Omalizumab / 7si0

A4DAB191_7si0_C_D | Source PDB: 7si0 | Chains: C, D | Done
98.71
Yes
10 Å
Yes
Avg A4D Score
-0.6417
Max Score
1.6175
Min Score
-3.1786
Total Score
-149.51
Score CDR
-0.5411
Score non-CDR
-0.6706

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPDGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASVTYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSDIQLTQSPSSLSASVGDRVTITCRASQSVDSDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKG 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 -3.1786
Maximum Score 1.6175
Average Score -0.6417
Total Score -149.5108

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

Index Residue Chain A4D Score Classification
1 E C -2.1805 Soluble
2 V C 0.0000 Buried
3 Q C -1.4821 Soluble
4 L C 0.0000 Buried
5 V C 0.9719 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.1891 Soluble
8 G C -0.5760 Soluble
9 G C 0.1796 Aggregation-prone
11 G C 0.9163 Aggregation-prone
12 L C 1.4744 Aggregation-prone
13 V C -0.1657 Soluble
14 Q C -1.5652 Soluble
15 P C -2.0895 Soluble
16 D C -2.7961 Soluble
17 G C -1.7898 Soluble
18 S C -1.4732 Soluble
19 L C -1.2360 Soluble
20 R C -2.1116 Soluble
21 L C 0.0000 Buried
22 S C -0.4564 Soluble
23 C C 0.0000 Buried
24 A C -0.0944 Soluble
25 V C 0.0000 Buried
26 S C -0.9788 Soluble
27 G C -1.2751 Soluble
28 Y C -0.4712 Soluble
29 S C -0.4624 Soluble
30 I C 0.0000 Buried
31 T C -0.6143 Soluble
35 S C -0.0772 Soluble
36 G C 0.1408 Aggregation-prone
37 Y C 0.2414 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 -0.6266 Soluble
45 A C -1.1001 Soluble
46 P C -0.8470 Soluble
47 G C -1.4585 Soluble
48 K C -2.2914 Soluble
49 G C -1.4961 Soluble
50 L C 0.0000 Buried
51 E C -0.8220 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 V C 0.0000 Buried
57 T C -0.2069 Soluble
58 Y C 0.0909 Aggregation-prone
59 D C -1.4578 Soluble
63 G C -1.0744 Soluble
64 S C -0.7734 Soluble
65 T C -0.5517 Soluble
66 N C -0.9774 Soluble
67 Y C -0.9180 Soluble
68 N C 0.0000 Buried
69 P C -1.4795 Soluble
70 S C -0.9224 Soluble
71 V C 0.0000 Buried
72 K C -2.1531 Soluble
74 G C -1.5410 Soluble
75 R C -1.4671 Soluble
76 I C 0.0000 Buried
77 T C -0.9450 Soluble
78 I C 0.0000 Buried
79 S C -0.7394 Soluble
80 R C -1.3545 Soluble
81 D C -2.2234 Soluble
82 D C -2.8800 Soluble
83 S C -2.1717 Soluble
84 K C -2.7180 Soluble
85 N C -2.0665 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 -1.2443 Soluble
91 M C 0.0000 Buried
92 N C -1.8485 Soluble
93 S C -2.0753 Soluble
94 L C 0.0000 Buried
95 R C -3.1786 Soluble
96 A C -2.1444 Soluble
97 E C -2.3709 Soluble
98 D C 0.0000 Buried
99 T C -0.4418 Soluble
100 A C 0.0000 Buried
101 V C 0.5944 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 -0.2153 Soluble
107 G C 0.0000 Buried
108 S C -0.3135 Soluble
109 H C -0.4227 Soluble
110 Y C 0.5653 Aggregation-prone
111 F C 1.3182 Aggregation-prone
112A G C 0.0967 Aggregation-prone
112 H C -0.3561 Soluble
113 W C 0.1081 Aggregation-prone
114 H C 0.0000 Buried
115 F C 0.0000 Buried
116 A C -0.2705 Soluble
117 V C -0.3755 Soluble
118 W C -0.4461 Soluble
119 G C 0.0000 Buried
120 Q C -1.3194 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 L C 1.6175 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.3774 Aggregation-prone
126 V C -0.8106 Soluble
127 S C -0.4240 Soluble
128 S C -0.4591 Soluble
1 D D -2.7881 Soluble
2 I D -2.2140 Soluble
3 Q D -2.1098 Soluble
4 L D 0.0000 Buried
5 T D -0.9545 Soluble
6 Q D 0.0000 Buried
7 S D -0.7117 Soluble
8 P D -0.4988 Soluble
9 S D -0.7712 Soluble
10 S D -1.0546 Soluble
11 L D -0.7360 Soluble
12 S D -1.0774 Soluble
13 A D 0.0000 Buried
14 S D -0.3625 Soluble
15 V D 0.3855 Aggregation-prone
16 G D -0.7245 Soluble
17 D D -1.4896 Soluble
18 R D -2.2341 Soluble
19 V D 0.0000 Buried
20 T D -0.5979 Soluble
21 I D 0.0000 Buried
22 T D -0.6945 Soluble
23 C D 0.0000 Buried
24 R D -1.9703 Soluble
25 A D -1.6003 Soluble
26 S D -1.7483 Soluble
27 Q D -2.1130 Soluble
28 S D -1.3399 Soluble
29 V D 0.0000 Buried
30 D D -1.6651 Soluble
31 S D -1.3696 Soluble
34 D D -2.0538 Soluble
35 G D -1.6855 Soluble
36 D D -1.1605 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 -1.8718 Soluble
46 P D -1.2946 Soluble
47 G D -1.7203 Soluble
48 K D -2.5868 Soluble
49 A D -1.6125 Soluble
50 P D 0.0000 Buried
51 K D -1.3726 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.5313 Aggregation-prone
56 A D 0.0000 Buried
57 A D 0.0000 Buried
65 S D 0.1050 Aggregation-prone
66 Y D 0.7834 Aggregation-prone
67 L D 0.4995 Aggregation-prone
68 E D -0.2550 Soluble
69 S D -0.4089 Soluble
70 G D -0.6341 Soluble
71 V D 0.0000 Buried
72 P D -0.4420 Soluble
74 S D -0.4530 Soluble
75 R D -0.7102 Soluble
76 F D 0.0000 Buried
77 S D -0.2101 Soluble
78 G D -0.1207 Soluble
79 S D -0.5947 Soluble
80 G D -1.0161 Soluble
83 S D -1.1947 Soluble
84 G D -1.2740 Soluble
85 T D -1.5652 Soluble
86 D D -1.9104 Soluble
87 F D 0.0000 Buried
88 T D -0.6893 Soluble
89 L D 0.0000 Buried
90 T D -0.5973 Soluble
91 I D 0.0000 Buried
92 S D -1.2220 Soluble
93 S D -1.0348 Soluble
94 L D 0.0000 Buried
95 Q D -1.0806 Soluble
96 P D -0.6841 Soluble
97 E D -1.9230 Soluble
98 D D 0.0000 Buried
99 F D -0.7013 Soluble
100 A D 0.0000 Buried
101 T D 0.0000 Buried
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 -1.7726 Soluble
109 E D -3.0291 Soluble
114 D D -3.0449 Soluble
115 P D 0.0000 Buried
116 Y D -1.3886 Soluble
117 T D -1.2619 Soluble
118 F D 0.0000 Buried
119 G D 0.0000 Buried
120 Q D -1.4743 Soluble
121 G D 0.0000 Buried
122 T D 0.0000 Buried
123 K D -1.5961 Soluble
124 V D 0.0000 Buried
125 E D -1.5889 Soluble
126 I D 0.0772 Aggregation-prone
127 K D -1.3661 Soluble
128 G D -1.0934 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
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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 -0.5961 3.5899 CSV PDB
4.5 -0.648 3.5477 CSV PDB
5.0 -0.709 3.5028 CSV PDB
5.5 -0.7697 3.47 CSV PDB
6.0 -0.8208 3.4625 CSV PDB
6.5 -0.8557 3.4747 CSV PDB
7.0 -0.875 3.4785 CSV PDB
7.5 -0.8838 3.4557 CSV PDB
8.0 -0.8852 3.4137 CSV PDB
8.5 -0.8789 3.367 CSV PDB
9.0 -0.864 3.3277 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH