Analysis, comparison, visualization of contact residues & interfacial waters of antibody-antigen structures/models

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Structure 4ypg: Structural Insights Into the Neutralization Properties of a Human Anti-Interferon Monoclonal Antibody
Heavy chain: blue color; Antigen: salmon color; Contact residues: shown in sticks


Number of contact residues of heavy chain = 19
Contact residues of heavy chain have 7 Hbonds, 61 hydrophobic, 78 vdW, 0 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 H 30
CDR-H1
Coil
Exposed
0
0
0
0
0
2
SER H 31
CDR-H1
Coil
Exposed
1
0
2
0
0
3
TYR H 32
CDR-H1
Strand
Exposed
1
6
12
0
0
4
SER H 33
Framework
Strand
Intermediate
1
0
3
0
0
5
TRP H 47
Framework
Strand
Exposed
0
4
2
0
0
6
TRP H 50
Framework
Strand
Exposed
0
20
6
0
0
7
SER H 52
CDR-H2
Strand
Intermediate
1
0
4
0
0
8
TYR H 54
CDR-H2
Coil
Exposed
0
5
6
0
0
9
ASN H 55
CDR-H2
Coil
Exposed
1
0
11
0
0
10
ASN H 57
CDR-H2
Strand
Exposed
2
0
8
0
0
11
THR H 58
Framework
Strand
Intermediate
0
0
0
0
0
12
ASN H 59
Framework
Strand
Exposed
0
1
2
0
0
13
ARG H 98
Framework
Strand
Buried
0
0
0
0
0
14
ASP H 99
CDR-H3
Strand
Exposed
0
1
1
0
0
15
PRO H 100
CDR-H3
Coil
Exposed
0
12
12
0
0
16
ILE H 101
CDR-H3
Coil
Exposed
0
0
1
0
0
17
ALA H 102
CDR-H3
Coil
Exposed
0
5
2
0
0
18
ALA H 103
CDR-H3
Coil
Intermediate
0
5
6
0
0
19
TYR H 105
CDR-H3
Coil
Exposed
0
2
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 antigen = 14
Contact residues of antigen have 7 Hbonds, 61 hydrophobic, 78 vdW, 0 ionic interactions with antibody, and 0 Hbonds with interfacial waters
No.
Contact Residues of Antigen
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
THR D -1
Coil
Exposed
2
5
11
0
0
2
SER D 0
Coil
Exposed
1
0
16
0
0
3
ASP D 2
Coil
Exposed
1
0
1
0
0
4
GLN D 61
Helix
Exposed
0
1
0
0
0
5
PHE D 64
Helix
Intermediate
0
2
2
0
0
6
THR D 86
Helix
Exposed
1
0
3
0
0
7
TYR D 89
Helix
Exposed
0
15
14
0
0
8
GLN D 90
Helix
Exposed
1
1
4
0
0
9
LEU D 92
Helix
Intermediate
0
7
2
0
0
10
ASN D 93
Helix
Exposed
1
5
11
0
0
11
GLU D 96
Helix
Exposed
0
0
3
0
0
12
ALA D 97
Helix
Intermediate
0
2
2
0
0
13
ILE D 100
Helix
Exposed
0
20
7
0
0
14
GLN D 101
Helix
Exposed
0
3
2
0
0
Interactions of contact residues of antigen Structure of contact residues of antigen Detailed contact residues of antigen


Number of interfacial waters = 0