Omalizumab / 4x7t

A4DAB191_4x7t_H_L | Source PDB: 4x7t | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6967
Max Score
1.428
Min Score
-3.5176
Total Score
-306.56
Score CDR
-0.3209
Score non-CDR
-0.7471

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.5176
Maximum Score 1.428
Average Score -0.6967
Total Score -306.5581

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

Index Residue Chain A4D Score Classification
1 E H -2.1367 Soluble
2 V H -1.3370 Soluble
3 Q H -1.3268 Soluble
4 L H 0.0000 Buried
5 V H 1.1051 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.3775 Soluble
8 G H -1.1703 Soluble
9 G H -0.8655 Soluble
11 G H -0.3558 Soluble
12 L H -0.0433 Soluble
13 V H -0.6106 Soluble
14 Q H -1.5429 Soluble
15 P H -1.4601 Soluble
16 G H -1.4363 Soluble
17 G H -1.2438 Soluble
18 S H -1.6251 Soluble
19 L H 0.0000 Buried
20 R H -2.5059 Soluble
21 L H 0.0000 Buried
22 S H -0.5503 Soluble
23 C H 0.0000 Buried
24 A H 0.0003 Aggregation-prone
25 V H 0.0000 Buried
26 S H -0.7519 Soluble
27 G H -1.1686 Soluble
28 Y H -0.4562 Soluble
29 S H -0.6070 Soluble
30 I H 0.0000 Buried
31 T H -0.5467 Soluble
35 S H 0.1296 Aggregation-prone
36 G H 0.0000 Buried
37 Y H 0.2622 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 -0.6426 Soluble
45 A H -1.1421 Soluble
46 P H -1.0461 Soluble
47 G H -1.6013 Soluble
48 K H -2.4988 Soluble
49 G H -1.4956 Soluble
50 L H 0.0000 Buried
51 E H -0.7608 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 -0.1515 Soluble
58 Y H 0.3376 Aggregation-prone
59 D H -1.3181 Soluble
63 G H -0.9102 Soluble
64 S H -0.7151 Soluble
65 T H -0.4939 Soluble
66 N H -0.8566 Soluble
67 Y H -0.9381 Soluble
68 N H 0.0000 Buried
69 P H -1.4448 Soluble
70 S H -0.9068 Soluble
71 V H 0.0000 Buried
72 K H -2.1954 Soluble
74 G H -1.5967 Soluble
75 R H -1.5371 Soluble
76 I H 0.0000 Buried
77 T H -1.1105 Soluble
78 I H 0.0000 Buried
79 S H -0.7944 Soluble
80 R H -1.4956 Soluble
81 D H -2.1607 Soluble
82 D H -2.7230 Soluble
83 S H -2.1369 Soluble
84 K H -2.6419 Soluble
85 N H -1.9459 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 -1.7780 Soluble
91 M H 0.0000 Buried
92 N H -1.8660 Soluble
93 S H -1.3664 Soluble
94 L H 0.0000 Buried
95 R H -2.4341 Soluble
96 A H -1.7077 Soluble
97 E H -2.4412 Soluble
98 D H 0.0000 Buried
99 T H -0.6836 Soluble
100 A H 0.0000 Buried
101 V H 0.2737 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 -0.1624 Soluble
107 G H 0.0000 Buried
108 S H 0.0000 Buried
109 H H 0.2310 Aggregation-prone
110 Y H 1.4280 Aggregation-prone
111 F H 1.3811 Aggregation-prone
112A G H 0.5810 Aggregation-prone
112 H H 0.2996 Aggregation-prone
113 W H -0.0246 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.1427 Soluble
117 V H -0.2255 Soluble
118 W H -0.3976 Soluble
119 G H 0.0000 Buried
120 Q H -1.1956 Soluble
121 G H -0.5072 Soluble
122 T H -0.0304 Soluble
123 L H 0.2056 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3742 Soluble
126 V H 0.0000 Buried
127 S H -0.6775 Soluble
128 S H -0.5816 Soluble
129 A H -0.4852 Soluble
130 S H -0.6678 Soluble
131 T H -0.9716 Soluble
132 K H -1.7169 Soluble
133 G H -1.7045 Soluble
134 P H -0.7777 Soluble
135 S H -0.4940 Soluble
136 V H 0.0000 Buried
137 F H -0.5868 Soluble
138 P H -1.1505 Soluble
139 L H 0.0000 Buried
140 A H -1.1954 Soluble
141 P H 0.0000 Buried
142 S H -1.3347 Soluble
143 S H -1.3855 Soluble
144 K H -2.1318 Soluble
145 S H -1.3425 Soluble
146 T H -0.8605 Soluble
147 S H -0.7777 Soluble
148 G H -1.0956 Soluble
149 G H -0.8142 Soluble
150 T H -0.4722 Soluble
151 A H 0.0000 Buried
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.6677 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.2593 Soluble
164 P H -0.4909 Soluble
165 V H -0.5623 Soluble
166 T H -0.4784 Soluble
167 V H -0.1735 Soluble
168 S H -0.3846 Soluble
169 W H 0.0000 Buried
170 N H -0.7626 Soluble
171 S H -0.6691 Soluble
172 G H -0.5315 Soluble
173 A H -0.2622 Soluble
174 L H -0.0570 Soluble
175 T H -0.2009 Soluble
176 S H -0.4117 Soluble
177 G H -0.4528 Soluble
178 V H 0.1347 Aggregation-prone
179 H H 0.0000 Buried
180 T H -0.0858 Soluble
181 F H 0.0000 Buried
182 P H -0.2113 Soluble
183 A H 0.3068 Aggregation-prone
184 V H 0.5493 Aggregation-prone
185 L H 1.3352 Aggregation-prone
186 Q H 0.2205 Aggregation-prone
187 S H -0.0656 Soluble
188 S H -0.2500 Soluble
189 G H -0.0086 Soluble
190 L H 0.0148 Aggregation-prone
191 Y H 0.4609 Aggregation-prone
192 S H 0.2980 Aggregation-prone
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1294 Soluble
199 V H 0.0000 Buried
200 P H -0.5325 Soluble
201 S H -0.8847 Soluble
202 S H -0.6242 Soluble
203 S H -0.5541 Soluble
204 L H -1.0193 Soluble
205 G H -0.9776 Soluble
206 T H -0.6655 Soluble
207 Q H -1.0945 Soluble
208 T H -1.0387 Soluble
209 Y H 0.0000 Buried
210 I H -1.2717 Soluble
211 C H 0.0000 Buried
212 N H -1.3020 Soluble
213 V H 0.0000 Buried
214 N H -1.8184 Soluble
215 H H 0.0000 Buried
216 K H -2.7415 Soluble
217 P H -1.6456 Soluble
218 S H -1.9516 Soluble
219 N H -2.6430 Soluble
220 T H -2.1185 Soluble
221 K H -2.6166 Soluble
222 V H -1.5256 Soluble
223 D H -2.4866 Soluble
224 K H -1.9825 Soluble
225 K H -2.4950 Soluble
226 V H 0.0000 Buried
227 E H -2.8236 Soluble
228 P H -2.2130 Soluble
229 K H -2.4011 Soluble
1 D L -2.6073 Soluble
2 I L 0.0000 Buried
3 Q L -2.3060 Soluble
4 L L 0.0000 Buried
5 T L -1.4222 Soluble
6 Q L 0.0000 Buried
7 S L -0.7354 Soluble
8 P L -0.6029 Soluble
9 S L -0.9498 Soluble
10 S L -0.9798 Soluble
11 L L -0.6321 Soluble
12 S L -0.6967 Soluble
13 A L -1.1853 Soluble
14 S L -1.3048 Soluble
15 V L -0.6556 Soluble
16 G L -1.3762 Soluble
17 D L -2.6727 Soluble
18 R L -2.8417 Soluble
19 V L 0.0000 Buried
20 T L -0.7253 Soluble
21 I L 0.0000 Buried
22 T L -0.8508 Soluble
23 C L 0.0000 Buried
24 R L -2.7286 Soluble
25 A L 0.0000 Buried
26 S L -1.9957 Soluble
27 Q L -2.3155 Soluble
28 S L -1.3369 Soluble
29 V L 0.0000 Buried
30 D L -1.1554 Soluble
31 Y L -0.3144 Soluble
34 D L -1.6783 Soluble
35 G L -1.3118 Soluble
36 D L -0.8113 Soluble
37 S L 0.0000 Buried
38 Y L -0.0724 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 -1.3072 Soluble
45 K L -1.8005 Soluble
46 P L -1.4252 Soluble
47 G L -1.7804 Soluble
48 K L -2.5138 Soluble
49 A L -1.5732 Soluble
50 P L 0.0000 Buried
51 K L -1.2958 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.7626 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1608 Aggregation-prone
66 Y L 1.0008 Aggregation-prone
67 L L 0.6367 Aggregation-prone
68 E L -0.1200 Soluble
69 S L -0.3252 Soluble
70 G L -0.5285 Soluble
71 V L -0.3608 Soluble
72 P L -0.3661 Soluble
74 S L -0.4621 Soluble
75 R L -0.8092 Soluble
76 F L 0.0000 Buried
77 S L -0.1928 Soluble
78 G L -0.0711 Soluble
79 S L -0.5412 Soluble
80 G L -1.0019 Soluble
83 S L -1.0391 Soluble
84 G L -1.1889 Soluble
85 T L -1.7925 Soluble
86 D L -2.0982 Soluble
87 F L 0.0000 Buried
88 T L -0.7575 Soluble
89 L L 0.0000 Buried
90 T L -0.6168 Soluble
91 I L 0.0000 Buried
92 S L -1.5162 Soluble
93 S L -1.6628 Soluble
94 L L 0.0000 Buried
95 Q L -1.3570 Soluble
96 P L -1.4749 Soluble
97 E L -1.9378 Soluble
98 D L 0.0000 Buried
99 F L -1.0882 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 -0.9900 Soluble
109 E L -1.6285 Soluble
114 D L -1.8635 Soluble
115 P L 0.0000 Buried
116 Y L 0.0000 Buried
117 T L -1.0979 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.6295 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.9784 Soluble
124 V L 0.0000 Buried
125 E L -1.2986 Soluble
126 I L 0.0000 Buried
127 K L -1.1150 Soluble
128 R L -0.6172 Soluble
129 T L 0.3525 Aggregation-prone
130 V L 1.2286 Aggregation-prone
131 A L 0.4933 Aggregation-prone
132 A L 0.0573 Aggregation-prone
133 P L 0.0000 Buried
134 S L -0.1339 Soluble
135 V L 0.0000 Buried
136 F L 0.1583 Aggregation-prone
137 I L 0.1155 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5096 Soluble
140 P L 0.0000 Buried
141 S L -1.6553 Soluble
142 D L -2.7231 Soluble
143 E L -2.5717 Soluble
144 Q L 0.0000 Buried
145 L L -2.1366 Soluble
146 K L -2.6442 Soluble
147 S L -1.6650 Soluble
148 G L -1.2575 Soluble
149 T L -0.8843 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 -0.7837 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6276 Soluble
162 R L -3.1652 Soluble
163 E L -3.1875 Soluble
164 A L -2.1527 Soluble
165 K L -2.0113 Soluble
166 V L -0.9326 Soluble
167 Q L -0.6699 Soluble
168 W L 0.0000 Buried
169 K L -0.6880 Soluble
170 V L 0.0000 Buried
171 D L -1.3640 Soluble
172 N L -1.2785 Soluble
173 A L -0.4076 Soluble
174 L L 0.1987 Aggregation-prone
175 Q L -0.4054 Soluble
176 S L -0.5339 Soluble
177 G L -0.9561 Soluble
178 N L -0.8845 Soluble
179 S L -1.3091 Soluble
180 Q L -1.6691 Soluble
181 E L -1.9187 Soluble
182 S L -0.9708 Soluble
183 V L -0.7385 Soluble
184 T L 0.0000 Buried
185 E L -1.9330 Soluble
186 Q L 0.0000 Buried
187 D L -1.7910 Soluble
188 S L -1.9983 Soluble
189 K L -2.3565 Soluble
190 D L -1.6201 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 -0.7597 Soluble
199 L L 0.0000 Buried
200 T L -0.4844 Soluble
201 L L -0.6610 Soluble
202 S L -1.0676 Soluble
203 K L -2.0783 Soluble
204 A L -1.8849 Soluble
205 D L -2.5422 Soluble
206 Y L 0.0000 Buried
207 E L -3.4135 Soluble
208 K L -3.5176 Soluble
209 H L -2.9025 Soluble
210 K L -3.0838 Soluble
211 V L -1.4306 Soluble
212 Y L 0.0000 Buried
213 A L -0.6559 Soluble
214 C L 0.0000 Buried
215 E L -0.8710 Soluble
216 V L 0.0000 Buried
217 T L -1.1163 Soluble
218 H L 0.0000 Buried
219 Q L -1.6316 Soluble
220 G L -0.3099 Soluble
221 L L -0.2298 Soluble
222 S L -0.4870 Soluble
223 S L -0.4557 Soluble
224 P L -0.5405 Soluble
225 V L -0.0564 Soluble
226 T L -0.4698 Soluble
227 K L -0.7135 Soluble
228 S L -0.6467 Soluble
229 F L 0.0000 Buried
230 N L -1.9151 Soluble
231 R L -2.4624 Soluble
232 G L -2.2699 Soluble
233 E L -2.2290 Soluble
234 C L -0.8856 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 -0.7567 2.2151 CSV PDB
4.5 -0.8006 2.2086 CSV PDB
5.0 -0.8516 2.2063 CSV PDB
5.5 -0.8994 2.2152 CSV PDB
6.0 -0.9327 2.2373 CSV PDB
6.5 -0.9429 2.2647 CSV PDB
7.0 -0.9305 2.2864 CSV PDB
7.5 -0.9034 2.296 CSV PDB
8.0 -0.8684 2.2939 CSV PDB
8.5 -0.8273 2.2842 CSV PDB
9.0 -0.7798 2.2685 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH