Omalizumab / 5g64

A4DAB191_5g64_H_L | Source PDB: 5g64 | Chains: H, L | Done
99.14
Yes
10 Å
Yes
Avg A4D Score
-0.712
Max Score
1.4253
Min Score
-3.368
Total Score
-307.59
Score CDR
-0.4254
Score non-CDR
-0.7512

Calculation Parameters

Chain Sequence(s) VQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISRLRPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNAPQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.368
Maximum Score 1.4253
Average Score -0.712
Total Score -307.5873

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

Index Residue Chain A4D Score Classification
2 V H 1.1446 Aggregation-prone
3 Q H -0.2041 Soluble
4 L H 0.0000 Buried
5 V H 0.4568 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.5666 Soluble
8 G H -1.0294 Soluble
9 G H -0.9282 Soluble
11 G H -0.4932 Soluble
12 L H -0.0599 Soluble
13 V H -0.4719 Soluble
14 Q H -1.4918 Soluble
15 P H -1.3725 Soluble
16 G H -1.3747 Soluble
17 G H -1.1063 Soluble
18 S H -1.3172 Soluble
19 L H 0.0000 Buried
20 R H -2.2967 Soluble
21 L H 0.0000 Buried
22 S H -0.5365 Soluble
23 C H 0.0000 Buried
24 A H -0.2419 Soluble
25 V H 0.0000 Buried
26 S H -0.0849 Soluble
27 G H 0.0556 Aggregation-prone
28 Y H 0.3625 Aggregation-prone
29 S H -0.3590 Soluble
30 I H 0.0000 Buried
31 T H -0.6383 Soluble
35 S H -0.1155 Soluble
36 G H 0.0493 Aggregation-prone
37 Y H 0.1645 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 -0.6718 Soluble
45 A H -1.1963 Soluble
46 P H -1.1603 Soluble
47 G H -1.4543 Soluble
48 K H -2.3494 Soluble
49 G H -1.5623 Soluble
50 L H 0.0000 Buried
51 E H -0.7256 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 S H -0.4275 Soluble
56 I H 0.0000 Buried
57 T H -0.2646 Soluble
58 Y H -0.0150 Soluble
59 D H -1.4348 Soluble
63 G H -1.0791 Soluble
64 S H -0.8932 Soluble
65 T H -0.8116 Soluble
66 N H -1.2266 Soluble
67 Y H -1.1894 Soluble
68 N H 0.0000 Buried
69 P H -1.2655 Soluble
70 S H -0.8793 Soluble
71 V H 0.0000 Buried
72 K H -2.1884 Soluble
74 G H -1.5296 Soluble
75 R H -1.3359 Soluble
76 I H 0.0000 Buried
77 T H -0.8756 Soluble
78 I H 0.0000 Buried
79 S H -0.5203 Soluble
80 R H -1.1197 Soluble
81 D H -1.9712 Soluble
82 D H -2.6144 Soluble
83 S H -2.1441 Soluble
84 K H -2.6169 Soluble
85 N H -1.9072 Soluble
86 T H 0.0000 Buried
87 F H 0.0000 Buried
88 Y H -0.6199 Soluble
89 L H 0.0000 Buried
90 Q H -1.4764 Soluble
91 M H 0.0000 Buried
92 N H -1.4977 Soluble
93 S H -1.2698 Soluble
94 L H 0.0000 Buried
95 R H -2.1789 Soluble
96 A H -1.6507 Soluble
97 E H -2.2071 Soluble
98 D H 0.0000 Buried
99 T H -0.6802 Soluble
100 A H 0.0000 Buried
101 V H 0.1373 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 -0.1267 Soluble
107 G H 0.0000 Buried
108 S H -0.3846 Soluble
109 H H -0.4264 Soluble
110 Y H 0.5804 Aggregation-prone
111 F H 1.3173 Aggregation-prone
112A G H 0.2892 Aggregation-prone
112 H H -0.0186 Soluble
113 W H 0.1575 Aggregation-prone
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H 0.0239 Aggregation-prone
117 V H 0.2415 Aggregation-prone
118 W H -0.4276 Soluble
119 G H 0.0000 Buried
120 Q H -1.3785 Soluble
121 G H -0.7535 Soluble
122 T H -0.2151 Soluble
123 L H 0.0102 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3796 Soluble
126 V H 0.0000 Buried
127 S H -0.6826 Soluble
128 S H -0.5856 Soluble
129 A H -0.4080 Soluble
130 S H -0.5194 Soluble
131 T H -0.4994 Soluble
132 K H -0.9613 Soluble
133 G H -1.2472 Soluble
134 P H 0.0000 Buried
135 S H -0.4395 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1421 Soluble
139 L H 0.0000 Buried
140 A H -1.2555 Soluble
141 P H -0.8414 Soluble
142 G H -0.7583 Soluble
143 G H -0.8505 Soluble
144 T H -0.5875 Soluble
145 A H 0.0000 Buried
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 -0.3878 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H 0.0000 Buried
157 E H -0.9628 Soluble
158 P H -0.8688 Soluble
159 V H -0.4669 Soluble
160 T H -0.4960 Soluble
161 V H 0.0085 Aggregation-prone
162 S H -0.2296 Soluble
163 W H 0.0000 Buried
164 N H -0.5708 Soluble
165 S H -0.5250 Soluble
166 G H -0.4007 Soluble
167 A H -0.1294 Soluble
168 L H 0.0919 Aggregation-prone
169 T H -0.0815 Soluble
170 S H -0.1360 Soluble
171 G H -0.1299 Soluble
172 V H 0.2761 Aggregation-prone
173 H H -0.3378 Soluble
174 T H -0.1867 Soluble
175 F H 0.0000 Buried
176 P H -0.3633 Soluble
177 A H 0.3516 Aggregation-prone
178 V H 0.6806 Aggregation-prone
179 L H 1.4253 Aggregation-prone
180 Q H 0.3063 Aggregation-prone
181 S H -0.3459 Soluble
182 S H -0.2915 Soluble
183 G H -0.1080 Soluble
184 L H 0.1617 Aggregation-prone
185 Y H 0.4252 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 -0.0974 Soluble
193 V H 0.0000 Buried
194 P H -0.4977 Soluble
195 S H -0.5795 Soluble
196 S H -0.6010 Soluble
197 S H -0.6283 Soluble
198 L H -0.8165 Soluble
199 G H -1.0452 Soluble
200 T H -0.8247 Soluble
201 Q H -1.4591 Soluble
202 T H -1.1383 Soluble
203 Y H 0.0000 Buried
204 I H -0.9489 Soluble
205 C H 0.0000 Buried
206 N H -1.2100 Soluble
207 V H 0.0000 Buried
208 N H -1.6792 Soluble
209 H H 0.0000 Buried
210 K H -2.7217 Soluble
211 P H -1.5685 Soluble
212 S H -1.6906 Soluble
213 N H -2.4166 Soluble
214 T H -2.0037 Soluble
215 K H -2.5103 Soluble
216 V H -1.3236 Soluble
217 D H -2.0628 Soluble
218 K H -1.9164 Soluble
219 K H -2.2949 Soluble
220 V H 0.0000 Buried
221 E H -2.8201 Soluble
222 P H -1.9421 Soluble
223 K H -2.5801 Soluble
224 S H -1.6301 Soluble
2 I L -0.7770 Soluble
3 Q L -1.3816 Soluble
4 L L -1.2692 Soluble
5 T L -1.4048 Soluble
6 Q L 0.0000 Buried
7 S L -0.8480 Soluble
8 P L -0.7511 Soluble
9 S L -1.0503 Soluble
10 S L -0.9972 Soluble
11 L L -0.6135 Soluble
12 S L -0.7490 Soluble
13 A L -1.0512 Soluble
14 S L -0.9797 Soluble
15 V L -0.3467 Soluble
16 G L -1.5951 Soluble
17 D L -2.9960 Soluble
18 R L -3.2369 Soluble
19 V L 0.0000 Buried
20 T L -0.5747 Soluble
21 I L 0.0000 Buried
22 T L -0.8613 Soluble
23 C L 0.0000 Buried
24 R L -2.4225 Soluble
25 A L -1.5473 Soluble
26 S L -1.1105 Soluble
27 Q L -1.3682 Soluble
28 S L -1.0849 Soluble
29 V L 0.0000 Buried
30 D L -1.9604 Soluble
31 Y L -0.7567 Soluble
34 D L -1.6148 Soluble
35 G L -1.5203 Soluble
36 D L -1.1704 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 -1.4870 Soluble
46 P L -1.5965 Soluble
47 G L -1.7122 Soluble
48 K L -2.4487 Soluble
49 A L -1.4928 Soluble
50 P L 0.0000 Buried
51 K L -0.9393 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.4863 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.0496 Aggregation-prone
66 Y L 0.7098 Aggregation-prone
67 L L 0.4735 Aggregation-prone
68 E L -0.1831 Soluble
69 S L -0.3704 Soluble
70 G L -0.5667 Soluble
71 V L -0.3379 Soluble
72 P L -0.3611 Soluble
74 S L -0.5974 Soluble
75 R L -1.2584 Soluble
76 F L 0.0000 Buried
77 S L -0.2048 Soluble
78 G L -0.1359 Soluble
79 S L -0.4880 Soluble
80 G L -0.8726 Soluble
83 S L -1.1294 Soluble
84 G L -1.3195 Soluble
85 T L -1.4816 Soluble
86 D L -1.7159 Soluble
87 F L 0.0000 Buried
88 T L -0.6755 Soluble
89 L L 0.0000 Buried
90 T L -0.8209 Soluble
91 I L 0.0000 Buried
92 S L -2.1879 Soluble
93 R L -3.0314 Soluble
94 L L 0.0000 Buried
95 R L -2.1682 Soluble
96 P L -1.6249 Soluble
97 E L -2.4590 Soluble
98 D L 0.0000 Buried
99 F L -1.3129 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 -1.3063 Soluble
109 E L -2.3206 Soluble
114 D L -2.4009 Soluble
115 P L -1.5871 Soluble
116 Y L -0.9477 Soluble
117 T L -0.8081 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.9156 Soluble
121 G L -1.4388 Soluble
122 T L 0.0000 Buried
123 K L -2.0248 Soluble
124 V L 0.0000 Buried
125 E L -1.3053 Soluble
126 I L 0.0000 Buried
127 K L -1.0624 Soluble
128 R L -0.5012 Soluble
129 T L 0.2912 Aggregation-prone
130 V L 0.9734 Aggregation-prone
131 A L 0.3857 Aggregation-prone
132 A L 0.1308 Aggregation-prone
133 P L 0.0170 Aggregation-prone
134 S L -0.0122 Soluble
135 V L 0.0000 Buried
136 F L 0.1062 Aggregation-prone
137 I L 0.0664 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4751 Soluble
140 P L 0.0000 Buried
141 S L -1.7595 Soluble
142 D L -2.9299 Soluble
143 E L -2.9161 Soluble
144 Q L 0.0000 Buried
145 L L -2.2807 Soluble
146 K L -2.8168 Soluble
147 S L -1.8652 Soluble
148 G L -1.3789 Soluble
149 T L -0.9440 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 -0.6610 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7344 Soluble
162 R L -3.1797 Soluble
163 E L -3.2718 Soluble
164 A L -2.4350 Soluble
165 K L -2.4958 Soluble
166 V L -1.2084 Soluble
167 Q L -1.1298 Soluble
168 W L 0.0000 Buried
169 K L -1.3708 Soluble
170 V L 0.0000 Buried
171 D L -2.0203 Soluble
172 N L -1.9559 Soluble
173 A L -1.1182 Soluble
174 P L -1.1222 Soluble
175 Q L -1.2592 Soluble
176 S L -1.2070 Soluble
177 G L -1.3466 Soluble
178 N L -1.7471 Soluble
179 S L -1.4780 Soluble
180 Q L -1.3996 Soluble
181 E L -1.3580 Soluble
182 S L -0.5436 Soluble
183 V L -0.6647 Soluble
184 T L -1.1693 Soluble
185 E L -2.2639 Soluble
186 Q L 0.0000 Buried
187 D L -2.1654 Soluble
188 S L -2.3023 Soluble
189 K L -2.6222 Soluble
190 D L -1.7480 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 -0.6722 Soluble
199 L L 0.0000 Buried
200 T L -0.6591 Soluble
201 L L -0.4576 Soluble
202 S L -0.7906 Soluble
203 K L -1.7106 Soluble
204 A L -1.6074 Soluble
205 D L -2.0842 Soluble
206 Y L 0.0000 Buried
207 E L -3.1963 Soluble
208 K L -3.3680 Soluble
209 H L -2.9108 Soluble
210 K L -3.2533 Soluble
211 V L -1.3313 Soluble
212 Y L 0.0000 Buried
213 A L -0.8657 Soluble
214 C L 0.0000 Buried
215 E L -0.9602 Soluble
216 V L 0.0000 Buried
217 T L -1.2905 Soluble
218 H L 0.0000 Buried
219 Q L -1.6991 Soluble
220 G L -0.2379 Soluble
221 L L -0.0391 Soluble
222 S L -0.4338 Soluble
223 S L -0.3305 Soluble
224 P L -0.2385 Soluble
225 V L 0.2779 Aggregation-prone
226 T L -0.4447 Soluble
227 K L -0.7969 Soluble
228 S L -0.7277 Soluble
229 F L -0.8275 Soluble
230 N L -1.8412 Soluble
231 R L -2.6454 Soluble
232 G L -2.4324 Soluble
233 E L -2.8120 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
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 -0.725 3.6723 CSV PDB
4.5 -0.7693 3.6288 CSV PDB
5.0 -0.8215 3.5834 CSV PDB
5.5 -0.8715 3.5532 CSV PDB
6.0 -0.9079 3.5479 CSV PDB
6.5 -0.9223 3.5526 CSV PDB
7.0 -0.9145 3.5398 CSV PDB
7.5 -0.892 3.501 CSV PDB
8.0 -0.8611 3.4474 CSV PDB
8.5 -0.8237 3.3918 CSV PDB
9.0 -0.7796 3.3449 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH