Omalizumab / 7shy

A4DAB191_7shy_C_D | Source PDB: 7shy | Chains: C, D | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6464
Max Score
1.6206
Min Score
-2.9278
Total Score
-150.62
Score CDR
-0.5093
Score non-CDR
-0.6858

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKG 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 -2.9278
Maximum Score 1.6206
Average Score -0.6464
Total Score -150.6199

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

Index Residue Chain A4D Score Classification
1 E C -2.0042 Soluble
2 V C -1.2329 Soluble
3 Q C -1.4658 Soluble
4 L C 0.0000 Buried
5 V C 0.1756 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.5060 Soluble
8 G C -0.9877 Soluble
9 G C -0.0935 Soluble
11 G C 0.5969 Aggregation-prone
12 L C 1.4160 Aggregation-prone
13 V C -0.0512 Soluble
14 Q C -1.2945 Soluble
15 P C -1.4736 Soluble
16 G C -1.4039 Soluble
17 G C -1.2247 Soluble
18 S C -1.5282 Soluble
19 L C 0.0000 Buried
20 R C -2.3787 Soluble
21 L C 0.0000 Buried
22 S C -0.7071 Soluble
23 C C 0.0000 Buried
24 A C -0.3574 Soluble
25 V C 0.0000 Buried
26 S C -0.9570 Soluble
27 G C -1.1116 Soluble
28 Y C -0.4310 Soluble
29 S C -0.5752 Soluble
30 I C 0.0000 Buried
31 T C -0.8065 Soluble
35 S C -0.2502 Soluble
36 G C 0.0000 Buried
37 Y C 0.0701 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 -0.5849 Soluble
45 A C -1.0367 Soluble
46 P C -1.0174 Soluble
47 G C -1.6102 Soluble
48 K C -2.4355 Soluble
49 G C -1.7120 Soluble
50 L C 0.0000 Buried
51 E C -0.8463 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 S C 0.0000 Buried
56 I C 0.0000 Buried
57 T C -0.4864 Soluble
58 Y C -0.3781 Soluble
59 D C -1.6470 Soluble
63 G C -1.1666 Soluble
64 S C -0.8480 Soluble
65 T C -0.6458 Soluble
66 N C -1.1698 Soluble
67 Y C -1.0701 Soluble
68 N C 0.0000 Buried
69 P C -1.4944 Soluble
70 S C -0.9165 Soluble
71 V C 0.0000 Buried
72 K C -2.2217 Soluble
74 G C -1.5942 Soluble
75 R C -1.4510 Soluble
76 I C 0.0000 Buried
77 T C -1.0268 Soluble
78 I C 0.0000 Buried
79 S C -0.7873 Soluble
80 R C -1.5111 Soluble
81 D C -2.3170 Soluble
82 D C -2.9278 Soluble
83 S C -2.2279 Soluble
84 K C -2.7205 Soluble
85 N C -2.0590 Soluble
86 T C 0.0000 Buried
87 F C 0.0000 Buried
88 Y C 0.0000 Buried
89 L C 0.0000 Buried
90 Q C -1.5426 Soluble
91 M C 0.0000 Buried
92 N C -1.6150 Soluble
93 S C -1.3208 Soluble
94 L C 0.0000 Buried
95 R C -2.3757 Soluble
96 A C -1.7321 Soluble
97 E C -2.2607 Soluble
98 D C 0.0000 Buried
99 T C -0.3438 Soluble
100 A C 0.0000 Buried
101 V C 0.4921 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 -0.1346 Soluble
107 G C 0.0000 Buried
108 S C -0.3181 Soluble
109 H C -0.4271 Soluble
110 Y C 0.5624 Aggregation-prone
111 F C 1.3777 Aggregation-prone
112A G C 0.2616 Aggregation-prone
112 H C -0.0948 Soluble
113 W C 0.0661 Aggregation-prone
114 H C 0.0000 Buried
115 F C 0.0000 Buried
116 A C -0.2482 Soluble
117 V C -0.2777 Soluble
118 W C -0.3544 Soluble
119 G C 0.0000 Buried
120 Q C -1.5663 Soluble
121 G C -0.4870 Soluble
122 T C 0.4288 Aggregation-prone
123 L C 1.6206 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.3382 Aggregation-prone
126 V C 0.0000 Buried
127 S C -0.3667 Soluble
128 S C -0.6288 Soluble
1 D D -2.8176 Soluble
2 I D 0.0000 Buried
3 Q D -2.2526 Soluble
4 L D 0.0000 Buried
5 T D -1.4170 Soluble
6 Q D 0.0000 Buried
7 S D -0.7959 Soluble
8 P D -0.5036 Soluble
9 S D -0.8778 Soluble
10 S D -1.1221 Soluble
11 L D -0.9154 Soluble
12 S D -1.2353 Soluble
13 A D -0.9439 Soluble
14 S D -0.6424 Soluble
15 V D 0.4236 Aggregation-prone
16 G D -0.7069 Soluble
17 D D -1.5523 Soluble
18 R D -2.2436 Soluble
19 V D 0.0000 Buried
20 T D -0.6560 Soluble
21 I D 0.0000 Buried
22 T D -0.8770 Soluble
23 C D 0.0000 Buried
24 R D -2.7133 Soluble
25 A D 0.0000 Buried
26 S D -1.9103 Soluble
27 Q D -1.9805 Soluble
28 S D -1.1281 Soluble
29 V D 0.0000 Buried
30 D D -0.7716 Soluble
31 Y D -0.1150 Soluble
34 D D -1.3840 Soluble
35 G D -1.2153 Soluble
36 D D -0.8842 Soluble
37 S D 0.0000 Buried
38 Y D 0.0000 Buried
39 M 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 -1.5249 Soluble
46 P D -1.2605 Soluble
47 G D -1.6323 Soluble
48 K D -2.5359 Soluble
49 A D -1.6490 Soluble
50 P D 0.0000 Buried
51 K D -1.4006 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.4805 Aggregation-prone
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D 0.0668 Aggregation-prone
66 Y D 0.6731 Aggregation-prone
67 L D 0.5514 Aggregation-prone
68 E D -0.2099 Soluble
69 S D -0.3565 Soluble
70 G D -0.5329 Soluble
71 V D -0.3754 Soluble
72 P D -0.3472 Soluble
74 S D -0.3913 Soluble
75 R D -0.7828 Soluble
76 F D 0.0000 Buried
77 S D -0.2011 Soluble
78 G D -0.1064 Soluble
79 S D -0.6019 Soluble
80 G D -1.1214 Soluble
83 S D -1.1002 Soluble
84 G D -1.1795 Soluble
85 T D -1.8992 Soluble
86 D D -2.5277 Soluble
87 F D 0.0000 Buried
88 T D -0.8131 Soluble
89 L D 0.0000 Buried
90 T D -0.6113 Soluble
91 I D 0.0000 Buried
92 S D -1.2915 Soluble
93 S D -1.0540 Soluble
94 L D 0.0000 Buried
95 Q D -0.4985 Soluble
96 P D -0.7307 Soluble
97 E D -1.5321 Soluble
98 D D 0.0000 Buried
99 F D -0.4886 Soluble
100 A D 0.0000 Buried
101 T D -1.0355 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 -1.2072 Soluble
109 E D -2.7019 Soluble
114 D D -2.9251 Soluble
115 P D -2.0917 Soluble
116 Y D -1.3412 Soluble
117 T D -1.2972 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -2.0762 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.9504 Soluble
124 V D 0.0000 Buried
125 E D -2.1863 Soluble
126 I D -0.9257 Soluble
127 K D -1.8498 Soluble
128 G D -1.3698 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.5801 3.5808 CSV PDB
4.5 -0.6276 3.5542 CSV PDB
5.0 -0.6844 3.527 CSV PDB
5.5 -0.7403 3.514 CSV PDB
6.0 -0.7856 3.528 CSV PDB
6.5 -0.8143 3.5597 CSV PDB
7.0 -0.8273 3.5791 CSV PDB
7.5 -0.8306 3.5701 CSV PDB
8.0 -0.8284 3.5414 CSV PDB
8.5 -0.8209 3.5064 CSV PDB
9.0 -0.8058 3.4746 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH