Omalizumab / 6tcn

A4DAB191_6tcn_H_L | Source PDB: 6tcn | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6896
Max Score
1.5643
Min Score
-3.5813
Total Score
-299.3
Score CDR
-0.3886
Score non-CDR
-0.7306

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5813
Maximum Score 1.5643
Average Score -0.6896
Total Score -299.3024

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

Index Residue Chain A4D Score Classification
1 E H -2.1173 Soluble
2 V H -1.3110 Soluble
3 Q H -1.2747 Soluble
4 L H 0.0000 Buried
5 V H 1.1392 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4559 Soluble
8 G H -1.1148 Soluble
9 G H -0.7680 Soluble
11 G H -0.3724 Soluble
12 L H -0.0313 Soluble
13 V H -0.6067 Soluble
14 Q H -1.5660 Soluble
15 P H -1.7048 Soluble
16 G H -1.5085 Soluble
17 G H -1.2576 Soluble
18 S H -1.6149 Soluble
19 L H 0.0000 Buried
20 R H -2.4518 Soluble
21 L H 0.0000 Buried
22 S H -0.5268 Soluble
23 C H 0.0000 Buried
24 A H -0.0802 Soluble
25 V H 0.0000 Buried
26 S H -0.7476 Soluble
27 G H -1.2104 Soluble
28 Y H -0.5483 Soluble
29 S H -0.3989 Soluble
30 I H 0.0000 Buried
31 T H -0.4628 Soluble
35 S H 0.0748 Aggregation-prone
36 G H 0.0000 Buried
37 Y H 0.1931 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 -0.4266 Soluble
44 Q H -0.6866 Soluble
45 A H -1.1394 Soluble
46 P H -1.0272 Soluble
47 G H -1.5993 Soluble
48 K H -2.3519 Soluble
49 G H -1.5369 Soluble
50 L H 0.0000 Buried
51 E H -0.8319 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 -0.2144 Soluble
58 Y H 0.2693 Aggregation-prone
59 D H -1.3382 Soluble
63 G H -1.0089 Soluble
64 S H -0.7553 Soluble
65 T H -0.5073 Soluble
66 N H -0.9174 Soluble
67 Y H -0.9210 Soluble
68 N H 0.0000 Buried
69 P H -1.4452 Soluble
70 S H -0.9167 Soluble
71 V H 0.0000 Buried
72 K H -2.1771 Soluble
74 G H -1.6053 Soluble
75 R H -1.4759 Soluble
76 I H 0.0000 Buried
77 T H -1.0338 Soluble
78 I H 0.0000 Buried
79 S H -0.6647 Soluble
80 R H -1.2965 Soluble
81 D H -1.9467 Soluble
82 D H -2.2711 Soluble
83 S H -1.8936 Soluble
84 K H -2.4974 Soluble
85 N H -1.8321 Soluble
86 T H 0.0000 Buried
87 F H 0.0000 Buried
88 Y H 0.0000 Buried
89 L H 0.0000 Buried
90 Q H -1.7002 Soluble
91 M H 0.0000 Buried
92 N H -1.8605 Soluble
93 S H -1.4287 Soluble
94 L H 0.0000 Buried
95 R H -2.4546 Soluble
96 A H -1.7629 Soluble
97 E H -2.2748 Soluble
98 D H 0.0000 Buried
99 T H -0.7339 Soluble
100 A H 0.0000 Buried
101 V H 0.2607 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 -0.2264 Soluble
107 G H 0.0000 Buried
108 S H 0.1838 Aggregation-prone
109 H H 0.0872 Aggregation-prone
110 Y H 1.3672 Aggregation-prone
111 F H 1.3714 Aggregation-prone
112A G H 0.5185 Aggregation-prone
112 H H 0.2652 Aggregation-prone
113 W H -0.1459 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.1977 Soluble
117 V H -0.1375 Soluble
118 W H -0.4006 Soluble
119 G H 0.0000 Buried
120 Q H -1.1798 Soluble
121 G H -0.5212 Soluble
122 T H -0.0199 Soluble
123 L H 0.2141 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3914 Soluble
126 V H 0.0000 Buried
127 S H -0.7128 Soluble
128 S H -0.6627 Soluble
129 A H -0.4687 Soluble
130 S H -0.6284 Soluble
131 T H -0.8984 Soluble
132 K H -1.6119 Soluble
133 G H -1.6964 Soluble
134 P H -0.8402 Soluble
135 S H -0.4772 Soluble
136 V H 0.0000 Buried
137 F H -0.5512 Soluble
138 P H -1.0378 Soluble
139 L H 0.0000 Buried
140 A H -1.1585 Soluble
141 P H 0.0000 Buried
142 S H -0.7158 Soluble
143 S H -0.6906 Soluble
144 G H -0.6691 Soluble
145 T H -0.4882 Soluble
146 A H 0.0000 Buried
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.7277 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.5522 Soluble
159 P H -0.7240 Soluble
160 V H 0.0000 Buried
161 T H -0.7085 Soluble
162 V H -0.4424 Soluble
163 S H -0.4088 Soluble
164 W H 0.0000 Buried
165 N H -0.6713 Soluble
166 S H -0.6530 Soluble
167 G H -0.5542 Soluble
168 A H -0.2382 Soluble
169 L H 0.0070 Aggregation-prone
170 T H -0.1628 Soluble
171 S H -0.3490 Soluble
172 G H -0.3962 Soluble
173 V H 0.2027 Aggregation-prone
174 H H 0.0000 Buried
175 T H -0.1090 Soluble
176 F H 0.0000 Buried
177 P H -0.1832 Soluble
178 A H 0.4004 Aggregation-prone
179 V H 0.9209 Aggregation-prone
180 L H 1.5643 Aggregation-prone
181 Q H 0.4510 Aggregation-prone
182 S H 0.0063 Aggregation-prone
183 S H -0.2429 Soluble
184 G H 0.0094 Aggregation-prone
185 L H 0.0542 Aggregation-prone
186 Y H 0.4666 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1139 Soluble
194 V H 0.0000 Buried
195 P H -0.5069 Soluble
196 S H -0.5913 Soluble
197 S H -0.6240 Soluble
198 S H -0.6416 Soluble
199 L H -0.8881 Soluble
200 G H -1.0024 Soluble
201 T H -0.6644 Soluble
202 Q H -1.0602 Soluble
203 T H -0.9090 Soluble
204 Y H 0.0000 Buried
205 I H -0.8779 Soluble
206 C H 0.0000 Buried
207 N H -1.3533 Soluble
208 V H 0.0000 Buried
209 N H -2.1608 Soluble
210 H H 0.0000 Buried
211 K H -2.8474 Soluble
212 P H -1.6354 Soluble
213 S H -1.9594 Soluble
214 N H -2.6334 Soluble
215 T H -2.1661 Soluble
216 K H -2.7619 Soluble
217 V H -1.5953 Soluble
218 D H -2.3034 Soluble
219 K H -1.7406 Soluble
220 K H -1.8032 Soluble
221 V H 0.0000 Buried
222 E H -2.6866 Soluble
223 P H -1.9827 Soluble
224 K H -2.4972 Soluble
1 D L -2.7233 Soluble
2 I L 0.0000 Buried
3 Q L -2.3300 Soluble
4 L L 0.0000 Buried
5 T L -1.3912 Soluble
6 Q L 0.0000 Buried
7 S L -0.7454 Soluble
8 P L -0.6099 Soluble
9 S L -0.9525 Soluble
10 S L -1.0527 Soluble
11 L L -0.6971 Soluble
12 S L -0.7603 Soluble
13 A L -1.0302 Soluble
14 S L -0.9926 Soluble
15 V L -0.0869 Soluble
16 G L -1.1264 Soluble
17 D L -2.5496 Soluble
18 R L -2.7396 Soluble
19 V L 0.0000 Buried
20 T L -0.6960 Soluble
21 I L 0.0000 Buried
22 T L -0.7685 Soluble
23 C L 0.0000 Buried
24 R L -2.6629 Soluble
25 A L 0.0000 Buried
26 S L -2.0011 Soluble
27 Q L -2.3029 Soluble
28 S L -1.2766 Soluble
29 V L 0.0000 Buried
30 D L -1.1240 Soluble
31 Y L -0.2910 Soluble
34 D L -1.6714 Soluble
35 G L -1.3143 Soluble
36 D L -0.8535 Soluble
37 S L 0.0000 Buried
38 Y L -0.0791 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 -1.3511 Soluble
45 K L -1.9020 Soluble
46 P L -1.4948 Soluble
47 G L -1.6063 Soluble
48 K L -2.5092 Soluble
49 A L -1.5573 Soluble
50 P L 0.0000 Buried
51 K L -1.4661 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.8136 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1609 Aggregation-prone
66 Y L 1.0317 Aggregation-prone
67 L L 0.6446 Aggregation-prone
68 E L -0.1622 Soluble
69 S L -0.3297 Soluble
70 G L -0.5337 Soluble
71 V L -0.3835 Soluble
72 P L -0.3493 Soluble
74 S L -0.4689 Soluble
75 R L -0.7977 Soluble
76 F L 0.0000 Buried
77 S L -0.1756 Soluble
78 G L 0.0000 Buried
79 S L -0.4928 Soluble
80 G L -0.9372 Soluble
83 S L -0.9684 Soluble
84 G L -1.1638 Soluble
85 T L -1.6927 Soluble
86 D L -1.8929 Soluble
87 F L 0.0000 Buried
88 T L -0.6832 Soluble
89 L L 0.0000 Buried
90 T L -0.6190 Soluble
91 I L 0.0000 Buried
92 S L -1.5655 Soluble
93 S L -1.5041 Soluble
94 L L 0.0000 Buried
95 Q L -1.1617 Soluble
96 P L -1.5991 Soluble
97 E L -2.4848 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -1.0841 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 -1.1544 Soluble
109 E L -2.1002 Soluble
114 D L -2.4022 Soluble
115 P L -1.7646 Soluble
116 Y L 0.0000 Buried
117 T L -1.2121 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.7376 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.0278 Soluble
124 V L 0.0000 Buried
125 E L -1.2908 Soluble
126 I L 0.0000 Buried
127 K L -1.3409 Soluble
128 R L -0.7153 Soluble
129 T L 0.0814 Aggregation-prone
130 V L 0.4412 Aggregation-prone
131 A L 0.2009 Aggregation-prone
132 A L -0.0600 Soluble
133 P L 0.0000 Buried
134 S L -0.1172 Soluble
135 V L 0.0000 Buried
136 F L 0.1637 Aggregation-prone
137 I L 0.1438 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4456 Soluble
140 P L 0.0000 Buried
141 S L -1.6901 Soluble
142 D L -2.9531 Soluble
143 E L -2.6051 Soluble
144 Q L 0.0000 Buried
145 L L -2.1818 Soluble
146 K L -2.6920 Soluble
147 S L -1.6671 Soluble
148 G L -1.3524 Soluble
149 T L -0.8981 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 -0.7448 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6976 Soluble
162 R L -2.7708 Soluble
163 E L -3.1304 Soluble
164 A L -2.2585 Soluble
165 K L -2.5438 Soluble
166 V L -0.9902 Soluble
167 Q L -0.5032 Soluble
168 W L 0.0000 Buried
169 K L -0.5238 Soluble
170 V L 0.0000 Buried
171 D L -1.6772 Soluble
172 N L -1.3207 Soluble
173 A L -0.2490 Soluble
174 L L 0.7284 Aggregation-prone
175 Q L -0.3063 Soluble
176 S L -0.5651 Soluble
177 G L -1.0986 Soluble
178 N L -1.2503 Soluble
179 S L -1.1178 Soluble
180 Q L -0.8820 Soluble
181 E L -1.3642 Soluble
182 S L -0.5564 Soluble
183 V L -0.6855 Soluble
184 T L -1.0218 Soluble
185 E L -2.1275 Soluble
186 Q L 0.0000 Buried
187 D L -2.0631 Soluble
188 S L -2.2884 Soluble
189 K L -2.4611 Soluble
190 D L -1.6659 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 -0.5025 Soluble
199 L L 0.0000 Buried
200 T L -0.5476 Soluble
201 L L -0.7887 Soluble
202 S L -1.1135 Soluble
203 K L -2.1204 Soluble
204 A L -1.9759 Soluble
205 D L -2.6802 Soluble
206 Y L 0.0000 Buried
207 E L -3.5572 Soluble
208 K L -3.5813 Soluble
209 H L -3.0216 Soluble
210 K L -3.1172 Soluble
211 V L -1.3557 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6094 Soluble
216 V L 0.0000 Buried
217 T L -1.0869 Soluble
218 H L 0.0000 Buried
219 Q L -1.5326 Soluble
220 G L -0.4111 Soluble
221 L L -0.2038 Soluble
222 S L -0.4560 Soluble
223 S L -0.3841 Soluble
224 P L -0.4698 Soluble
225 V L -0.0063 Soluble
226 T L -0.4588 Soluble
227 K L -0.7246 Soluble
228 S L -0.5350 Soluble
229 F L -0.9222 Soluble
230 N L -1.9548 Soluble
231 R L -2.5552 Soluble
232 G L -2.1793 Soluble
233 E L -2.5273 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
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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 -0.7358 2.15 CSV PDB
4.5 -0.7827 2.1459 CSV PDB
5.0 -0.8371 2.1471 CSV PDB
5.5 -0.8888 2.1617 CSV PDB
6.0 -0.9265 2.1911 CSV PDB
6.5 -0.9414 2.225 CSV PDB
7.0 -0.9338 2.2512 CSV PDB
7.5 -0.9117 2.2635 CSV PDB
8.0 -0.8816 2.2627 CSV PDB
8.5 -0.8449 2.2535 CSV PDB
9.0 -0.8011 2.2374 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH