Omalizumab / 7si0

A4DAB191_7si0_E_F | Source PDB: 7si0 | Chains: E, F | Done
98.71
Yes
10 Å
Yes
Avg A4D Score
-0.649
Max Score
1.5838
Min Score
-3.1305
Total Score
-151.87
Score CDR
-0.5378
Score non-CDR
-0.6808

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPDGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASVTYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSGDIQLTQSPSSLSASVGDRVTITCRASQSVDSDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKG input.pdb
Selected Chain(s) E (Heavy), F (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 -3.1305
Maximum Score 1.5838
Average Score -0.649
Total Score -151.8698

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

Index Residue Chain A4D Score Classification
1 E E -2.0005 Soluble
2 V E -1.1968 Soluble
3 Q E -1.2492 Soluble
4 L E 0.0000 Buried
5 V E 0.7620 Aggregation-prone
6 E E 0.0000 Buried
7 S E -0.2156 Soluble
8 G E -0.7293 Soluble
9 G E 0.0594 Aggregation-prone
11 G E 0.7501 Aggregation-prone
12 L E 1.3499 Aggregation-prone
13 V E 0.0000 Buried
14 Q E -1.6512 Soluble
15 P E -2.1661 Soluble
16 D E -2.7416 Soluble
17 G E -1.8609 Soluble
18 S E -1.8846 Soluble
19 L E 0.0000 Buried
20 R E -2.1850 Soluble
21 L E 0.0000 Buried
22 S E -0.5845 Soluble
23 C E 0.0000 Buried
24 A E -0.1857 Soluble
25 V E 0.0000 Buried
26 S E -0.8939 Soluble
27 G E -1.1032 Soluble
28 Y E -0.3553 Soluble
29 S E -0.1575 Soluble
30 I E 0.0000 Buried
31 T E -0.5006 Soluble
35 S E 0.0300 Aggregation-prone
36 G E 0.2270 Aggregation-prone
37 Y E 0.2734 Aggregation-prone
38 S E 0.0000 Buried
39 W E 0.0000 Buried
40 N E 0.0000 Buried
41 W E 0.0000 Buried
42 I E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.6793 Soluble
45 A E -1.0778 Soluble
46 P E -1.2402 Soluble
47 G E -1.5707 Soluble
48 K E -2.5090 Soluble
49 G E -1.5000 Soluble
50 L E 0.0000 Buried
51 E E -0.5672 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 S E 0.0000 Buried
56 V E 0.0000 Buried
57 T E -0.1318 Soluble
58 Y E 0.3543 Aggregation-prone
59 D E -1.2911 Soluble
63 G E -0.9295 Soluble
64 S E -0.7384 Soluble
65 T E -0.6895 Soluble
66 N E -1.4105 Soluble
67 Y E -1.1424 Soluble
68 N E 0.0000 Buried
69 P E -1.5663 Soluble
70 S E -1.0764 Soluble
71 V E 0.0000 Buried
72 K E -2.1953 Soluble
74 G E -1.5576 Soluble
75 R E -1.3218 Soluble
76 I E 0.0000 Buried
77 T E -0.9724 Soluble
78 I E 0.0000 Buried
79 S E -0.8082 Soluble
80 R E -1.7081 Soluble
81 D E -2.3468 Soluble
82 D E -2.8062 Soluble
83 S E -2.1418 Soluble
84 K E -2.7150 Soluble
85 N E -2.0662 Soluble
86 T E 0.0000 Buried
87 F E 0.0000 Buried
88 Y E 0.0000 Buried
89 L E 0.0000 Buried
90 Q E -1.3807 Soluble
91 M E 0.0000 Buried
92 N E -2.0323 Soluble
93 S E -1.8811 Soluble
94 L E 0.0000 Buried
95 R E -2.3759 Soluble
96 A E -1.5817 Soluble
97 E E -2.2779 Soluble
98 D E 0.0000 Buried
99 T E -0.2851 Soluble
100 A E 0.0000 Buried
101 V E 0.7442 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E -0.0409 Soluble
107 G E 0.0000 Buried
108 S E -0.3422 Soluble
109 H E -0.4074 Soluble
110 Y E 0.5331 Aggregation-prone
111 F E 1.3075 Aggregation-prone
112A G E 0.2472 Aggregation-prone
112 H E -0.2040 Soluble
113 W E 0.0228 Aggregation-prone
114 H E 0.0000 Buried
115 F E 0.0000 Buried
116 A E -0.2535 Soluble
117 V E -0.2505 Soluble
118 W E -0.4332 Soluble
119 G E 0.0000 Buried
120 Q E -1.2931 Soluble
121 G E 0.0000 Buried
122 T E 0.5483 Aggregation-prone
123 L E 1.5838 Aggregation-prone
124 V E 0.0000 Buried
125 T E 0.3826 Aggregation-prone
126 V E -0.7497 Soluble
127 S E -0.6902 Soluble
128 S E -0.8188 Soluble
129 G E -1.2225 Soluble
1 D F -2.9282 Soluble
2 I F 0.0000 Buried
3 Q F -2.3480 Soluble
4 L F 0.0000 Buried
5 T F -1.3445 Soluble
6 Q F 0.0000 Buried
7 S F -0.7913 Soluble
8 P F -0.4956 Soluble
9 S F -0.7888 Soluble
10 S F -0.9761 Soluble
11 L F -0.6441 Soluble
12 S F -0.8346 Soluble
13 A F 0.0000 Buried
14 S F -0.3420 Soluble
15 V F 0.2989 Aggregation-prone
16 G F -0.7079 Soluble
17 D F -1.4273 Soluble
18 R F -2.2062 Soluble
19 V F 0.0000 Buried
20 T F -0.5997 Soluble
21 I F 0.0000 Buried
22 T F -0.8310 Soluble
23 C F 0.0000 Buried
24 R F -2.6887 Soluble
25 A F 0.0000 Buried
26 S F -1.9809 Soluble
27 Q F -2.2765 Soluble
28 S F -1.4739 Soluble
29 V F 0.0000 Buried
30 D F -1.6268 Soluble
31 S F -1.5739 Soluble
34 D F -2.0432 Soluble
35 G F -1.6734 Soluble
36 D F -1.1227 Soluble
37 S F -1.1461 Soluble
38 Y F 0.0000 Buried
39 M F 0.0000 Buried
40 N F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F -1.3572 Soluble
45 K F -1.8152 Soluble
46 P F -1.2671 Soluble
47 G F -1.7373 Soluble
48 K F -2.6475 Soluble
49 A F -1.6813 Soluble
50 P F 0.0000 Buried
51 K F -1.4676 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.5244 Aggregation-prone
56 A F 0.0000 Buried
57 A F 0.0000 Buried
65 S F 0.0825 Aggregation-prone
66 Y F 0.8243 Aggregation-prone
67 L F 0.6952 Aggregation-prone
68 E F -0.1083 Soluble
69 S F -0.2935 Soluble
70 G F -0.4979 Soluble
71 V F -0.3134 Soluble
72 P F -0.3095 Soluble
74 S F -0.3818 Soluble
75 R F -0.6830 Soluble
76 F F 0.0000 Buried
77 S F -0.1871 Soluble
78 G F -0.1460 Soluble
79 S F -0.6106 Soluble
80 G F -1.1168 Soluble
83 S F -1.2619 Soluble
84 G F -1.3423 Soluble
85 T F -1.7911 Soluble
86 D F -2.1754 Soluble
87 F F 0.0000 Buried
88 T F -0.7755 Soluble
89 L F 0.0000 Buried
90 T F -0.6193 Soluble
91 I F 0.0000 Buried
92 S F -1.2432 Soluble
93 S F -1.0680 Soluble
94 L F 0.0000 Buried
95 Q F -1.0280 Soluble
96 P F -0.7419 Soluble
97 E F -1.8933 Soluble
98 D F 0.0000 Buried
99 F F -0.6670 Soluble
100 A F 0.0000 Buried
101 T F -1.0600 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 S F 0.0000 Buried
108 H F -1.8451 Soluble
109 E F -3.0695 Soluble
114 D F -3.1305 Soluble
115 P F 0.0000 Buried
116 Y F -1.3900 Soluble
117 T F -1.2761 Soluble
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 Q F -1.5719 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -1.6491 Soluble
124 V F 0.0000 Buried
125 E F -1.1843 Soluble
126 I F 0.0824 Aggregation-prone
127 K F -1.3099 Soluble
128 G F -1.0256 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
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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 -0.6018 3.5387 CSV PDB
4.5 -0.6514 3.4908 CSV PDB
5.0 -0.7096 3.4436 CSV PDB
5.5 -0.7673 3.4083 CSV PDB
6.0 -0.815 3.3974 CSV PDB
6.5 -0.846 3.4092 CSV PDB
7.0 -0.8605 3.4188 CSV PDB
7.5 -0.8637 3.4045 CSV PDB
8.0 -0.8594 3.3704 CSV PDB
8.5 -0.8479 3.3331 CSV PDB
9.0 -0.8281 3.306 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH