AppA Server

Structure 1s78: Insights into ErbB signaling from the structure of the ErbB2-pertuzumab complex

Heavy chain: blue color; Light chain: violet color; Antigen: salmon color; Contact residues: shown in sticks

Number of contact residues of heavy chain = 27

Contact residues of heavy chain have 11 Hbonds, 64 hydrophobic, 121 vdW, 2 ionic interactions with antigen, and 0 Hbonds with interfacial waters

No.	Contact Residues of Heavy Chain	Region Chothia	Secondary Structure	Solvent Accessibility	Number of Hbonds with Antigen	Number of Hydrophobic Interactions	Number of VdW Interactions	Number of Ionic Interactions	Number of Hbonds with Interfacial Waters
1	THR F 28	CDR-H1	Coil	Exposed	0	1	0	0	0
2	THR F 30	CDR-H1	Coil	Intermediate	1	0	2	0	0
3	ASP F 31	CDR-H1	Coil	Exposed	2	3	11	0	0
4	TYR F 32	CDR-H1	Coil	Intermediate	1	6	12	0	0
5	THR F 33	Framework	Strand	Intermediate	0	3	1	0	0
6	ASN F 52	CDR-H2	Strand	Exposed	1	0	5	0	0
7	PRO F 52A	CDR-H2	Strand	Buried	0	0	0	0	0
8	ASN F 53	CDR-H2	Coil	Exposed	3	1	15	0	0
9	SER F 54	CDR-H2	Coil	Exposed	0	0	9	0	0
10	GLY F 55	CDR-H2	Strand	Exposed	0	0	5	0	0
11	SER F 57	Framework	Strand	Intermediate	0	0	1	0	0
12	ILE F 58	Framework	Strand	Exposed	0	23	12	0	0
13	TYR F 59	Framework	Strand	Exposed	0	11	6	0	0
14	GLN F 61	Framework	Coil	Exposed	1	0	7	0	0
15	LYS F 64	Framework	Coil	Exposed	0	0	3	2	0
16	VAL F 71	Framework	Strand	Intermediate	0	0	1	0	0
17	ARG F 73	Framework	Coil	Exposed	0	0	5	0	0
18	SER F 74	Framework	Coil	Exposed	0	0	1	0	0
19	LYS F 75	Framework	Coil	Exposed	1	0	1	0	0
20	ARG F 94	Framework	Strand	Buried	0	0	1	0	0
21	LEU F 96	CDR-H3	Strand	Intermediate	0	10	7	0	0
22	GLY F 97	CDR-H3	Coil	Exposed	0	0	1	0	0
23	PRO F 98	CDR-H3	Coil	Exposed	0	6	9	0	0
24	SER F 99	CDR-H3	Coil	Exposed	0	0	0	0	0
25	TYR F 99B	CDR-H3	Strand	Exposed	1	0	5	0	0
26	ASP F 101	CDR-H3	Strand	Exposed	0	0	1	0	0
27	TYR F 102	CDR-H3	Coil	Exposed	0	0	0	0	0


Interactions of contact residues of heavy chain		Structure of contact residues of heavy chain		Detailed contact residues of heavy chain

Number of contact residues of light chain = 7

Contact residues of light chain have 0 Hbonds, 22 hydrophobic, 24 vdW, 0 ionic interactions with antigen, and 0 Hbonds with interfacial waters

No.	Contact Residues of Light Chain	Region Chothia	Secondary Structure	Solvent Accessibility	Number of Hbonds with Antigen	Number of Hydrophobic Interactions	Number of VdW Interactions	Number of Ionic Interactions	Number of Hbonds with Interfacial Waters
1	LEU E 46	Framework	Strand	Intermediate	0	0	0	0	0
2	TYR E 49	Framework	Coil	Exposed	0	0	8	0	0
3	SER E 50	CDR-L2	Coil	Intermediate	0	0	0	0	0
4	TYR E 53	CDR-L2	Coil	Exposed	0	7	11	0	0
5	TYR E 55	CDR-L2	Coil	Exposed	0	1	1	0	0
6	THR E 56	CDR-L2	Coil	Exposed	0	0	0	0	0
7	TYR E 94	CDR-L3	Coil	Exposed	0	14	4	0	0


Interactions of contact residues of light chain		Structure of contact residues of light chain		Detailed contact residues of light chain

Number of contact residues of antigen = 29

Contact residues of antigen have 11 Hbonds, 86 hydrophobic, 145 vdW, 2 ionic interactions with antibody, and 0 Hbonds with interfacial waters

No.	Contact Residues of Antigen	Interact with Antibody Chain	Secondary Structure	Solvent Accessibility	Number of Hbonds with Antibody	Number of Hydrophobic Interactions	Number of VdW Interactions	Number of Ionic Interactions	Number of Hbonds with Interfacial Waters
1	LYS B 128	Heavy	Coil	Exposed	0	0	1	0	0
2	GLN B 156	Heavy	Coil	Exposed	1	0	1	0	0
3	PHE B 236	Heavy	Coil	Intermediate	0	0	5	0	0
4	LEU B 244	Heavy	Strand	Exposed	0	0	0	0	0
5	HIS B 245	Heavy	Coil	Exposed	0	0	13	0	0
6	CYS B 246	Heavy	Coil	Buried	1	0	3	0	0
7	ALA B 248	Heavy	Coil	Exposed	0	0	2	0	0
8	TYR B 252	Heavy	Strand	Exposed	0	7	4	0	0
9	THR B 254	Heavy	Strand	Exposed	1	0	6	0	0
10	ASP B 255	Heavy & Light	Coil	Exposed	0	0	2	2	0
11	THR B 256	Light	Coil	Exposed	0	0	1	0	0
12	PHE B 257	Heavy & Light	Strand	Exposed	0	41	20	0	0
13	THR B 268	Heavy	Coil	Intermediate	1	1	4	0	0
14	GLY B 270	Heavy	Coil	Intermediate	0	0	0	0	0
15	THR B 284	Heavy	Coil	Buried	0	0	0	0	0
16	ASP B 285	Heavy	Coil	Exposed	0	1	1	0	0
17	VAL B 286	Heavy	Coil	Exposed	2	6	14	0	0
18	GLY B 287	Heavy	Strand	Intermediate	0	0	3	0	0
19	SER B 288	Heavy	Strand	Exposed	2	0	4	0	0
20	THR B 290	Heavy	Strand	Exposed	1	2	4	0	0
21	VAL B 292	Heavy	Coil	Exposed	0	0	0	0	0
22	PRO B 294	Heavy	Coil	Exposed	0	7	11	0	0
23	LEU B 295	Heavy & Light	Coil	Exposed	1	8	8	0	0
24	HIS B 296	Heavy & Light	Coil	Exposed	1	4	18	0	0
25	ASN B 297	Heavy	Strand	Intermediate	0	0	0	0	0
26	LYS B 311	Heavy	Strand	Exposed	0	2	6	0	0
27	SER B 313	Light	Coil	Exposed	0	0	0	0	0
28	LYS B 314	Light	Coil	Exposed	0	1	1	0	0
29	PRO B 315	Light	Coil	Exposed	0	6	13	0	0


Interactions of contact residues of antigen		Structure of contact residues of antigen		Detailed contact residues of antigen

Number of interfacial waters = 0