2AP2

single chain fv of c219 in complex with synthetic epitope peptide

• Total interactions analyzed: 28
• Total true interactions: 8
• Strongest Interaction:
  • Chains: D-Q
  • Int. Res.: 42
  • Norm. En. per Res.: -3.8954
• Hub Node: A(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
A-B	-27.8161	-27.4135	-283.942	-339.1716	97	11	3	10479	2	13	8
A-P	-6.8722	0.0	-63.0783	-69.9505	24	4	4	2295	0	2	2
B-E	-16.7904	0.0	31.0466	14.2562	7	10	0	147	0	0	0
B-P	0.0	0.0	-41.2284	-41.2284	31	4	3	2690	0	11	12
C-D	-31.5606	-33.1237	-270.572	-335.2563	93	13	3	10105	2	12	9
C-Q	0.0	0.0	-55.3531	-55.3531	25	6	4	2311	0	2	2
D-F	0.0	-8.3984	39.811	31.4126	8	10	0	272	0	1	0
D-Q	-17.3484	-45.6922	-100.567	-163.6077	42	4	3	4295	4	18	15

Interface residues

• A-B: ALA106A, ALA113B, ALA57A, ALA61B, ALA97B, ARG0A, ARG40B, ARG50B, ARG98B, ARG99B, ASN31A, ASN34A, ASN37A, ASN57B, ASN96A, ASP109B, ASP1A, ASP97A, CYS94A, CYS96B, GLN39B, GLN43A, GLN43B, GLN44A, GLN48A, GLN6A, GLN6B, GLN95A, GLU42B, GLU46B, GLU61A, GLY105A, GLY107A, GLY112B, GLY114B, GLY33A, GLY44B, GLY47A, GLY49B, HIS35B, ILE48B, ILE54A, LEU102A, LEU108B, LEU39A, LEU45B, LEU4B, LEU52A, LEU53A, LYS109A, LYS36A, LYS38B, LYS45A, LYS51A, LYS59B, LYS63B, PHE-2A, PHE104A, PHE33B, PHE64B, PRO101A, PRO107B, PRO46A, PRO49A, PRO50A, PRO62B, SER103B, SER106B, SER99A, SER9A, THR103A, THR108A, THR40A, THR59A, TRP111B, TRP36B, TRP41A, TRP47B, TRP56A, TYR100A, TYR104B, TYR105B, TYR38A, TYR42A, TYR55A, TYR60B, TYR92A, TYR93A, TYR94B, TYR95B, TYR98A, VAL-1A, VAL110B, VAL37B, VAL3A, VAL91A, VAL93B
• A-P: ALA5P, ASN31A, ASN34A, ASN96A, ASP7P, ASP97A, GLN3P, GLN95A, GLU4P, GLY33A, ILE2A, LEU102A, LEU6P, LYS36A, PRO101A, SER99A, THR103A, TRP56A, TYR100A, TYR38A, TYR98A, VAL-1A, VAL1P, VAL2P
• B-E: ARG13B, GLU124E, GLY122B, PRO120B, PRO14B, SER121B, SER123E
• B-P: ALA54B, ALA5P, ALA9P, ARG10P, ARG50B, ARG99B, ASN55B, ASN57B, ASP32B, ASP52B, ASP7P, GLN3P, GLU100B, GLU11P, GLU4P, HIS35B, LEU108B, LEU6P, LYS59B, LYS8P, PHE33B, PRO107B, SER103B, SER106B, TRP47B, TYR102B, TYR104B, TYR105B, VAL101B, VAL1P, VAL2P
• C-D: ALA106C, ALA113D, ALA57C, ALA61D, ALA97D, ARG40D, ARG50D, ARG98D, ARG99D, ASN31C, ASN34C, ASN37C, ASN96C, ASP109D, ASP1C, ASP97C, CYS94C, CYS96D, GLN35C, GLN39D, GLN43C, GLN43D, GLN44C, GLN48C, GLN6C, GLN6D, GLN95C, GLU42D, GLU46D, GLU61C, GLY105C, GLY107C, GLY112D, GLY114D, GLY33C, GLY44D, GLY47C, GLY49D, HIS35D, ILE48D, ILE54C, LEU102C, LEU108D, LEU39C, LEU45D, LEU4D, LEU52C, LEU53C, LYS109C, LYS36C, LYS38D, LYS45C, LYS51C, LYS59D, LYS63D, PHE104C, PHE33D, PHE64D, PRO101C, PRO107D, PRO46C, PRO49C, PRO50C, PRO62D, SER106D, SER99C, SER9C, THR103C, THR108C, THR40C, THR59C, TRP111D, TRP36D, TRP41C, TRP47D, TRP56C, TYR100C, TYR104D, TYR105D, TYR38C, TYR42C, TYR55C, TYR60D, TYR92C, TYR93C, TYR95D, TYR98C, VAL-1C, VAL101D, VAL110D, VAL37D, VAL91C, VAL93D
• C-Q: ALA5Q, ALA9Q, ASN31C, ASN34C, ASN96C, ASP7Q, ASP97C, GLN3Q, GLN95C, GLU4Q, GLY33C, ILE2C, LEU102C, LEU6Q, LYS36C, PRO101C, SER99C, THR103C, TRP56C, TYR100C, TYR38C, TYR98C, VAL-1C, VAL1Q, VAL2Q
• D-F: ARG13D, GLN125F, GLU124F, GLY122D, PRO120D, PRO14D, SER121D, SER123F
• D-Q: ALA54D, ALA5Q, ALA9Q, ARG10Q, ARG13Q, ARG50D, ARG99D, ASN28D, ASN55D, ASN57D, ASP31D, ASP32D, ASP52D, ASP56D, ASP7Q, GLN3Q, GLU100D, GLU11Q, GLY12Q, HIS35D, ILE29D, ILE51D, LEU108D, LEU6Q, LYS30D, LYS59D, LYS8Q, MET34D, PHE33D, PRO107D, PRO53D, SER103D, SER106D, THR14Q, THR74D, TRP47D, TYR102D, TYR104D, TYR105D, VAL101D, VAL1Q, VAL2Q