Omalizumab / 7si0

A4DAB191_7si0_I_J | Source PDB: 7si0 | Chains: I, J | Done
98.71
Yes
10 Å
Yes
Avg A4D Score
-0.6778
Max Score
1.7014
Min Score
-2.9781
Total Score
-157.92
Score CDR
-0.5857
Score non-CDR
-0.7042

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPDGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASVTYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSGDIQLTQSPSSLSASVGDRVTITCRASQSVDSDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIK input.pdb
Selected Chain(s) I (Heavy), J (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 -2.9781
Maximum Score 1.7014
Average Score -0.6778
Total Score -157.9218

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

Index Residue Chain A4D Score Classification
1 E I -2.0407 Soluble
2 V I -1.2950 Soluble
3 Q I -1.5345 Soluble
4 L I 0.0000 Buried
5 V I -0.0051 Soluble
6 E I 0.0000 Buried
7 S I -0.4675 Soluble
8 G I -0.7452 Soluble
9 G I 0.1829 Aggregation-prone
11 G I 0.7086 Aggregation-prone
12 L I 1.4566 Aggregation-prone
13 V I -0.1348 Soluble
14 Q I -1.6098 Soluble
15 P I -1.9721 Soluble
16 D I -2.6458 Soluble
17 G I -1.6715 Soluble
18 S I -1.6013 Soluble
19 L I -1.1424 Soluble
20 R I -2.2381 Soluble
21 L I 0.0000 Buried
22 S I -0.6913 Soluble
23 C I 0.0000 Buried
24 A I -0.4672 Soluble
25 V I 0.0000 Buried
26 S I -0.9904 Soluble
27 G I -1.1069 Soluble
28 Y I -0.4243 Soluble
29 S I -0.4023 Soluble
30 I I 0.0000 Buried
31 T I -0.5996 Soluble
35 S I -0.0860 Soluble
36 G I 0.0773 Aggregation-prone
37 Y I 0.1619 Aggregation-prone
38 S I 0.0000 Buried
39 W I 0.0000 Buried
40 N I 0.0000 Buried
41 W I 0.0000 Buried
42 I I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.5018 Soluble
45 A I -1.1125 Soluble
46 P I -1.1578 Soluble
47 G I -1.5484 Soluble
48 K I -2.4888 Soluble
49 G I -1.4886 Soluble
50 L I 0.0000 Buried
51 E I -0.8243 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 S I 0.0000 Buried
56 V I 0.0000 Buried
57 T I -0.2788 Soluble
58 Y I -0.2195 Soluble
59 D I -1.4987 Soluble
63 G I -1.0892 Soluble
64 S I -0.8196 Soluble
65 T I -0.5802 Soluble
66 N I -1.0238 Soluble
67 Y I -0.9974 Soluble
68 N I 0.0000 Buried
69 P I -1.5802 Soluble
70 S I -1.1526 Soluble
71 V I 0.0000 Buried
72 K I -2.2298 Soluble
74 G I -1.5945 Soluble
75 R I -1.4226 Soluble
76 I I 0.0000 Buried
77 T I -1.0807 Soluble
78 I I 0.0000 Buried
79 S I -0.8839 Soluble
80 R I -1.5652 Soluble
81 D I -2.3248 Soluble
82 D I -2.6079 Soluble
83 S I -2.0916 Soluble
84 K I -2.7047 Soluble
85 N I -1.9805 Soluble
86 T I 0.0000 Buried
87 F I 0.0000 Buried
88 Y I 0.0000 Buried
89 L I 0.0000 Buried
90 Q I -1.5769 Soluble
91 M I 0.0000 Buried
92 N I -1.6345 Soluble
93 S I -1.7090 Soluble
94 L I 0.0000 Buried
95 R I -2.4260 Soluble
96 A I -1.8192 Soluble
97 E I -2.3159 Soluble
98 D I 0.0000 Buried
99 T I -0.3157 Soluble
100 A I 0.0000 Buried
101 V I 0.7818 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I -0.0379 Soluble
107 G I 0.0000 Buried
108 S I -0.3545 Soluble
109 H I -0.4383 Soluble
110 Y I 0.5197 Aggregation-prone
111 F I 1.3461 Aggregation-prone
112A G I 0.2359 Aggregation-prone
112 H I -0.2251 Soluble
113 W I 0.0156 Aggregation-prone
114 H I 0.0000 Buried
115 F I 0.0000 Buried
116 A I -0.2010 Soluble
117 V I -0.2112 Soluble
118 W I -0.5248 Soluble
119 G I 0.0000 Buried
120 Q I -1.6234 Soluble
121 G I -0.4805 Soluble
122 T I 0.4487 Aggregation-prone
123 L I 1.7014 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.4113 Aggregation-prone
126 V I 0.0000 Buried
127 S I -0.7334 Soluble
128 S I -0.8639 Soluble
129 G I -1.1959 Soluble
1 D J -2.8731 Soluble
2 I J 0.0000 Buried
3 Q J -2.2930 Soluble
4 L J 0.0000 Buried
5 T J -1.3291 Soluble
6 Q J 0.0000 Buried
7 S J -0.6782 Soluble
8 P J -0.5155 Soluble
9 S J -0.7839 Soluble
10 S J -1.0438 Soluble
11 L J -0.6467 Soluble
12 S J -1.0141 Soluble
13 A J -0.8775 Soluble
14 S J -0.8970 Soluble
15 V J -0.1893 Soluble
16 G J -0.8651 Soluble
17 D J -1.5883 Soluble
18 R J -2.3081 Soluble
19 V J 0.0000 Buried
20 T J -0.6379 Soluble
21 I J 0.0000 Buried
22 T J -0.8740 Soluble
23 C J 0.0000 Buried
24 R J -2.7713 Soluble
25 A J 0.0000 Buried
26 S J -1.9777 Soluble
27 Q J -2.1737 Soluble
28 S J -1.4626 Soluble
29 V J 0.0000 Buried
30 D J -1.5978 Soluble
31 S J -1.5637 Soluble
34 D J -2.0655 Soluble
35 G J -1.6692 Soluble
36 D J -1.3553 Soluble
37 S J 0.0000 Buried
38 Y J 0.0000 Buried
39 M J 0.0000 Buried
40 N J 0.0000 Buried
41 W J 0.0000 Buried
42 Y J 0.0000 Buried
43 Q J 0.0000 Buried
44 Q J 0.0000 Buried
45 K J -1.5346 Soluble
46 P J -1.2197 Soluble
47 G J -1.6850 Soluble
48 K J -2.5613 Soluble
49 A J -1.5939 Soluble
50 P J 0.0000 Buried
51 K J -1.3469 Soluble
52 L J 0.0000 Buried
53 L J 0.0000 Buried
54 I J 0.0000 Buried
55 Y J 0.5078 Aggregation-prone
56 A J 0.0000 Buried
57 A J 0.0000 Buried
65 S J 0.0626 Aggregation-prone
66 Y J 0.7320 Aggregation-prone
67 L J 0.6043 Aggregation-prone
68 E J -0.1699 Soluble
69 S J -0.3417 Soluble
70 G J -0.5416 Soluble
71 V J -0.3738 Soluble
72 P J -0.3992 Soluble
74 S J -0.3929 Soluble
75 R J -0.7525 Soluble
76 F J 0.0000 Buried
77 S J -0.2024 Soluble
78 G J -0.1387 Soluble
79 S J -0.5845 Soluble
80 G J -1.0315 Soluble
83 S J -1.2103 Soluble
84 G J -1.3343 Soluble
85 T J -1.7736 Soluble
86 D J -2.0101 Soluble
87 F J 0.0000 Buried
88 T J -0.7759 Soluble
89 L J 0.0000 Buried
90 T J -0.6270 Soluble
91 I J 0.0000 Buried
92 S J -1.2221 Soluble
93 S J -1.1642 Soluble
94 L J 0.0000 Buried
95 Q J -0.9714 Soluble
96 P J -1.1486 Soluble
97 E J -1.6179 Soluble
98 D J 0.0000 Buried
99 F J -0.5974 Soluble
100 A J 0.0000 Buried
101 T J -0.8982 Soluble
102 Y J 0.0000 Buried
103 Y J 0.0000 Buried
104 C J 0.0000 Buried
105 Q J 0.0000 Buried
106 Q J 0.0000 Buried
107 S J 0.0000 Buried
108 H J -1.7424 Soluble
109 E J -2.8554 Soluble
114 D J -2.9781 Soluble
115 P J -2.1299 Soluble
116 Y J -1.4423 Soluble
117 T J -1.2687 Soluble
118 F J 0.0000 Buried
119 G J 0.0000 Buried
120 Q J -1.5504 Soluble
121 G J 0.0000 Buried
122 T J 0.0000 Buried
123 K J -1.7290 Soluble
124 V J 0.0000 Buried
125 E J -1.8087 Soluble
126 I J -1.0699 Soluble
127 K J -1.6217 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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 -0.6341 3.5383 CSV PDB
4.5 -0.6893 3.5026 CSV PDB
5.0 -0.7529 3.4636 CSV PDB
5.5 -0.8157 3.4308 CSV PDB
6.0 -0.8678 3.4169 CSV PDB
6.5 -0.9015 3.4307 CSV PDB
7.0 -0.917 3.458 CSV PDB
7.5 -0.9213 3.4692 CSV PDB
8.0 -0.9192 3.4541 CSV PDB
8.5 -0.9101 3.4249 CSV PDB
9.0 -0.8915 3.3972 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH