Omalizumab / 6tcp

A4DAB191_6tcp_H_L | Source PDB: 6tcp | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6998
Max Score
1.5226
Min Score
-3.7048
Total Score
-302.31
Score CDR
-0.3651
Score non-CDR
-0.7456

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNAPQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) H (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 -3.7048
Maximum Score 1.5226
Average Score -0.6998
Total Score -302.3109

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

Index Residue Chain A4D Score Classification
1 E H -2.0352 Soluble
2 V H -1.0471 Soluble
3 Q H -1.3907 Soluble
4 L H 0.0000 Buried
5 V H 0.3684 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5441 Soluble
8 G H -0.9468 Soluble
9 G H -0.6267 Soluble
11 G H -0.2789 Soluble
12 L H -0.1188 Soluble
13 V H -0.5693 Soluble
14 Q H -1.5001 Soluble
15 P H -1.4665 Soluble
16 G H -1.4733 Soluble
17 G H -1.2398 Soluble
18 S H -1.5243 Soluble
19 L H 0.0000 Buried
20 R H -2.3938 Soluble
21 L H 0.0000 Buried
22 S H -0.5625 Soluble
23 C H 0.0000 Buried
24 A H -0.1859 Soluble
25 V H 0.0000 Buried
26 S H -0.6861 Soluble
27 G H -1.0604 Soluble
28 Y H -0.4302 Soluble
29 S H -0.4950 Soluble
30 I H 0.0000 Buried
31 T H -0.3684 Soluble
35 S H 0.0238 Aggregation-prone
36 G H 0.0000 Buried
37 Y H 0.1445 Aggregation-prone
38 S H 0.0000 Buried
39 W H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 I H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7312 Soluble
45 A H -1.1858 Soluble
46 P H -0.9714 Soluble
47 G H -1.4630 Soluble
48 K H -2.3787 Soluble
49 G H -1.6386 Soluble
50 L H 0.0000 Buried
51 E H -0.8141 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 S H 0.0000 Buried
56 I H 0.0000 Buried
57 T H -0.2769 Soluble
58 Y H 0.2458 Aggregation-prone
59 D H -1.3846 Soluble
63 G H -1.0492 Soluble
64 S H -0.7884 Soluble
65 T H -0.5308 Soluble
66 N H -0.7815 Soluble
67 Y H -0.8088 Soluble
68 N H 0.0000 Buried
69 P H -1.1010 Soluble
70 S H -0.8452 Soluble
71 V H 0.0000 Buried
72 K H -2.0524 Soluble
75 R H -1.5023 Soluble
76 I H 0.0000 Buried
77 T H -1.0525 Soluble
78 I H 0.0000 Buried
79 S H -0.7091 Soluble
80 R H -1.1675 Soluble
81 D H -1.8134 Soluble
82 D H -2.0722 Soluble
83 S H -1.8046 Soluble
84 K H -2.4328 Soluble
85 N H -1.7128 Soluble
86 T H 0.0000 Buried
87 F H 0.0000 Buried
88 Y H -0.7482 Soluble
89 L H 0.0000 Buried
90 Q H -1.7910 Soluble
91 M H 0.0000 Buried
92 N H -1.8901 Soluble
93 S H -1.4325 Soluble
94 L H 0.0000 Buried
95 R H -2.4232 Soluble
96 A H -1.6954 Soluble
97 E H -2.2305 Soluble
98 D H 0.0000 Buried
99 T H -0.6719 Soluble
100 A H 0.0000 Buried
101 V H 0.2044 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.2004 Soluble
107 G H 0.0000 Buried
108 S H 0.0000 Buried
109 H H -0.0491 Soluble
110 Y H 1.3794 Aggregation-prone
111 F H 1.5226 Aggregation-prone
112A G H 0.6714 Aggregation-prone
112 H H 0.0258 Aggregation-prone
113 W H -0.1440 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.1495 Soluble
117 V H -0.0624 Soluble
118 W H -0.4750 Soluble
119 G H 0.0000 Buried
120 Q H -1.5011 Soluble
121 G H -0.7118 Soluble
122 T H -0.1473 Soluble
123 L H 0.0992 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3465 Soluble
126 V H -0.7903 Soluble
127 S H -0.6245 Soluble
128 S H -0.6356 Soluble
129 A H -0.4241 Soluble
130 S H -0.5943 Soluble
131 T H -0.8295 Soluble
132 K H -1.4404 Soluble
133 G H -1.5070 Soluble
134 P H -0.6897 Soluble
135 S H -0.5048 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1455 Soluble
139 L H 0.0000 Buried
140 A H -1.2068 Soluble
141 P H 0.0000 Buried
142 S H -0.4921 Soluble
143 G H -0.6471 Soluble
144 T H -0.4940 Soluble
145 A H -0.2478 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.4628 Soluble
154 Y H 0.0000 Buried
155 F H -0.3421 Soluble
156 P H 0.0000 Buried
157 E H -0.7987 Soluble
158 P H -0.8091 Soluble
159 V H -0.7110 Soluble
160 T H -0.6175 Soluble
161 V H -0.3759 Soluble
162 S H -0.3692 Soluble
163 W H 0.0000 Buried
164 N H -0.6325 Soluble
165 S H -0.6032 Soluble
166 G H -0.4916 Soluble
167 A H -0.1766 Soluble
168 L H 0.0814 Aggregation-prone
169 T H -0.1310 Soluble
170 S H -0.3835 Soluble
171 G H -0.5156 Soluble
172 V H 0.1641 Aggregation-prone
173 H H 0.0000 Buried
174 T H 0.0807 Aggregation-prone
175 F H 0.0000 Buried
176 P H -0.2295 Soluble
177 A H 0.2241 Aggregation-prone
178 V H 0.5909 Aggregation-prone
179 L H 1.4819 Aggregation-prone
180 Q H 0.4180 Aggregation-prone
181 S H -0.0461 Soluble
182 S H -0.2508 Soluble
183 G H -0.0318 Soluble
184 L H 0.0736 Aggregation-prone
185 Y H 0.4012 Aggregation-prone
186 S H 0.0000 Buried
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1352 Soluble
193 V H 0.0000 Buried
194 P H -0.5800 Soluble
195 S H -0.5558 Soluble
196 S H -0.5997 Soluble
197 S H -0.5642 Soluble
198 L H -0.7228 Soluble
199 G H -0.9204 Soluble
200 T H -0.6460 Soluble
201 Q H -0.9177 Soluble
202 T H -1.0096 Soluble
203 Y H 0.0000 Buried
204 I H -1.1457 Soluble
205 C H 0.0000 Buried
206 N H -1.4793 Soluble
207 V H 0.0000 Buried
208 N H -1.9853 Soluble
209 H H 0.0000 Buried
210 K H -2.7256 Soluble
211 P H -1.5772 Soluble
212 S H -1.8511 Soluble
213 N H -2.5633 Soluble
214 T H -2.1341 Soluble
215 K H -2.7469 Soluble
216 V H -1.7778 Soluble
217 D H -2.5766 Soluble
218 K H -2.2393 Soluble
219 K H -2.5772 Soluble
220 V H 0.0000 Buried
221 E H -2.7775 Soluble
222 P H -2.0619 Soluble
223 K H -2.4648 Soluble
1 D L -2.6617 Soluble
2 I L 0.0000 Buried
3 Q L -2.1292 Soluble
4 L L -1.5348 Soluble
5 T L -1.3345 Soluble
6 Q L 0.0000 Buried
7 S L -0.8619 Soluble
8 P L -0.5579 Soluble
9 S L -0.9676 Soluble
10 S L -0.9947 Soluble
11 L L -0.6032 Soluble
12 S L -0.6444 Soluble
13 A L -0.9842 Soluble
14 S L -0.9277 Soluble
15 V L -0.0470 Soluble
16 G L -0.9652 Soluble
17 D L -2.4324 Soluble
18 R L -2.7079 Soluble
19 V L 0.0000 Buried
20 T L -0.5363 Soluble
21 I L 0.0000 Buried
22 T L -0.7579 Soluble
23 C L 0.0000 Buried
24 R L -2.5998 Soluble
25 A L -1.9157 Soluble
26 S L -1.9572 Soluble
27 Q L -2.2778 Soluble
28 S L -1.2847 Soluble
29 V L 0.0000 Buried
30 D L -1.1658 Soluble
31 Y L -0.3784 Soluble
34 D L -1.6809 Soluble
35 G L -1.2969 Soluble
36 D L -0.7739 Soluble
37 S L -0.6277 Soluble
38 Y L -0.3453 Soluble
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 -1.3411 Soluble
45 K L -1.7990 Soluble
46 P L -1.5470 Soluble
47 G L -1.6503 Soluble
48 K L -2.5477 Soluble
49 A L -1.5713 Soluble
50 P L 0.0000 Buried
51 K L -1.2884 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.8118 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.0958 Aggregation-prone
66 Y L 0.9819 Aggregation-prone
67 L L 0.6654 Aggregation-prone
68 E L -0.0948 Soluble
69 S L -0.3063 Soluble
70 G L -0.5162 Soluble
71 V L -0.3413 Soluble
72 P L -0.3395 Soluble
74 S L -0.4229 Soluble
75 R L -0.7135 Soluble
76 F L 0.0000 Buried
77 S L -0.1542 Soluble
78 G L -0.1193 Soluble
79 S L -0.5774 Soluble
80 G L -1.0317 Soluble
83 S L -1.1968 Soluble
84 G L -1.1719 Soluble
85 T L -1.6980 Soluble
86 D L -1.9151 Soluble
87 F L 0.0000 Buried
88 T L -0.7219 Soluble
89 L L 0.0000 Buried
90 T L -0.6149 Soluble
91 I L 0.0000 Buried
92 S L -1.4849 Soluble
93 S L -1.3912 Soluble
94 L L 0.0000 Buried
95 Q L -0.9306 Soluble
96 P L -1.2994 Soluble
97 E L -1.9053 Soluble
98 D L 0.0000 Buried
99 F L -1.1131 Soluble
100 A L 0.0000 Buried
101 T L -1.0466 Soluble
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 -1.1436 Soluble
109 E L -2.2946 Soluble
114 D L -1.7102 Soluble
115 P L 0.0000 Buried
116 Y L 0.0000 Buried
117 T L -1.1258 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.7503 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9265 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L 0.0000 Buried
127 K L -1.1526 Soluble
128 R L -0.7843 Soluble
129 T L -0.1086 Soluble
130 V L 0.5119 Aggregation-prone
131 A L 0.1841 Aggregation-prone
132 A L -0.0365 Soluble
133 P L 0.0000 Buried
134 S L -0.1223 Soluble
135 V L 0.0000 Buried
136 F L 0.1686 Aggregation-prone
137 I L 0.1627 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5329 Soluble
140 P L -0.8072 Soluble
141 S L -1.7819 Soluble
142 D L -2.7609 Soluble
143 E L -3.0602 Soluble
144 Q L 0.0000 Buried
145 L L -2.2048 Soluble
146 K L -2.7294 Soluble
147 S L -1.6564 Soluble
148 G L -1.1147 Soluble
149 T L -0.8014 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.6949 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.2610 Soluble
162 R L -1.8429 Soluble
163 E L -2.6123 Soluble
164 A L -1.8943 Soluble
165 K L -2.1716 Soluble
166 V L 0.0000 Buried
167 Q L -0.9302 Soluble
168 W L 0.0000 Buried
169 K L -1.2473 Soluble
170 V L 0.0000 Buried
171 D L -2.1724 Soluble
172 N L -1.9383 Soluble
173 A L -1.0880 Soluble
174 P L -1.0487 Soluble
175 Q L -0.9682 Soluble
176 S L -0.7715 Soluble
177 G L -0.8192 Soluble
178 N L -0.6916 Soluble
179 S L -0.9978 Soluble
180 Q L -1.1238 Soluble
181 E L -1.9302 Soluble
182 S L -0.6070 Soluble
183 V L -0.4600 Soluble
184 T L -0.8307 Soluble
185 E L -1.9728 Soluble
186 Q L 0.0000 Buried
187 D L -2.0228 Soluble
188 S L -2.0895 Soluble
189 K L -2.4562 Soluble
190 D L -1.8117 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.5583 Soluble
199 L L 0.0000 Buried
200 T L -0.2313 Soluble
201 L L -0.6306 Soluble
202 S L -1.0496 Soluble
203 K L -2.0382 Soluble
204 A L -1.9560 Soluble
205 D L -2.6912 Soluble
206 Y L 0.0000 Buried
207 E L -3.5771 Soluble
208 K L -3.7048 Soluble
209 H L -3.0848 Soluble
210 K L -3.3657 Soluble
211 V L -1.5430 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9327 Soluble
216 V L 0.0000 Buried
217 T L -1.1267 Soluble
218 H L 0.0000 Buried
219 Q L -1.5938 Soluble
220 G L -0.4032 Soluble
221 L L -0.2363 Soluble
222 S L -0.4497 Soluble
223 S L -0.3952 Soluble
224 P L -0.5022 Soluble
225 V L -0.0115 Soluble
226 T L -0.4775 Soluble
227 K L -0.6439 Soluble
228 S L -0.5774 Soluble
229 F L -1.0469 Soluble
230 N L -2.1746 Soluble
231 R L -2.8416 Soluble
232 G L -2.3393 Soluble
233 E L -2.7774 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 -0.7195 2.4183 CSV PDB
4.5 -0.7654 2.4149 CSV PDB
5.0 -0.8192 2.4182 CSV PDB
5.5 -0.8708 2.4374 CSV PDB
6.0 -0.9092 2.4746 CSV PDB
6.5 -0.9255 2.5165 CSV PDB
7.0 -0.9185 2.549 CSV PDB
7.5 -0.895 2.5677 CSV PDB
8.0 -0.8617 2.5735 CSV PDB
8.5 -0.821 2.5697 CSV PDB
9.0 -0.7733 2.561 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH