6F, GLN95E, GLN96E, GLU129E, GLU167E, GLU171E, GLU214F, GLU219E, GLU46F, GLU61E, GLU62F, GLY105E, GLY106F, GLY107E, GLY108F, GLY134E, GLY141F, GLY163E, GLY164F, GLY176F, GLY218E, GLY42F, GLY47E, GLY49F, HIS166F, HIS35F, ILE123E, ILE2E, ILE48F, ILE54E, LEU100F, LEU102E, LEU126F, LEU131E, LEU140F, LEU141E, LEU142E, LEU143F, LEU172F, LEU177F, LEU180F, LEU181E, LEU185E, LEU187E, LEU45F, LEU4F, LEU52E, LEU53E, LYS131F, LYS132E, LYS145F, LYS175E, LYS211F, LYS212F, LYS216F, LYS336F, LYS38F, LYS45E, LYS51E, LYS59F, MET102F, MET4E, PHE104E, PHE122E, PHE124E, PHE124F, PHE145E, PHE168F, PHE64F, PHE95F, PRO101E, PRO125E, PRO125F, PRO126E, PRO128F, PRO169F, PRO215F, PRO41F, PRO46E, PRO50E, SER120E, SER122F, SER127E, SER129F, SER130F, SER133E, SER134F, SER137E, SER163F, SER165E, SER168E, SER174E, SER174F, SER175F, SER179F, SER180E, SER181F, SER182E, SER182F, SER183E, SER208E, SER209E, SER217F, SER49E, SER5E, SER62E, SER99E, SER99F, THR103E, THR135E, THR137F, THR167F, THR170E, THR178E, THR184E, THR185F, THR186E, THR97F, TRP105F, TRP36F, TRP47F, TRP56E, TYR100E, TYR104F, TYR178F, TYR179E, TYR246F, TYR38E, TYR42E, TYR50F, TYR55E, TYR60F, TYR93E, TYR97E, TYR98E, VAL121E, VAL123F, VAL138E, VAL139E, VAL165F, VAL169E, VAL171F, VAL183F, VAL184F, VAL186F, VAL213F, VAL37F, VAL3E, VAL91E, VAL93F
• E-H: ALA117E, ALA118E, ARG114E, ARG252H, ARG313H, ASN143E, ASN144E, ASN258H, ASP173E, ASP176E, ASP253H, ASP310H, GLN205E, GLN259H, GLN315H, GLN316H, GLU254H, GLY206E, GLY317H, GLY343H, HIS204E, LEU141E, LEU142E, LEU15E, LEU207E, LEU255H, LEU340H, LYS113E, LYS175E, LYS213E, LYS257H, LYS311H, LYS344H, PHE122E, PHE145E, PRO119E, PRO210E, PRO342H, SER120E, SER14E, SER177E, SER208E, SER209E, SER251H, SER312H, SER341H, THR115E, THR178E, THR212E, THR256H, TRP314H, TYR146E, VAL116E, VAL121E, VAL202E, VAL211E, VAL260H
• F-G: ALA190G, ASN258F, ASP310F, GLN259F, GLU193G, GLY134G, LEU131G, LYS132G, LYS189G, LYS257F, LYS311F, SER133G, SER188G, SER312F, THR135G, THR256F
• F-H: ALA138F, ALA139F, ARG241H, ARG252F, ARG252H, ARG313H, ASN258F, ASN258H, ASN286F, ASN286H, ASN287F, ASN287H, ASP253F, ASP253H, ASP296F, ASP296H, ASP298F, ASP298H, ASP310H, CYS264F, CYS264H, GLN244F, GLN244H, GLN259F, GLN259H, GLN316H, GLU242F, GLU242H, GLU254F, GLU254H, GLY135F, GLY136F, GLY164F, GLY268F, GLY268H, GLY299F, GLY299H, GLY343F, GLY343H, HIS166F, LEU248F, LEU248H, LEU255F, LEU255H, LEU262F, LEU262H, LEU265F, LEU265H, LEU295F, LEU295H, LEU303F, LEU303H, LEU307F, LEU307H, LEU338F, LEU338H, LEU340H, LYS257F, LYS257H, LYS267F, LYS267H, LYS289F, LYS289H, LYS306F, LYS306H, LYS311H, LYS336F, LYS336H, LYS344F, LYS344H, PHE301F, PHE301H, PHE302F, PHE302H, PRO187F, PRO243F, PRO249F, PRO249H, PRO250F, PRO250H, PRO292F, PRO292H, PRO293F, PRO293H, PRO342F, SER132F, SER134F, SER163F, SER188F, SER251F, SER251H, SER261F, SER261H, SER297F, SER297H, SER300F, SER300H, SER305F, SER305H, SER312H, SER337F, SER337H, SER339H, SER341F, SER341H, THR133F, THR137F, THR185F, THR247F, THR247H, THR256F, THR256H, THR263F, THR263H, THR290F, THR290H, THR291F, THR291H, THR308F, THR308H, TRP278F, TRP278H, TYR246F, TYR246H, TYR288F, TYR288H, TYR304F, TYR304H, VAL186F, VAL245F, VAL245H, VAL260F, VAL260H, VAL266F, VAL266H, VAL294F, VAL294H, VAL309H
• G-H: ALA103H, ALA106G, ALA127H, ALA136G, ALA138H, ALA139H, ALA170H, ALA33H, ALA40G, ARG148G, ARG217G, ARG44H, ARG63H, ASN101H, ASN143G, ASN144G, ASN164G, ASN216G, ASN40H, ASN61H, ASP128G, ASP146H, ASP173G, ASP176G, ASP1G, CYS140G, CYS142H, CYS218H, CYS220G, CYS94G, CYS96H, GLN107H, GLN130G, GLN166G, GLN172G, GLN173H, GLN39H, GLN3H, GLN43H, GLN44G, GLN48G, GLN6G, GLN6H, GLN95G, GLN96G, GLU129G, GLU167G, GLU171G, GLU214H, GLU219G, GLU46H, GLU61G, GLU62H, GLY105G, GLY106H, GLY107G, GLY108H, GLY134G, GLY135H, GLY141H, GLY164H, GLY218G, GLY42H, GLY47G, GLY49H, HIS166H, HIS35H, ILE123G, ILE48H, LEU100H, LEU102G, LEU126H, LEU131G, LEU140H, LEU141G, LEU142G, LEU143H, LEU172H, LEU177H, LEU180H, LEU181G, LEU185G, LEU187G, LEU191H, LEU45H, LEU4H, LEU52G, LEU53G, LYS132G, LYS145H, LYS175G, LYS211H, LYS212H, LYS213G, LYS216H, LYS38H, LYS45G, LYS51G, LYS59H, LYS65H, MET102H, PHE104G, PHE122G, PHE124G, PHE124H, PHE145G, PHE168H, PHE215G, PHE64H, PHE95H, PRO101G, PRO125G, PRO125H, PRO126G, PRO128H, PRO169H, PRO46G, PRO50G, SER120G, SER122H, SER127G, SER129H, SER130H, SER133G, SER134H, SER137G, SER163H, SER165G, SER168G, SER174G, SER174H, SER175H, SER179H, SER180G, SER181H, SER182G, SER182H, SER183G, SER188H, SER214G, SER217H, SER49G, SER62G, SER99G, SER99H, THR103G, THR133H, THR135G, THR137H, THR162H, THR167H, THR170G, THR178G, THR184G, THR185H, THR186G, THR97H, TRP105H, TRP156H, TRP36H, TRP47H, TRP56G, TYR100G, TYR104H, TYR179G, TYR38G, TYR42G, TYR50H, TYR55G, TYR60H, TYR93G, TYR97G, TYR98G, VAL121G, VAL123H, VAL138G, VAL139G, VAL144H, VAL165H, VAL169G, VAL171H, VAL183H, VAL184H, VAL186H, VAL213H, VAL37H, VAL91G, VAL93H