Omalizumab / 7shz

A4DAB191_7shz_C_D | Source PDB: 7shz | Chains: C, D | Done
96.12
Yes
10 Å
Yes
Avg A4D Score
-0.6717
Max Score
1.6042
Min Score
-2.936
Total Score
-155.83
Score CDR
-0.6299
Score non-CDR
-0.6837

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASIKYSGETKYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSDIQLTQSPSSLSASVGDRVTITCRASKPVDGEGDSYLNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIK input.pdb
Selected Chain(s) C (Heavy), D (Light)
Distance of Aggregation 10 Å
FoldX Energy Minimization Yes
pH Calculations Yes
Downloads Download all data (.tar.gz)

Aggrescan4D Profile

Aggregation-prone (score > 0)
Soluble (score < 0)
Buried (score = 0)

Per-Residue A4D Scores

Download CSV
Minimum Score -2.936
Maximum Score 1.6042
Average Score -0.6717
Total Score -155.8319

Residues with A4D score > 0.0 are highlighted as aggregation-prone.

Index Residue Chain A4D Score Classification
1 E C -2.1059 Soluble
2 V C 0.0000 Buried
3 Q C -1.4858 Soluble
4 L C 0.0000 Buried
5 V C 0.6289 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.3711 Soluble
8 G C -0.7999 Soluble
9 G C -0.0745 Soluble
11 G C 0.6003 Aggregation-prone
12 L C 1.3495 Aggregation-prone
13 V C -0.1097 Soluble
14 Q C -1.3340 Soluble
15 P C -1.4495 Soluble
16 G C -1.5663 Soluble
17 G C -1.2674 Soluble
18 S C -1.4654 Soluble
19 L C 0.0000 Buried
20 R C -2.2233 Soluble
21 L C 0.0000 Buried
22 S C -0.5646 Soluble
23 C C 0.0000 Buried
24 A C -0.2384 Soluble
25 V C 0.0000 Buried
26 S C -0.9456 Soluble
27 G C -1.1012 Soluble
28 Y C -0.2774 Soluble
29 S C -0.4633 Soluble
30 I C 0.0000 Buried
31 T C -0.5492 Soluble
35 S C -0.0525 Soluble
36 G C 0.0208 Aggregation-prone
37 Y C 0.0936 Aggregation-prone
38 S C 0.0000 Buried
39 W C 0.0000 Buried
40 N C 0.0000 Buried
41 W C 0.0000 Buried
42 I C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.6188 Soluble
45 A C -1.1313 Soluble
46 P C -1.2597 Soluble
47 G C -1.5638 Soluble
48 K C -2.3377 Soluble
49 G C -1.5407 Soluble
50 L C 0.0000 Buried
51 E C -0.7594 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 S C -0.8202 Soluble
56 I C 0.0000 Buried
57 K C -1.3000 Soluble
58 Y C -0.2951 Soluble
59 S C -0.7566 Soluble
63 G C -1.3704 Soluble
64 E C -2.3915 Soluble
65 T C -1.6465 Soluble
66 K C -2.0420 Soluble
67 Y C -1.2853 Soluble
68 N C 0.0000 Buried
69 P C -1.5571 Soluble
70 S C -1.0956 Soluble
71 V C 0.0000 Buried
72 K C -2.2563 Soluble
74 G C -1.6214 Soluble
75 R C -1.5549 Soluble
76 I C 0.0000 Buried
77 T C -1.0076 Soluble
78 I C 0.0000 Buried
79 S C -0.6972 Soluble
80 R C -1.5252 Soluble
81 D C -2.3157 Soluble
82 D C -2.9360 Soluble
83 S C -2.2213 Soluble
84 K C -2.7419 Soluble
85 N C -2.0463 Soluble
86 T C 0.0000 Buried
87 F C 0.0000 Buried
88 Y C -0.6813 Soluble
89 L C 0.0000 Buried
90 Q C -1.4058 Soluble
91 M C 0.0000 Buried
92 N C -1.9492 Soluble
93 S C -1.5309 Soluble
94 L C 0.0000 Buried
95 R C -2.5251 Soluble
96 A C -1.7913 Soluble
97 E C -2.2963 Soluble
98 D C 0.0000 Buried
99 T C -0.4710 Soluble
100 A C 0.0000 Buried
101 V C 0.5098 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.2699 Soluble
107 G C 0.0000 Buried
108 S C -0.2895 Soluble
109 H C -0.4045 Soluble
110 Y C 0.5554 Aggregation-prone
111 F C 1.3081 Aggregation-prone
112A G C 0.2474 Aggregation-prone
112 H C -0.1101 Soluble
113 W C -0.0209 Soluble
114 H C 0.0000 Buried
115 F C 0.0000 Buried
116 A C -0.2372 Soluble
117 V C -0.3467 Soluble
118 W C -0.3183 Soluble
119 G C 0.0000 Buried
120 Q C -1.4497 Soluble
121 G C -0.4064 Soluble
122 T C 0.4509 Aggregation-prone
123 L C 1.6042 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.3334 Aggregation-prone
126 V C 0.0000 Buried
127 S C -0.6052 Soluble
128 S C -0.8445 Soluble
1 D D -2.9357 Soluble
2 I D 0.0000 Buried
3 Q D -2.3629 Soluble
4 L D 0.0000 Buried
5 T D -1.2659 Soluble
6 Q D 0.0000 Buried
7 S D -0.7418 Soluble
8 P D -0.4607 Soluble
9 S D -0.7052 Soluble
10 S D -0.7315 Soluble
11 L D -0.5643 Soluble
12 S D -0.8300 Soluble
13 A D -0.7757 Soluble
14 S D -0.6854 Soluble
15 V D 0.0193 Aggregation-prone
16 G D -0.8670 Soluble
17 D D -1.6403 Soluble
18 R D -2.2826 Soluble
19 V D 0.0000 Buried
20 T D -0.6341 Soluble
21 I D 0.0000 Buried
22 T D -0.7887 Soluble
23 C D 0.0000 Buried
24 R D -2.4886 Soluble
25 A D -2.0518 Soluble
26 S D -2.1777 Soluble
27 K D -2.8373 Soluble
28 P D -1.9952 Soluble
29 V D 0.0000 Buried
30 D D -2.0263 Soluble
31 G D -1.6426 Soluble
34 E D -2.1488 Soluble
35 G D -1.7482 Soluble
36 D D -1.2454 Soluble
37 S D 0.0000 Buried
38 Y D 0.0000 Buried
39 L D 0.0000 Buried
40 N D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.6861 Soluble
46 P D -1.3285 Soluble
47 G D -1.7047 Soluble
48 K D -2.6089 Soluble
49 A D -1.6738 Soluble
50 P D 0.0000 Buried
51 K D -1.3170 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.5291 Aggregation-prone
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D 0.1389 Aggregation-prone
66 Y D 0.8592 Aggregation-prone
67 L D 0.6478 Aggregation-prone
68 E D -0.1552 Soluble
69 S D -0.3810 Soluble
70 G D -0.6063 Soluble
71 V D 0.0000 Buried
72 P D -0.4331 Soluble
74 S D -0.4832 Soluble
75 R D -0.8150 Soluble
76 F D 0.0000 Buried
77 S D -0.1617 Soluble
78 G D 0.0000 Buried
79 S D -0.5389 Soluble
80 G D -1.0270 Soluble
83 S D -1.2856 Soluble
84 G D -1.5077 Soluble
85 T D -1.8825 Soluble
86 D D -1.8974 Soluble
87 F D 0.0000 Buried
88 T D -0.6953 Soluble
89 L D 0.0000 Buried
90 T D -0.6125 Soluble
91 I D 0.0000 Buried
92 S D -1.2957 Soluble
93 S D -1.0943 Soluble
94 L D 0.0000 Buried
95 Q D -0.6683 Soluble
96 P D -0.9272 Soluble
97 E D -1.4789 Soluble
98 D D 0.0000 Buried
99 F D -0.4013 Soluble
100 A D 0.0000 Buried
101 T D -0.6766 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 S D 0.0000 Buried
108 H D -1.6567 Soluble
109 E D -2.6286 Soluble
114 D D -2.8608 Soluble
115 P D 0.0000 Buried
116 Y D -1.2467 Soluble
117 T D -1.2021 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.5919 Soluble
121 G D -1.0849 Soluble
122 T D 0.0000 Buried
123 K D -1.0939 Soluble
124 V D 0.0000 Buried
125 E D -1.0665 Soluble
126 I D -0.7130 Soluble
127 K D -1.5117 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
Color Legend (B-factor = A4D Score)
Score > 1.5 — highly aggregation-prone
Score 0.5–1.5 — aggregation-prone
Score ≈ 0 — buried
Score −1 to −0.5 — soluble
Score < −2.5 — highly soluble
pH Structure
Load structure at specific pH condition
A4D Score Threshold
Highlight residues > threshold in the sequence panel
CDR Regions
HCDR1
HCDR2
HCDR3
LCDR1
LCDR2
LCDR3
Display Options

pH-Dependent Aggregation Profiles

A4D scores calculated across 11 pH conditions (4.0–9.0, step 0.5). Click a row to view the structure at that pH. The input structure is globular — max score is recommended for pH analysis.

pH Avg A4D Score Max A4D Score Downloads
4.0 -0.7006 3.517 CSV PDB
4.5 -0.7427 3.4891 CSV PDB
5.0 -0.7908 3.4516 CSV PDB
5.5 -0.8348 3.4225 CSV PDB
6.0 -0.8642 3.4182 CSV PDB
6.5 -0.8729 3.4331 CSV PDB
7.0 -0.8637 3.4476 CSV PDB
7.5 -0.8439 3.4522 CSV PDB
8.0 -0.8181 3.4498 CSV PDB
8.5 -0.787 3.4444 CSV PDB
9.0 -0.7494 3.4384 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH