Omalizumab / 7si0

A4DAB191_7si0_K_L | Source PDB: 7si0 | Chains: K, L | Done
98.71
Yes
10 Å
Yes
Avg A4D Score
-0.6525
Max Score
1.435
Min Score
-3.1544
Total Score
-152.04
Score CDR
-0.5382
Score non-CDR
-0.6853

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPDGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASVTYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSDIQLTQSPSSLSASVGDRVTITCRASQSVDSDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKG input.pdb
Selected Chain(s) K (Heavy), L (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 -3.1544
Maximum Score 1.435
Average Score -0.6525
Total Score -152.0351

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

Index Residue Chain A4D Score Classification
1 E K -2.0035 Soluble
2 V K -1.1674 Soluble
3 Q K -1.3400 Soluble
4 L K 0.0000 Buried
5 V K 0.0832 Aggregation-prone
6 E K 0.0000 Buried
7 S K -0.5051 Soluble
8 G K -0.8623 Soluble
9 G K 0.0992 Aggregation-prone
11 G K 0.7303 Aggregation-prone
12 L K 1.4111 Aggregation-prone
13 V K -0.1652 Soluble
14 Q K -1.5253 Soluble
15 P K -1.9969 Soluble
16 D K -2.7380 Soluble
17 G K -1.8264 Soluble
18 S K -1.7605 Soluble
19 L K -1.6505 Soluble
20 R K -2.3420 Soluble
21 L K 0.0000 Buried
22 S K -0.6847 Soluble
23 C K 0.0000 Buried
24 A K -0.4699 Soluble
25 V K 0.0000 Buried
26 S K -0.9026 Soluble
27 G K -1.0631 Soluble
28 Y K -0.2996 Soluble
29 S K -0.4378 Soluble
30 I K 0.0000 Buried
31 T K -0.6224 Soluble
35 S K -0.0690 Soluble
36 G K 0.1520 Aggregation-prone
37 Y K 0.2350 Aggregation-prone
38 S K 0.0000 Buried
39 W K 0.0000 Buried
40 N K 0.0000 Buried
41 W K 0.0000 Buried
42 I K 0.0000 Buried
43 R K 0.0000 Buried
44 Q K -0.6716 Soluble
45 A K -1.1594 Soluble
46 P K -1.0539 Soluble
47 G K -1.4686 Soluble
48 K K -2.3017 Soluble
49 G K -1.5111 Soluble
50 L K 0.0000 Buried
51 E K -0.9121 Soluble
52 W K 0.0000 Buried
53 V K 0.0000 Buried
54 A K 0.0000 Buried
55 S K 0.0000 Buried
56 V K 0.0000 Buried
57 T K -0.1951 Soluble
58 Y K 0.1481 Aggregation-prone
59 D K -1.4291 Soluble
63 G K -1.0277 Soluble
64 S K -0.7819 Soluble
65 T K -0.5834 Soluble
66 N K -1.0894 Soluble
67 Y K -0.9741 Soluble
68 N K 0.0000 Buried
69 P K -1.4946 Soluble
70 S K -0.9502 Soluble
71 V K 0.0000 Buried
72 K K -2.1795 Soluble
74 G K -1.6322 Soluble
75 R K -1.5480 Soluble
76 I K 0.0000 Buried
77 T K -1.0862 Soluble
78 I K 0.0000 Buried
79 S K -0.7199 Soluble
80 R K -1.5620 Soluble
81 D K -2.3209 Soluble
82 D K -2.9383 Soluble
83 S K -2.2312 Soluble
84 K K -2.7577 Soluble
85 N K -2.0606 Soluble
86 T K 0.0000 Buried
87 F K 0.0000 Buried
88 Y K 0.0000 Buried
89 L K 0.0000 Buried
90 Q K -1.6234 Soluble
91 M K 0.0000 Buried
92 N K -2.3560 Soluble
93 S K -2.0894 Soluble
94 L K 0.0000 Buried
95 R K -2.7400 Soluble
96 A K -1.9280 Soluble
97 E K -2.2768 Soluble
98 D K 0.0000 Buried
99 T K -0.4640 Soluble
100 A K 0.0000 Buried
101 V K 0.5584 Aggregation-prone
102 Y K 0.0000 Buried
103 Y K 0.0000 Buried
104 C K 0.0000 Buried
105 A K 0.0000 Buried
106 R K -0.1325 Soluble
107 G K 0.0000 Buried
108 S K -0.3015 Soluble
109 H K -0.4658 Soluble
110 Y K 0.5131 Aggregation-prone
111 F K 1.2990 Aggregation-prone
112A G K 0.2450 Aggregation-prone
112 H K -0.2164 Soluble
113 W K 0.0177 Aggregation-prone
114 H K 0.0000 Buried
115 F K 0.0000 Buried
116 A K -0.2148 Soluble
117 V K -0.2248 Soluble
118 W K -0.3123 Soluble
119 G K 0.0000 Buried
120 Q K -1.3799 Soluble
121 G K 0.0000 Buried
122 T K 0.3789 Aggregation-prone
123 L K 1.4350 Aggregation-prone
124 V K 0.0000 Buried
125 T K 0.2831 Aggregation-prone
126 V K 0.0000 Buried
127 S K -0.3976 Soluble
128 S K -0.7033 Soluble
1 D L -2.9016 Soluble
2 I L 0.0000 Buried
3 Q L -2.1752 Soluble
4 L L 0.0000 Buried
5 T L -0.9727 Soluble
6 Q L 0.0000 Buried
7 S L -0.7258 Soluble
8 P L -0.5157 Soluble
9 S L -0.7854 Soluble
10 S L -1.0750 Soluble
11 L L -0.7284 Soluble
12 S L -1.0708 Soluble
13 A L 0.0000 Buried
14 S L -0.3334 Soluble
15 V L 0.5138 Aggregation-prone
16 G L -0.6893 Soluble
17 D L -1.5394 Soluble
18 R L -2.2622 Soluble
19 V L 0.0000 Buried
20 T L -0.6045 Soluble
21 I L 0.0000 Buried
22 T L -0.6916 Soluble
23 C L 0.0000 Buried
24 R L -1.9657 Soluble
25 A L -1.6453 Soluble
26 S L -1.7847 Soluble
27 Q L -2.3354 Soluble
28 S L -1.3955 Soluble
29 V L 0.0000 Buried
30 D L -1.6604 Soluble
31 S L -1.5820 Soluble
34 D L -2.0445 Soluble
35 G L -1.6814 Soluble
36 D L -1.1348 Soluble
37 S L 0.0000 Buried
38 Y L 0.0000 Buried
39 M L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -2.0130 Soluble
46 P L -1.4911 Soluble
47 G L -1.7493 Soluble
48 K L -2.6355 Soluble
49 A L -1.6563 Soluble
50 P L 0.0000 Buried
51 K L -1.2009 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5295 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1257 Aggregation-prone
66 Y L 0.8112 Aggregation-prone
67 L L 0.6216 Aggregation-prone
68 E L -0.0487 Soluble
69 S L -0.3545 Soluble
70 G L -0.5301 Soluble
71 V L -0.3329 Soluble
72 P L -0.3271 Soluble
74 S L -0.3924 Soluble
75 R L -0.7870 Soluble
76 F L 0.0000 Buried
77 S L -0.1630 Soluble
78 G L 0.0000 Buried
79 S L -0.5809 Soluble
80 G L -1.0118 Soluble
83 S L -1.1783 Soluble
84 G L -1.2781 Soluble
85 T L -1.5500 Soluble
86 D L -1.8579 Soluble
87 F L 0.0000 Buried
88 T L -0.6667 Soluble
89 L L 0.0000 Buried
90 T L -0.5837 Soluble
91 I L 0.0000 Buried
92 S L -1.2039 Soluble
93 S L -1.1191 Soluble
94 L L 0.0000 Buried
95 Q L -1.0951 Soluble
96 P L -0.8684 Soluble
97 E L -1.9394 Soluble
98 D L 0.0000 Buried
99 F L -0.8286 Soluble
100 A L 0.0000 Buried
101 T L 0.0000 Buried
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 S L 0.0000 Buried
108 H L -1.8345 Soluble
109 E L -3.1544 Soluble
114 D L -3.0778 Soluble
115 P L 0.0000 Buried
116 Y L -1.4345 Soluble
117 T L -1.3242 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.4360 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.7108 Soluble
124 V L 0.0000 Buried
125 E L -1.6308 Soluble
126 I L 0.2505 Aggregation-prone
127 K L -1.2472 Soluble
128 G L -0.9828 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 -0.6116 3.5503 CSV PDB
4.5 -0.6651 3.5072 CSV PDB
5.0 -0.7274 3.4601 CSV PDB
5.5 -0.7889 3.4218 CSV PDB
6.0 -0.8399 3.4067 CSV PDB
6.5 -0.8728 3.417 CSV PDB
7.0 -0.8884 3.4286 CSV PDB
7.5 -0.8934 3.416 CSV PDB
8.0 -0.8921 3.3804 CSV PDB
8.5 -0.8844 3.3372 CSV PDB
9.0 -0.8686 3.2998 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH