Omalizumab / 2xa8

A4DAB191_2xa8_H_L | Source PDB: 2xa8 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6634
Max Score
1.3051
Min Score
-3.3364
Total Score
-289.89
Score CDR
-0.4018
Score non-CDR
-0.6987

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.3364
Maximum Score 1.3051
Average Score -0.6634
Total Score -289.8919

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

Index Residue Chain A4D Score Classification
1 E H -2.0056 Soluble
2 V H -0.9610 Soluble
3 Q H -1.2664 Soluble
4 L H 0.0000 Buried
5 V H 0.7055 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4772 Soluble
8 G H -1.2259 Soluble
9 G H -0.8977 Soluble
11 G H -0.4180 Soluble
12 L H -0.0581 Soluble
13 V H -0.6417 Soluble
14 Q H -1.5876 Soluble
15 P H -1.7553 Soluble
16 G H -1.5495 Soluble
17 G H -1.2500 Soluble
18 S H -1.6084 Soluble
19 L H 0.0000 Buried
20 R H -2.4294 Soluble
21 L H 0.0000 Buried
22 S H -0.5170 Soluble
23 C H 0.0000 Buried
24 A H -0.1644 Soluble
25 V H 0.0000 Buried
26 S H -0.6250 Soluble
27 G H -1.0028 Soluble
28 Y H -0.3550 Soluble
29 S H -0.5747 Soluble
30 I H 0.0000 Buried
31 T H -0.5242 Soluble
35 S H 0.1126 Aggregation-prone
36 G H 0.0000 Buried
37 Y H 0.1925 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 -0.6394 Soluble
45 A H -0.9846 Soluble
46 P H -0.8699 Soluble
47 G H -1.2953 Soluble
48 K H -1.8982 Soluble
49 G H -1.2531 Soluble
50 L H 0.0000 Buried
51 E H -0.6698 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 -0.1885 Soluble
58 Y H 0.2366 Aggregation-prone
59 D H -1.3682 Soluble
63 G H -0.9672 Soluble
64 S H -0.7577 Soluble
65 T H -0.4958 Soluble
66 N H -0.6649 Soluble
67 Y H -0.7027 Soluble
68 N H 0.0000 Buried
69 P H -1.2366 Soluble
70 S H -0.8506 Soluble
71 V H 0.0000 Buried
72 K H -2.0412 Soluble
74 G H -1.5210 Soluble
75 R H -1.3208 Soluble
76 I H 0.0000 Buried
77 T H -0.7261 Soluble
78 I H 0.0000 Buried
79 S H -0.6512 Soluble
80 R H -1.4117 Soluble
81 D H -2.2358 Soluble
82 D H -2.6642 Soluble
83 S H -2.0985 Soluble
84 K H -2.7042 Soluble
85 N H -1.9760 Soluble
86 T H 0.0000 Buried
87 F H 0.0000 Buried
88 Y H -0.6594 Soluble
89 L H 0.0000 Buried
90 Q H -1.7089 Soluble
91 M H 0.0000 Buried
92 N H -1.8674 Soluble
93 S H -1.3824 Soluble
94 L H 0.0000 Buried
95 R H -2.3223 Soluble
96 A H -1.6098 Soluble
97 E H -2.0229 Soluble
98 D H 0.0000 Buried
99 T H -0.6274 Soluble
100 A H 0.0000 Buried
101 V H 0.0153 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 -0.1641 Soluble
107 G H 0.0000 Buried
108 S H 0.2060 Aggregation-prone
109 H H 0.1033 Aggregation-prone
110 Y H 1.3051 Aggregation-prone
111 F H 1.2429 Aggregation-prone
112A G H 0.3906 Aggregation-prone
112 H H 0.2180 Aggregation-prone
113 W H -0.2046 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.2348 Soluble
117 V H -0.2401 Soluble
118 W H -0.4878 Soluble
119 G H 0.0000 Buried
120 Q H -1.3600 Soluble
121 G H -0.6403 Soluble
122 T H -0.1636 Soluble
123 L H 0.1012 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3987 Soluble
126 V H 0.0000 Buried
127 S H -0.7335 Soluble
128 S H -0.6567 Soluble
129 A H -0.4556 Soluble
130 S H -0.6013 Soluble
131 T H -0.8376 Soluble
132 K H -1.4445 Soluble
133 G H -1.5479 Soluble
134 P H -0.7125 Soluble
135 S H -0.4809 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.6588 Soluble
139 L H 0.0000 Buried
140 A H 0.0144 Aggregation-prone
141 P H -0.0385 Soluble
142 S H -0.4175 Soluble
143 S H -0.5756 Soluble
144 K H -0.7547 Soluble
145 S H 0.0000 Buried
146 T H -0.6637 Soluble
147 S H -0.7435 Soluble
148 G H -0.8693 Soluble
149 G H -0.8671 Soluble
150 T H -0.5825 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 -0.5590 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.3365 Soluble
164 P H -0.5454 Soluble
165 V H -0.5537 Soluble
166 T H -0.5015 Soluble
167 V H -0.3137 Soluble
168 S H -0.3486 Soluble
169 W H 0.0000 Buried
170 N H -0.7176 Soluble
171 S H -0.6405 Soluble
172 G H -0.5164 Soluble
173 A H -0.2616 Soluble
174 L H -0.0119 Soluble
175 T H -0.1863 Soluble
176 S H -0.3604 Soluble
177 G H -0.3310 Soluble
178 V H 0.1427 Aggregation-prone
179 H H -0.2440 Soluble
180 T H -0.0970 Soluble
181 F H 0.0000 Buried
182 P H -0.2393 Soluble
183 A H 0.1583 Aggregation-prone
184 V H 0.4664 Aggregation-prone
185 L H 1.1003 Aggregation-prone
186 Q H 0.2291 Aggregation-prone
187 S H -0.0877 Soluble
188 S H -0.2414 Soluble
189 G H -0.0031 Soluble
190 L H 0.0494 Aggregation-prone
191 Y H 0.3703 Aggregation-prone
192 S H 0.0000 Buried
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 -0.1259 Soluble
199 V H 0.0000 Buried
200 P H -0.5472 Soluble
201 S H -0.4858 Soluble
202 S H -0.4998 Soluble
203 S H -0.4577 Soluble
204 L H -0.1250 Soluble
205 G H -0.5585 Soluble
206 T H -0.6086 Soluble
207 Q H -0.8627 Soluble
208 T H -0.5842 Soluble
209 Y H 0.0000 Buried
210 I H -0.7911 Soluble
211 C H 0.0000 Buried
212 N H -1.3895 Soluble
213 V H 0.0000 Buried
214 N H -1.7709 Soluble
215 H H 0.0000 Buried
216 K H -2.7472 Soluble
217 P H -1.6073 Soluble
218 S H -1.8686 Soluble
219 N H -2.6205 Soluble
220 T H -2.0963 Soluble
221 K H -2.6275 Soluble
222 V H -1.5457 Soluble
223 D H -2.3873 Soluble
224 K H -1.7517 Soluble
225 K H -1.7439 Soluble
226 V H -0.3705 Soluble
1 D L -2.7620 Soluble
2 I L 0.0000 Buried
3 Q L -2.3694 Soluble
4 L L 0.0000 Buried
5 T L -1.2517 Soluble
6 Q L 0.0000 Buried
7 S L -0.7473 Soluble
8 P L -0.4103 Soluble
9 S L -0.6272 Soluble
10 S L -0.5207 Soluble
11 L L -0.4254 Soluble
12 S L -0.7375 Soluble
13 A L -1.2657 Soluble
14 S L -1.2719 Soluble
15 V L -0.3511 Soluble
16 G L -1.0925 Soluble
17 D L -2.5862 Soluble
18 R L -2.7200 Soluble
19 V L 0.0000 Buried
20 T L -0.5276 Soluble
21 I L 0.0000 Buried
22 T L -0.9268 Soluble
23 C L 0.0000 Buried
24 R L -2.8708 Soluble
25 A L 0.0000 Buried
26 S L -2.1317 Soluble
27 Q L -2.4059 Soluble
28 S L -1.3320 Soluble
29 V L 0.0000 Buried
30 D L -1.1142 Soluble
31 Y L -0.3159 Soluble
34 D L -1.6919 Soluble
35 G L -1.3361 Soluble
36 D L -0.9293 Soluble
37 S L 0.0000 Buried
38 Y L -0.1723 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 -1.2528 Soluble
45 K L -1.6537 Soluble
46 P L -1.2500 Soluble
47 G L -1.4751 Soluble
48 K L -2.3779 Soluble
49 A L -1.5683 Soluble
50 P L 0.0000 Buried
51 K L -1.7870 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.6578 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1443 Aggregation-prone
66 Y L 1.0013 Aggregation-prone
67 L L 0.6830 Aggregation-prone
68 E L -0.1454 Soluble
69 S L -0.3030 Soluble
70 G L -0.5278 Soluble
71 V L -0.4300 Soluble
72 P L -0.4145 Soluble
74 S L -0.4641 Soluble
75 R L -0.7739 Soluble
76 F L 0.0000 Buried
77 S L -0.1382 Soluble
78 G L 0.0000 Buried
79 S L -0.5837 Soluble
80 G L -1.1477 Soluble
83 S L -1.3327 Soluble
84 G L -1.3170 Soluble
85 T L -1.9345 Soluble
86 D L -2.4018 Soluble
87 F L 0.0000 Buried
88 T L -0.8283 Soluble
89 L L 0.0000 Buried
90 T L -0.5855 Soluble
91 I L 0.0000 Buried
92 S L -1.4850 Soluble
93 S L -1.4754 Soluble
94 L L 0.0000 Buried
95 Q L -1.2508 Soluble
96 P L -1.6956 Soluble
97 E L -2.4931 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 -1.3300 Soluble
109 E L -2.4805 Soluble
114 D L -2.2626 Soluble
115 P L -1.4976 Soluble
116 Y L 0.0000 Buried
117 T L -1.0995 Soluble
118 F L -0.3287 Soluble
119 G L 0.0000 Buried
120 Q L -1.1645 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -0.6987 Soluble
124 V L 0.0000 Buried
125 E L -1.0560 Soluble
126 I L 0.0000 Buried
127 K L -1.8451 Soluble
128 R L -0.9810 Soluble
129 T L -0.2085 Soluble
130 V L 0.2484 Aggregation-prone
131 A L 0.1487 Aggregation-prone
132 A L -0.0903 Soluble
133 P L 0.0000 Buried
134 S L -0.2178 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.5068 Soluble
140 P L 0.0000 Buried
141 S L -1.4097 Soluble
142 D L -2.7352 Soluble
143 E L -2.7010 Soluble
144 Q L 0.0000 Buried
145 L L -2.1872 Soluble
146 K L -2.7892 Soluble
147 S L -1.7847 Soluble
148 G L -1.3572 Soluble
149 T L -1.2381 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 -0.6511 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7081 Soluble
162 R L -2.5202 Soluble
163 E L -3.0630 Soluble
164 A L -2.2461 Soluble
165 K L -2.2960 Soluble
166 V L -1.1161 Soluble
167 Q L -0.7667 Soluble
168 W L 0.0000 Buried
169 K L -0.7116 Soluble
170 V L 0.0000 Buried
171 D L -1.9796 Soluble
172 N L -1.6039 Soluble
173 A L -0.4616 Soluble
174 L L 0.1986 Aggregation-prone
175 Q L -0.3317 Soluble
176 S L -0.5556 Soluble
177 G L -0.8832 Soluble
178 N L -0.6946 Soluble
179 S L -1.0583 Soluble
180 Q L -1.2060 Soluble
181 E L -1.5349 Soluble
182 S L -0.8084 Soluble
183 V L -0.8718 Soluble
184 T L -0.8710 Soluble
185 E L -1.6009 Soluble
186 Q L 0.0000 Buried
187 D L -1.9123 Soluble
188 S L -2.1772 Soluble
189 K L -2.4514 Soluble
190 D L -1.6738 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 -0.5546 Soluble
199 L L 0.0000 Buried
200 T L -0.4024 Soluble
201 L L -0.5742 Soluble
202 S L -1.1608 Soluble
203 K L -1.9461 Soluble
204 A L -1.7272 Soluble
205 D L -2.3795 Soluble
206 Y L 0.0000 Buried
207 E L -2.8225 Soluble
208 K L -3.3364 Soluble
209 H L -2.8600 Soluble
210 K L -3.1567 Soluble
211 V L -1.5729 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7026 Soluble
216 V L 0.0000 Buried
217 T L -1.2423 Soluble
218 H L 0.0000 Buried
219 Q L -1.7260 Soluble
220 G L -0.4306 Soluble
221 L L -0.2411 Soluble
222 S L -0.4597 Soluble
223 S L -0.4386 Soluble
224 P L -0.5971 Soluble
225 V L 0.0516 Aggregation-prone
226 T L -0.3506 Soluble
227 K L -0.5795 Soluble
228 S L -0.5721 Soluble
229 F L 0.0000 Buried
230 N L -2.0643 Soluble
231 R L -2.3970 Soluble
232 G L -1.9333 Soluble
233 E L -2.2703 Soluble
234 C L -1.0822 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 -0.6715 1.9278 CSV PDB
4.5 -0.715 1.9212 CSV PDB
5.0 -0.7642 1.9198 CSV PDB
5.5 -0.8103 1.9314 CSV PDB
6.0 -0.8438 1.9578 CSV PDB
6.5 -0.8578 1.9891 CSV PDB
7.0 -0.8526 2.0124 CSV PDB
7.5 -0.8346 2.0215 CSV PDB
8.0 -0.8087 2.0181 CSV PDB
8.5 -0.7759 2.0071 CSV PDB
9.0 -0.7359 1.9899 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH