Omalizumab / 5hys

A4DAB191_5hys_H_L | Source PDB: 5hys | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7214
Max Score
1.4091
Min Score
-3.3929
Total Score
-316.7
Score CDR
-0.4672
Score non-CDR
-0.7556

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.3929
Maximum Score 1.4091
Average Score -0.7214
Total Score -316.7002

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

Index Residue Chain A4D Score Classification
1 E H -2.0403 Soluble
2 V H -1.2003 Soluble
3 Q H -1.3642 Soluble
4 L H 0.0000 Buried
5 V H 0.5693 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4457 Soluble
8 G H -1.1171 Soluble
9 G H -0.8126 Soluble
11 G H -0.4501 Soluble
12 L H -0.3101 Soluble
13 V H 0.0000 Buried
14 Q H -1.6249 Soluble
15 P H -1.5440 Soluble
16 G H -1.4866 Soluble
17 G H -1.3416 Soluble
18 S H -1.6236 Soluble
19 L H 0.0000 Buried
20 R H -2.4707 Soluble
21 L H 0.0000 Buried
22 S H -0.7162 Soluble
23 C H 0.0000 Buried
24 A H -0.2468 Soluble
25 V H 0.0000 Buried
26 S H -0.8748 Soluble
27 G H -1.1084 Soluble
28 Y H -0.4022 Soluble
29 S H -0.4357 Soluble
30 I H 0.0000 Buried
31 T H -0.6302 Soluble
35 S H -0.1405 Soluble
36 G H 0.0000 Buried
37 Y H 0.2146 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 -0.6826 Soluble
45 A H -1.1758 Soluble
46 P H -1.2247 Soluble
47 G H -1.5768 Soluble
48 K H -2.3960 Soluble
49 G H -1.6559 Soluble
50 L H 0.0000 Buried
51 E H -0.8017 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 S H -0.2741 Soluble
56 I H 0.0000 Buried
57 T H -0.3612 Soluble
58 Y H -0.1125 Soluble
59 D H -1.4786 Soluble
63 G H -1.0326 Soluble
64 S H -0.7604 Soluble
65 T H -0.5668 Soluble
66 N H -1.0253 Soluble
67 Y H -0.9881 Soluble
68 N H 0.0000 Buried
69 P H -1.4055 Soluble
70 S H -0.9878 Soluble
71 V H 0.0000 Buried
72 K H -2.2343 Soluble
74 G H -1.7046 Soluble
75 R H -1.7690 Soluble
76 I H 0.0000 Buried
77 T H -1.0930 Soluble
78 I H 0.0000 Buried
79 S H -0.7896 Soluble
80 R H -1.5132 Soluble
81 D H -2.1032 Soluble
82 D H -2.5911 Soluble
83 S H -2.0288 Soluble
84 K H -2.6154 Soluble
85 N H -1.9612 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 -1.6928 Soluble
91 M H 0.0000 Buried
92 N H -2.2606 Soluble
93 S H -1.5919 Soluble
94 L H 0.0000 Buried
95 R H -2.4177 Soluble
96 A H -1.6912 Soluble
97 E H -2.2603 Soluble
98 D H 0.0000 Buried
99 T H -0.7386 Soluble
100 A H 0.0000 Buried
101 V H 0.2818 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 -0.1265 Soluble
107 G H 0.0000 Buried
108 S H -0.2648 Soluble
109 H H -0.4319 Soluble
110 Y H 0.5377 Aggregation-prone
111 F H 1.4091 Aggregation-prone
112A G H 0.3533 Aggregation-prone
112 H H -0.3077 Soluble
113 W H 0.0142 Aggregation-prone
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.2251 Soluble
117 V H -0.0487 Soluble
118 W H -0.4568 Soluble
119 G H 0.0000 Buried
120 Q H -1.4951 Soluble
121 G H 0.0000 Buried
122 T H -0.0627 Soluble
123 L H 0.2255 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4434 Soluble
126 V H 0.0000 Buried
127 S H -0.7295 Soluble
128 S H -0.6365 Soluble
129 A H -0.4635 Soluble
130 S H -0.6362 Soluble
131 T H -0.8424 Soluble
132 K H -1.4547 Soluble
133 G H -1.6121 Soluble
134 P H 0.0000 Buried
135 S H -0.5878 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1790 Soluble
139 L H 0.0000 Buried
140 A H -1.2350 Soluble
141 P H 0.0000 Buried
142 S H -1.2802 Soluble
143 S H -0.7430 Soluble
144 K H -0.7354 Soluble
145 S H 0.0000 Buried
146 T H -0.5333 Soluble
147 S H -0.6737 Soluble
148 G H -0.8674 Soluble
149 G H -0.9133 Soluble
150 T H -0.6176 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 -0.5169 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.3273 Soluble
164 P H -0.5978 Soluble
165 V H -0.6946 Soluble
166 T H -0.6538 Soluble
167 V H -0.2490 Soluble
168 S H -0.3933 Soluble
169 W H 0.0000 Buried
170 N H -0.6971 Soluble
171 S H -0.6366 Soluble
172 G H -0.5558 Soluble
173 A H -0.2318 Soluble
174 L H 0.0383 Aggregation-prone
175 T H -0.1692 Soluble
176 S H -0.1919 Soluble
177 G H -0.2397 Soluble
178 V H 0.1520 Aggregation-prone
179 H H -0.2938 Soluble
180 T H -0.0025 Soluble
181 F H 0.0000 Buried
182 P H -0.2780 Soluble
183 A H 0.3134 Aggregation-prone
184 V H 0.6450 Aggregation-prone
185 L H 1.1587 Aggregation-prone
186 Q H 0.2834 Aggregation-prone
187 S H -0.0999 Soluble
188 S H -0.2394 Soluble
189 G H -0.0033 Soluble
190 L H 0.1105 Aggregation-prone
191 Y H 0.4352 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 -0.1958 Soluble
199 V H 0.0000 Buried
200 P H -0.6448 Soluble
201 S H -0.6908 Soluble
202 S H -0.5923 Soluble
203 S H -0.6156 Soluble
204 L H -0.9445 Soluble
205 G H -0.9350 Soluble
206 T H -0.6489 Soluble
207 Q H -1.0407 Soluble
208 T H -0.9555 Soluble
209 Y H 0.0000 Buried
210 I H -1.1024 Soluble
211 C H 0.0000 Buried
212 N H -1.5729 Soluble
213 V H 0.0000 Buried
214 N H -2.2159 Soluble
215 H H 0.0000 Buried
216 K H -2.7981 Soluble
217 P H -1.6872 Soluble
218 S H -1.9146 Soluble
219 N H -2.7014 Soluble
220 T H -2.2619 Soluble
221 K H -2.8482 Soluble
222 V H -1.8784 Soluble
223 D H -2.6924 Soluble
224 K H -2.1913 Soluble
225 K H -2.3726 Soluble
226 V H 0.0000 Buried
227 E H -2.6888 Soluble
228 P H -1.8304 Soluble
229 K H -2.4340 Soluble
1 D L -2.8433 Soluble
2 I L 0.0000 Buried
3 Q L -2.2100 Soluble
4 L L 0.0000 Buried
5 T L -1.0730 Soluble
6 Q L 0.0000 Buried
7 S L -0.7985 Soluble
8 P L -0.5906 Soluble
9 S L -0.9545 Soluble
10 S L -1.0907 Soluble
11 L L -0.7803 Soluble
12 S L -1.0124 Soluble
13 A L -1.2659 Soluble
14 S L -1.2326 Soluble
15 V L -0.4382 Soluble
16 G L -1.2986 Soluble
17 D L -2.5340 Soluble
18 R L -2.7374 Soluble
19 V L 0.0000 Buried
20 T L -0.6722 Soluble
21 I L 0.0000 Buried
22 T L -0.7022 Soluble
23 C L 0.0000 Buried
24 R L -2.0747 Soluble
25 A L 0.0000 Buried
26 S L -1.8508 Soluble
27 Q L -2.2052 Soluble
28 S L -1.3254 Soluble
29 V L 0.0000 Buried
30 D L -1.3434 Soluble
31 Y L -0.5432 Soluble
34 D L -1.6200 Soluble
35 G L -1.4059 Soluble
36 D L -0.8423 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 -1.2676 Soluble
45 K L -1.7207 Soluble
46 P L -1.4835 Soluble
47 G L -1.8201 Soluble
48 K L -2.5494 Soluble
49 A L -1.6114 Soluble
50 P L 0.0000 Buried
51 K L -1.3790 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5211 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.0693 Aggregation-prone
66 Y L 0.8110 Aggregation-prone
67 L L 0.6803 Aggregation-prone
68 E L -0.1308 Soluble
69 S L -0.3312 Soluble
70 G L -0.5165 Soluble
71 V L -0.3396 Soluble
72 P L -0.3259 Soluble
74 S L -0.4420 Soluble
75 R L -0.8164 Soluble
76 F L 0.0000 Buried
77 S L -0.1886 Soluble
78 G L -0.1217 Soluble
79 S L -0.6384 Soluble
80 G L -1.0808 Soluble
83 S L -1.2582 Soluble
84 G L -1.2496 Soluble
85 T L -1.6788 Soluble
86 D L -2.0183 Soluble
87 F L 0.0000 Buried
88 T L -0.7107 Soluble
89 L L 0.0000 Buried
90 T L -0.6506 Soluble
91 I L 0.0000 Buried
92 S L -1.6339 Soluble
93 S L -1.4978 Soluble
94 L L 0.0000 Buried
95 Q L -0.9886 Soluble
96 P L -1.4986 Soluble
97 E L -1.6586 Soluble
98 D L 0.0000 Buried
99 F L -1.3519 Soluble
100 A L 0.0000 Buried
101 T L -1.0784 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 -1.2632 Soluble
109 E L -2.4870 Soluble
114 D L -2.8226 Soluble
115 P L 0.0000 Buried
116 Y L -1.3511 Soluble
117 T L -1.2478 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.8705 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -2.1251 Soluble
124 V L 0.0000 Buried
125 E L -1.6385 Soluble
126 I L 0.0000 Buried
127 K L -1.2486 Soluble
128 R L -0.8099 Soluble
129 T L -0.0473 Soluble
130 V L 0.3891 Aggregation-prone
131 A L -0.0006 Soluble
132 A L -0.0627 Soluble
133 P L 0.0000 Buried
134 S L -0.0790 Soluble
135 V L -0.1092 Soluble
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.9534 Soluble
140 P L -0.8749 Soluble
141 S L -1.7362 Soluble
142 D L -3.0498 Soluble
143 E L -3.2530 Soluble
144 Q L 0.0000 Buried
145 L L -2.3935 Soluble
146 K L -2.9064 Soluble
147 S L -1.8602 Soluble
148 G L -1.4235 Soluble
149 T L -1.1199 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 -0.7805 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7120 Soluble
162 R L -2.9220 Soluble
163 E L -3.1464 Soluble
164 A L -2.1019 Soluble
165 K L -1.7592 Soluble
166 V L -0.8346 Soluble
167 Q L -0.5159 Soluble
168 W L 0.0000 Buried
169 K L -0.4704 Soluble
170 V L 0.0000 Buried
171 D L -1.5882 Soluble
172 N L -1.4083 Soluble
173 A L -0.1949 Soluble
174 L L 0.7477 Aggregation-prone
175 Q L -0.0602 Soluble
176 S L -0.4500 Soluble
177 G L -0.8373 Soluble
178 N L -0.7232 Soluble
179 S L -0.9182 Soluble
180 Q L -1.0600 Soluble
181 E L -1.3619 Soluble
182 S L -0.7251 Soluble
183 V L -0.6972 Soluble
184 T L -1.0923 Soluble
185 E L -2.1763 Soluble
186 Q L 0.0000 Buried
187 D L -1.9127 Soluble
188 S L -2.0827 Soluble
189 K L -2.4637 Soluble
190 D L -1.7304 Soluble
191 S L 0.0000 Buried
192 T L 0.0000 Buried
193 Y L -1.3037 Soluble
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 -0.5193 Soluble
199 L L 0.0000 Buried
200 T L -0.2826 Soluble
201 L L -0.6062 Soluble
202 S L -1.2547 Soluble
203 K L -2.1890 Soluble
204 A L -1.8591 Soluble
205 D L -2.4369 Soluble
206 Y L 0.0000 Buried
207 E L -3.1616 Soluble
208 K L -3.3929 Soluble
209 H L -2.8148 Soluble
210 K L -3.0683 Soluble
211 V L -1.4398 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8171 Soluble
216 V L 0.0000 Buried
217 T L -1.0192 Soluble
218 H L 0.0000 Buried
219 Q L -1.6917 Soluble
220 G L -0.4285 Soluble
221 L L -0.2397 Soluble
222 S L -0.4603 Soluble
223 S L -0.4181 Soluble
224 P L -0.5205 Soluble
225 V L -0.0340 Soluble
226 T L -0.4770 Soluble
227 K L -0.7432 Soluble
228 S L -0.7121 Soluble
229 F L 0.0000 Buried
230 N L -2.1916 Soluble
231 R L -2.5815 Soluble
232 G L -2.1418 Soluble
233 E L -2.8343 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 -0.7558 3.676 CSV PDB
4.5 -0.803 3.6314 CSV PDB
5.0 -0.8585 3.5835 CSV PDB
5.5 -0.9119 3.5441 CSV PDB
6.0 -0.9515 3.5268 CSV PDB
6.5 -0.968 3.5347 CSV PDB
7.0 -0.9611 3.5451 CSV PDB
7.5 -0.9387 3.5331 CSV PDB
8.0 -0.9075 3.4989 CSV PDB
8.5 -0.8696 3.4576 CSV PDB
9.0 -0.8248 3.4229 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH