Omalizumab / 7shz

A4DAB191_7shz_E_F | Source PDB: 7shz | Chains: E, F | Done
96.12
Yes
10 Å
Yes
Avg A4D Score
-0.6787
Max Score
1.4008
Min Score
-2.9458
Total Score
-158.15
Score CDR
-0.6764
Score non-CDR
-0.6794

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASIKYSGETKYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSGDIQLTQSPSSLSASVGDRVTITCRASKPVDGEGDSYLNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIK 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 -2.9458
Maximum Score 1.4008
Average Score -0.6787
Total Score -158.1457

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

Index Residue Chain A4D Score Classification
1 E E -2.1455 Soluble
2 V E 0.0000 Buried
3 Q E -1.3991 Soluble
4 L E 0.0000 Buried
5 V E 1.1560 Aggregation-prone
6 E E 0.0000 Buried
7 S E -0.2377 Soluble
8 G E -0.8221 Soluble
9 G E -0.0304 Soluble
11 G E 0.5835 Aggregation-prone
12 L E 1.3416 Aggregation-prone
13 V E -0.0285 Soluble
14 Q E -1.2250 Soluble
15 P E -1.5175 Soluble
16 G E -1.4378 Soluble
17 G E -1.3164 Soluble
18 S E -1.7969 Soluble
19 L E 0.0000 Buried
20 R E -2.3804 Soluble
21 L E 0.0000 Buried
22 S E -0.4333 Soluble
23 C E 0.0000 Buried
24 A E -0.0215 Soluble
25 V E 0.0000 Buried
26 S E -0.9402 Soluble
27 G E -1.2037 Soluble
28 Y E -0.4419 Soluble
29 S E -0.5294 Soluble
30 I E 0.0000 Buried
31 T E -0.5397 Soluble
35 S E -0.0050 Soluble
36 G E 0.0093 Aggregation-prone
37 Y E 0.1044 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 -0.5709 Soluble
45 A E -1.0565 Soluble
46 P E -1.0357 Soluble
47 G E -1.5582 Soluble
48 K E -2.3517 Soluble
49 G E -1.5848 Soluble
50 L E 0.0000 Buried
51 E E -0.8677 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 S E -0.7757 Soluble
56 I E 0.0000 Buried
57 K E -1.2089 Soluble
58 Y E -0.2795 Soluble
59 S E -0.7117 Soluble
63 G E -1.3250 Soluble
64 E E -2.3247 Soluble
65 T E -1.5769 Soluble
66 K E -1.9485 Soluble
67 Y E -1.2291 Soluble
68 N E 0.0000 Buried
69 P E -1.5914 Soluble
70 S E -1.1367 Soluble
71 V E 0.0000 Buried
72 K E -2.2769 Soluble
74 G E -1.7164 Soluble
75 R E -1.7413 Soluble
76 I E 0.0000 Buried
77 T E -1.0820 Soluble
78 I E 0.0000 Buried
79 S E -0.6751 Soluble
80 R E -1.5170 Soluble
81 D E -2.3148 Soluble
82 D E -2.9458 Soluble
83 S E -2.2236 Soluble
84 K E -2.7501 Soluble
85 N E -2.0746 Soluble
86 T E 0.0000 Buried
87 F E 0.0000 Buried
88 Y E -0.6223 Soluble
89 L E 0.0000 Buried
90 Q E -1.5421 Soluble
91 M E 0.0000 Buried
92 N E -2.2836 Soluble
93 S E -1.6472 Soluble
94 L E 0.0000 Buried
95 R E -2.5614 Soluble
96 A E -1.8306 Soluble
97 E E -2.3392 Soluble
98 D E 0.0000 Buried
99 T E -0.5271 Soluble
100 A E 0.0000 Buried
101 V E 0.7338 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 -0.2189 Soluble
107 G E 0.0000 Buried
108 S E -0.3084 Soluble
109 H E -0.4190 Soluble
110 Y E 0.5154 Aggregation-prone
111 F E 1.3024 Aggregation-prone
112A G E 0.2312 Aggregation-prone
112 H E -0.1408 Soluble
113 W E -0.0484 Soluble
114 H E 0.0000 Buried
115 F E 0.0000 Buried
116 A E -0.2648 Soluble
117 V E -0.3629 Soluble
118 W E -0.4280 Soluble
119 G E 0.0000 Buried
120 Q E -1.1891 Soluble
121 G E 0.0000 Buried
122 T E 0.5307 Aggregation-prone
123 L E 1.4008 Aggregation-prone
124 V E 0.0000 Buried
125 T E 0.2026 Aggregation-prone
126 V E 0.0000 Buried
127 S E -0.9500 Soluble
128 S E -0.7245 Soluble
129 G E -0.6025 Soluble
1 D F -2.9036 Soluble
2 I F 0.0000 Buried
3 Q F -2.2777 Soluble
4 L F 0.0000 Buried
5 T F -1.1175 Soluble
6 Q F 0.0000 Buried
7 S F -0.7123 Soluble
8 P F -0.5090 Soluble
9 S F -0.7877 Soluble
10 S F -0.9751 Soluble
11 L F -0.7799 Soluble
12 S F -1.0679 Soluble
13 A F 0.0000 Buried
14 S F -0.8306 Soluble
15 V F 0.2669 Aggregation-prone
16 G F -0.9442 Soluble
17 D F -2.1628 Soluble
18 R F -2.6120 Soluble
19 V F 0.0000 Buried
20 T F -0.5454 Soluble
21 I F 0.0000 Buried
22 T F -0.6883 Soluble
23 C F 0.0000 Buried
24 R F -1.9945 Soluble
25 A F 0.0000 Buried
26 S F -2.0412 Soluble
27 K F -2.7721 Soluble
28 P F -1.9610 Soluble
29 V F 0.0000 Buried
30 D F -2.1120 Soluble
31 G F -1.8390 Soluble
34 E F -2.1758 Soluble
35 G F -1.7752 Soluble
36 D F -1.2915 Soluble
37 S F 0.0000 Buried
38 Y F 0.0000 Buried
39 L 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 -1.3244 Soluble
45 K F -1.6992 Soluble
46 P F -1.2150 Soluble
47 G F -1.7494 Soluble
48 K F -2.6403 Soluble
49 A F -1.6609 Soluble
50 P F 0.0000 Buried
51 K F -1.3961 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.4201 Aggregation-prone
56 A F 0.0000 Buried
57 A F 0.0000 Buried
65 S F 0.1223 Aggregation-prone
66 Y F 0.7764 Aggregation-prone
67 L F 0.5676 Aggregation-prone
68 E F -0.1735 Soluble
69 S F -0.3877 Soluble
70 G F -0.6043 Soluble
71 V F 0.0000 Buried
72 P F -0.4315 Soluble
74 S F -0.4811 Soluble
75 R F -0.7684 Soluble
76 F F 0.0000 Buried
77 S F -0.2067 Soluble
78 G F -0.0898 Soluble
79 S F -0.5766 Soluble
80 G F -0.9839 Soluble
83 S F -1.1765 Soluble
84 G F -1.5015 Soluble
85 T F -1.7656 Soluble
86 D F -1.7958 Soluble
87 F F 0.0000 Buried
88 T F -0.6708 Soluble
89 L F 0.0000 Buried
90 T F -0.6209 Soluble
91 I F 0.0000 Buried
92 S F -1.4962 Soluble
93 S F -1.3144 Soluble
94 L F 0.0000 Buried
95 Q F -0.6226 Soluble
96 P F -0.6606 Soluble
97 E F -0.9556 Soluble
98 D F 0.0000 Buried
99 F F -0.6596 Soluble
100 A F 0.0000 Buried
101 T F -0.9718 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 -1.6521 Soluble
109 E F -2.5642 Soluble
114 D F -2.8204 Soluble
115 P F -2.0737 Soluble
116 Y F -1.2845 Soluble
117 T F -1.2271 Soluble
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 Q F -1.6563 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -1.6533 Soluble
124 V F 0.0000 Buried
125 E F -1.6298 Soluble
126 I F -0.9750 Soluble
127 K F -1.4833 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 -0.6817 3.4395 CSV PDB
4.5 -0.7288 3.3975 CSV PDB
5.0 -0.7822 3.3487 CSV PDB
5.5 -0.8314 3.3094 CSV PDB
6.0 -0.8651 3.2991 CSV PDB
6.5 -0.8765 3.3251 CSV PDB
7.0 -0.8685 3.3657 CSV PDB
7.5 -0.8494 3.3931 CSV PDB
8.0 -0.8244 3.403 CSV PDB
8.5 -0.7937 3.4044 CSV PDB
9.0 -0.756 3.4037 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH