Omalizumab / 6tcq

A4DAB191_6tcq_H_L | Source PDB: 6tcq | Chains: H, L | Done
99.14
Yes
10 Å
Yes
Avg A4D Score
-0.6879
Max Score
2.0287
Min Score
-3.6353
Total Score
-297.86
Score CDR
-0.2582
Score non-CDR
-0.7465

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISRLRPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.6353
Maximum Score 2.0287
Average Score -0.6879
Total Score -297.8579

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

Index Residue Chain A4D Score Classification
2 V H 0.8696 Aggregation-prone
3 Q H -0.4572 Soluble
4 L H 0.0000 Buried
5 V H 0.6644 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5727 Soluble
8 G H -1.1085 Soluble
9 G H -0.6530 Soluble
11 G H -0.2808 Soluble
12 L H -0.0128 Soluble
13 V H -0.7731 Soluble
14 Q H -1.5482 Soluble
15 P H -1.6035 Soluble
16 G H -1.6033 Soluble
17 G H -1.3274 Soluble
18 S H -1.7857 Soluble
19 L H 0.0000 Buried
20 R H -2.4908 Soluble
21 L H 0.0000 Buried
22 S H -0.5660 Soluble
23 C H 0.0000 Buried
24 A H -0.4484 Soluble
25 V H 0.0000 Buried
26 S H 0.2559 Aggregation-prone
27 G H -0.0450 Soluble
28 Y H 1.5485 Aggregation-prone
29 S H 1.4478 Aggregation-prone
30 I H 2.0287 Aggregation-prone
31 T H 0.0000 Buried
35 S H 0.3157 Aggregation-prone
36 G H 0.1336 Aggregation-prone
37 Y H 0.3902 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 -0.7445 Soluble
45 A H -1.1759 Soluble
46 P H -1.1509 Soluble
47 G H -1.4652 Soluble
48 K H -2.3248 Soluble
49 G H -1.5450 Soluble
50 L H 0.0000 Buried
51 E H -0.8552 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 -0.2086 Soluble
58 Y H 0.0220 Aggregation-prone
59 D H -1.3953 Soluble
63 G H -1.0006 Soluble
64 S H -0.7105 Soluble
65 T H -0.4813 Soluble
66 N H -1.0305 Soluble
67 Y H -0.9690 Soluble
68 N H 0.0000 Buried
69 P H -1.5550 Soluble
70 S H -0.9226 Soluble
71 V H 0.0000 Buried
72 K H -2.1742 Soluble
74 G H -1.6641 Soluble
75 R H -1.6544 Soluble
76 I H 0.0000 Buried
77 T H -1.0675 Soluble
78 I H 0.0000 Buried
79 S H -0.7009 Soluble
80 R H -1.2612 Soluble
81 D H -2.0570 Soluble
82 D H -2.2969 Soluble
83 S H -2.0795 Soluble
84 K H -2.6860 Soluble
85 N H -1.5170 Soluble
86 T H 0.0000 Buried
87 F H 0.0000 Buried
88 Y H -0.7456 Soluble
89 L H 0.0000 Buried
90 Q H -1.8367 Soluble
91 M H 0.0000 Buried
92 N H -2.2780 Soluble
93 S H -1.6285 Soluble
94 L H 0.0000 Buried
95 R H -2.4232 Soluble
96 A H -1.6779 Soluble
97 E H -2.2104 Soluble
98 D H 0.0000 Buried
99 T H -0.6561 Soluble
100 A H 0.0000 Buried
101 V H 0.1928 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 -0.0154 Soluble
107 G H 0.0000 Buried
108 S H -0.2199 Soluble
109 H H -0.3676 Soluble
110 Y H 0.5412 Aggregation-prone
111 F H 1.4421 Aggregation-prone
112A G H 0.2484 Aggregation-prone
112 H H -0.0624 Soluble
113 W H -0.0501 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.2363 Soluble
117 V H -0.0957 Soluble
118 W H -0.4164 Soluble
119 G H 0.0000 Buried
120 Q H -1.4679 Soluble
121 G H -0.6649 Soluble
122 T H -0.1491 Soluble
123 L H 0.1535 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3094 Soluble
126 V H -0.8243 Soluble
127 S H -0.6668 Soluble
128 S H -0.6727 Soluble
129 A H -0.3820 Soluble
130 S H -0.5671 Soluble
131 T H -0.6210 Soluble
132 K H -1.2095 Soluble
133 G H -1.4212 Soluble
134 P H -0.6011 Soluble
135 S H -0.4022 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9918 Soluble
139 L H 0.0000 Buried
140 A H -1.2076 Soluble
141 P H 0.0000 Buried
142 S H -0.8377 Soluble
143 G H -0.7809 Soluble
144 G H -0.8742 Soluble
145 T H -0.5930 Soluble
146 A H -0.2919 Soluble
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 -0.3521 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H 0.0000 Buried
158 E H -0.5272 Soluble
159 P H -0.8022 Soluble
160 V H 0.0000 Buried
161 T H -0.7417 Soluble
162 V H 0.0000 Buried
163 S H -0.4321 Soluble
164 W H 0.0000 Buried
165 N H -0.6760 Soluble
166 S H -0.6296 Soluble
167 G H -0.5141 Soluble
168 A H -0.2166 Soluble
169 L H 0.0265 Aggregation-prone
170 T H -0.1464 Soluble
171 S H -0.1474 Soluble
172 G H -0.1467 Soluble
173 V H 0.1957 Aggregation-prone
174 H H -0.3092 Soluble
175 T H -0.2038 Soluble
176 F H 0.0000 Buried
177 P H -0.3887 Soluble
178 A H 0.1141 Aggregation-prone
179 V H 0.2781 Aggregation-prone
180 L H 0.9049 Aggregation-prone
181 Q H 0.1563 Aggregation-prone
182 S H -0.1182 Soluble
183 S H -0.2454 Soluble
184 G H -0.0231 Soluble
185 L H 0.1052 Aggregation-prone
186 Y H 0.3748 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 -0.1075 Soluble
194 V H 0.0000 Buried
195 P H -0.6263 Soluble
196 S H -0.6301 Soluble
197 S H -0.6275 Soluble
198 S H -0.5995 Soluble
199 L H -0.6852 Soluble
200 G H -0.9265 Soluble
201 T H -0.6754 Soluble
202 Q H -1.1677 Soluble
203 T H -1.0276 Soluble
204 Y H 0.0000 Buried
205 I H -1.1161 Soluble
206 C H 0.0000 Buried
207 N H -1.3319 Soluble
208 V H 0.0000 Buried
209 N H -1.8999 Soluble
210 H H 0.0000 Buried
211 K H -2.8069 Soluble
212 P H -1.6444 Soluble
213 S H -1.8511 Soluble
214 N H -2.5632 Soluble
215 T H -2.0903 Soluble
216 K H -2.6163 Soluble
217 V H -1.4658 Soluble
218 D H -2.0248 Soluble
219 K H -1.9146 Soluble
220 K H -2.2525 Soluble
221 V H 0.0000 Buried
222 E H -2.7658 Soluble
223 P H -2.0149 Soluble
224 K H -2.2235 Soluble
1 D L -2.7091 Soluble
2 I L 0.0000 Buried
3 Q L -2.2656 Soluble
4 L L 0.0000 Buried
5 T L -1.4134 Soluble
6 Q L 0.0000 Buried
7 S L -0.9226 Soluble
8 P L -0.5952 Soluble
9 S L -0.9531 Soluble
10 S L -0.9822 Soluble
11 L L -0.6647 Soluble
12 S L -0.8563 Soluble
13 A L -1.0234 Soluble
14 S L -1.1301 Soluble
15 V L -0.5120 Soluble
16 G L -1.5374 Soluble
17 D L -2.4511 Soluble
18 R L -2.8401 Soluble
19 V L 0.0000 Buried
20 T L -0.6370 Soluble
21 I L 0.0000 Buried
22 T L -0.8117 Soluble
23 C L 0.0000 Buried
24 R L -2.6267 Soluble
25 A L 0.0000 Buried
26 S L -1.7740 Soluble
27 Q L -1.7438 Soluble
28 S L -1.0302 Soluble
29 V L 0.0000 Buried
30 D L -1.1292 Soluble
31 Y L -0.3562 Soluble
34 D L -1.5552 Soluble
35 G L -1.3593 Soluble
36 D L -0.6787 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 -1.3647 Soluble
45 K L -1.8774 Soluble
46 P L -1.5240 Soluble
47 G L -1.8353 Soluble
48 K L -2.5722 Soluble
49 A L -1.6401 Soluble
50 P L 0.0000 Buried
51 K L -1.3946 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5704 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1929 Aggregation-prone
66 Y L 0.9398 Aggregation-prone
67 L L 0.5529 Aggregation-prone
68 E L -0.2265 Soluble
69 S L -0.3798 Soluble
70 G L -0.5696 Soluble
71 V L -0.4155 Soluble
72 P L -0.3895 Soluble
74 S L -0.6304 Soluble
75 R L -1.4015 Soluble
76 F L 0.0000 Buried
77 S L -0.1638 Soluble
78 G L -0.0676 Soluble
79 S L -0.4775 Soluble
80 G L -0.9354 Soluble
83 S L -1.1410 Soluble
84 G L -1.1104 Soluble
85 T L -1.5735 Soluble
86 D L -1.8639 Soluble
87 F L 0.0000 Buried
88 T L -0.7010 Soluble
89 L L 0.0000 Buried
90 T L -0.8494 Soluble
91 I L 0.0000 Buried
92 S L -2.2941 Soluble
93 R L -3.1139 Soluble
94 L L 0.0000 Buried
95 R L -2.1932 Soluble
96 P L -1.6602 Soluble
97 E L -1.5462 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
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 -1.0321 Soluble
109 E L -2.0517 Soluble
114 D L -2.6895 Soluble
115 P L -1.9809 Soluble
116 Y L 0.0000 Buried
117 T L -1.2419 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6910 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9216 Soluble
124 V L 0.0000 Buried
125 E L -1.1801 Soluble
126 I L 0.0000 Buried
127 K L -1.3122 Soluble
128 R L -0.8667 Soluble
129 T L -0.1611 Soluble
130 V L 0.3093 Aggregation-prone
131 A L 0.0776 Aggregation-prone
132 A L -0.1128 Soluble
133 P L 0.0000 Buried
134 S L -0.1794 Soluble
135 V L 0.0000 Buried
136 F L 0.0211 Aggregation-prone
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7980 Soluble
140 P L 0.0000 Buried
141 S L -1.5970 Soluble
142 D L -2.6961 Soluble
143 E L -2.3851 Soluble
144 Q L 0.0000 Buried
145 L L -2.0584 Soluble
146 K L -2.6504 Soluble
147 S L -1.6374 Soluble
148 G L -1.2766 Soluble
149 T L -1.0824 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 -0.8367 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.4299 Soluble
162 R L -2.3595 Soluble
163 E L -2.8558 Soluble
164 A L -2.1834 Soluble
165 K L -2.5450 Soluble
166 V L -1.1881 Soluble
167 Q L -0.4895 Soluble
168 W L 0.0000 Buried
169 K L -0.4221 Soluble
170 V L 0.0000 Buried
171 D L -1.9865 Soluble
172 N L -1.5270 Soluble
173 A L -0.1853 Soluble
174 L L 0.8141 Aggregation-prone
175 Q L 0.0026 Aggregation-prone
176 S L -0.4478 Soluble
177 G L -0.9331 Soluble
178 N L -0.8832 Soluble
179 S L -1.2153 Soluble
180 Q L -1.5834 Soluble
181 E L -2.1995 Soluble
182 S L -1.0516 Soluble
183 V L -0.8742 Soluble
184 T L -1.0732 Soluble
185 E L -2.2098 Soluble
186 Q L 0.0000 Buried
187 D L -1.9492 Soluble
188 S L -2.1182 Soluble
189 K L -2.5642 Soluble
190 D L -1.8115 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 -0.7132 Soluble
199 L L 0.0000 Buried
200 T L -0.4491 Soluble
201 L L -0.6306 Soluble
202 S L -0.9787 Soluble
203 K L -1.9359 Soluble
204 A L -1.7871 Soluble
205 D L -2.5251 Soluble
206 Y L 0.0000 Buried
207 E L -3.4648 Soluble
208 K L -3.6353 Soluble
209 H L -3.2648 Soluble
210 K L -3.4396 Soluble
211 V L -1.5696 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7021 Soluble
216 V L 0.0000 Buried
217 T L -1.2051 Soluble
218 H L 0.0000 Buried
219 Q L -1.6957 Soluble
220 G L -0.4896 Soluble
221 L L -0.2449 Soluble
222 S L -0.4624 Soluble
223 S L -0.4306 Soluble
224 P L -0.5181 Soluble
225 V L 0.0712 Aggregation-prone
226 T L -0.4426 Soluble
227 K L -0.7078 Soluble
228 S L -0.6529 Soluble
229 F L -1.1794 Soluble
230 N L -2.3065 Soluble
231 R L -2.7758 Soluble
232 G L -2.2786 Soluble
233 E L -2.6357 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7374 3.6946 CSV PDB
4.5 -0.7807 3.6569 CSV PDB
5.0 -0.8306 3.6178 CSV PDB
5.5 -0.8776 3.5898 CSV PDB
6.0 -0.9108 3.5846 CSV PDB
6.5 -0.9219 3.5978 CSV PDB
7.0 -0.9112 3.6051 CSV PDB
7.5 -0.8861 3.5893 CSV PDB
8.0 -0.8523 3.5555 CSV PDB
8.5 -0.8118 3.5168 CSV PDB
9.0 -0.7648 3.4841 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH