Omalizumab / 5hys

A4DAB191_5hys_A_B | Source PDB: 5hys | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7344
Max Score
1.361
Min Score
-3.6143
Total Score
-322.39
Score CDR
-0.5306
Score non-CDR
-0.7618

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) A (Heavy), B (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 -3.6143
Maximum Score 1.361
Average Score -0.7344
Total Score -322.3915

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

Index Residue Chain A4D Score Classification
1 E A -2.0853 Soluble
2 V A -1.3940 Soluble
3 Q A -1.3202 Soluble
4 L A 0.0000 Buried
5 V A 1.1930 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.1917 Soluble
8 G A -0.9330 Soluble
9 G A -0.6138 Soluble
11 G A -0.2629 Soluble
12 L A -0.0467 Soluble
13 V A 0.0000 Buried
14 Q A -1.6819 Soluble
15 P A -1.6616 Soluble
16 G A -1.5700 Soluble
17 G A -1.3946 Soluble
18 S A -1.7913 Soluble
19 L A 0.0000 Buried
20 R A -2.3855 Soluble
21 L A 0.0000 Buried
22 S A -0.5314 Soluble
23 C A 0.0000 Buried
24 A A -0.0697 Soluble
25 V A 0.0000 Buried
26 S A -0.9177 Soluble
27 G A -1.1815 Soluble
28 Y A -0.4292 Soluble
29 S A -0.5237 Soluble
30 I A 0.0000 Buried
31 T A -0.7494 Soluble
35 S A -0.1767 Soluble
36 G A 0.0000 Buried
37 Y A 0.1455 Aggregation-prone
38 S A 0.0000 Buried
39 W A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 I A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.7010 Soluble
45 A A -1.1501 Soluble
46 P A -1.1989 Soluble
47 G A -1.4785 Soluble
48 K A -2.3876 Soluble
49 G A -1.6591 Soluble
50 L A 0.0000 Buried
51 E A -0.8606 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 A A 0.0000 Buried
55 S A -0.3599 Soluble
56 I A 0.0000 Buried
57 T A -0.4021 Soluble
58 Y A -0.2247 Soluble
59 D A -1.5578 Soluble
63 G A -1.1148 Soluble
64 S A -0.8534 Soluble
65 T A -0.7166 Soluble
66 N A -1.3535 Soluble
67 Y A -1.0814 Soluble
68 N A 0.0000 Buried
69 P A -1.5320 Soluble
70 S A -0.9360 Soluble
71 V A 0.0000 Buried
72 K A -2.2486 Soluble
74 G A -1.6641 Soluble
75 R A -1.6535 Soluble
76 I A 0.0000 Buried
77 T A -1.0818 Soluble
78 I A 0.0000 Buried
79 S A -0.7944 Soluble
80 R A -1.5936 Soluble
81 D A -2.4108 Soluble
82 D A -2.9902 Soluble
83 S A -2.2432 Soluble
84 K A -2.7837 Soluble
85 N A -2.1092 Soluble
86 T A 0.0000 Buried
87 F A 0.0000 Buried
88 Y A 0.0000 Buried
89 L A 0.0000 Buried
90 Q A -1.6284 Soluble
91 M A 0.0000 Buried
92 N A -2.1207 Soluble
93 S A -1.5862 Soluble
94 L A 0.0000 Buried
95 R A -2.8560 Soluble
96 A A -1.9404 Soluble
97 E A -2.4027 Soluble
98 D A 0.0000 Buried
99 T A -0.8345 Soluble
100 A A 0.0000 Buried
101 V A 0.2696 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.1659 Soluble
107 G A 0.0000 Buried
108 S A -0.2861 Soluble
109 H A -0.4537 Soluble
110 Y A 0.4976 Aggregation-prone
111 F A 1.3610 Aggregation-prone
112A G A 0.1591 Aggregation-prone
112 H A -0.1197 Soluble
113 W A -0.0017 Soluble
114 H A 0.0000 Buried
115 F A 0.0000 Buried
116 A A -0.2458 Soluble
117 V A -0.2805 Soluble
118 W A -0.3926 Soluble
119 G A 0.0000 Buried
120 Q A -1.3192 Soluble
121 G A 0.0000 Buried
122 T A 0.0516 Aggregation-prone
123 L A 0.0971 Aggregation-prone
124 V A 0.0000 Buried
125 T A 0.0000 Buried
126 V A 0.0000 Buried
127 S A -0.7991 Soluble
128 S A -0.6712 Soluble
129 A A -0.4923 Soluble
130 S A -0.5976 Soluble
131 T A -0.8255 Soluble
132 K A -1.4305 Soluble
133 G A -1.5461 Soluble
134 P A -0.6864 Soluble
135 S A -0.3350 Soluble
136 V A 0.0000 Buried
137 F A 0.0000 Buried
138 P A -1.0192 Soluble
139 L A 0.0000 Buried
140 A A -1.0797 Soluble
141 P A 0.0000 Buried
142 S A -1.3230 Soluble
143 S A -1.4357 Soluble
144 K A -2.0622 Soluble
145 S A -1.1666 Soluble
146 T A -1.0849 Soluble
147 S A -0.9720 Soluble
148 G A -1.0533 Soluble
149 G A -1.1565 Soluble
150 T A -0.8404 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.5036 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.4021 Soluble
164 P A -0.6439 Soluble
165 V A -0.6761 Soluble
166 T A -0.5963 Soluble
167 V A -0.2104 Soluble
168 S A -0.3769 Soluble
169 W A 0.0000 Buried
170 N A -0.6277 Soluble
171 S A -0.6283 Soluble
172 G A -0.4637 Soluble
173 A A -0.2139 Soluble
174 L A 0.0515 Aggregation-prone
175 T A -0.1615 Soluble
176 S A -0.1777 Soluble
177 G A -0.1633 Soluble
178 V A 0.1589 Aggregation-prone
179 H A -0.2118 Soluble
180 T A -0.0139 Soluble
181 F A 0.0000 Buried
182 P A -0.3189 Soluble
183 A A 0.2483 Aggregation-prone
184 V A 0.5614 Aggregation-prone
185 L A 1.1187 Aggregation-prone
186 Q A 0.2496 Aggregation-prone
187 S A -0.1640 Soluble
188 S A -0.2625 Soluble
189 G A -0.0316 Soluble
190 L A 0.0525 Aggregation-prone
191 Y A 0.4150 Aggregation-prone
192 S A 0.0000 Buried
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1360 Soluble
199 V A 0.0000 Buried
200 P A -0.6141 Soluble
201 S A -0.9374 Soluble
202 S A -0.5929 Soluble
203 S A -0.5754 Soluble
204 L A -0.8107 Soluble
205 G A -0.9315 Soluble
206 T A -0.6582 Soluble
207 Q A -1.0573 Soluble
208 T A -0.8714 Soluble
209 Y A 0.0000 Buried
210 I A -0.9290 Soluble
211 C A 0.0000 Buried
212 N A -1.3962 Soluble
213 V A 0.0000 Buried
214 N A -2.0292 Soluble
215 H A 0.0000 Buried
216 K A -2.7986 Soluble
217 P A -1.5965 Soluble
218 S A -1.8991 Soluble
219 N A -2.6423 Soluble
220 T A -2.1680 Soluble
221 K A -2.6973 Soluble
222 V A -1.5476 Soluble
223 D A -2.3904 Soluble
224 K A -1.7664 Soluble
225 K A -1.8502 Soluble
226 V A 0.0000 Buried
227 E A -2.6428 Soluble
228 P A -1.9713 Soluble
229 K A -2.4829 Soluble
1 D B -2.9477 Soluble
2 I B 0.0000 Buried
3 Q B -2.1916 Soluble
4 L B 0.0000 Buried
5 T B -1.0000 Soluble
6 Q B 0.0000 Buried
7 S B -0.7746 Soluble
8 P B -0.5636 Soluble
9 S B -0.9045 Soluble
10 S B -0.9745 Soluble
11 L B -0.7017 Soluble
12 S B -0.9653 Soluble
13 A B -1.2225 Soluble
14 S B -1.1571 Soluble
15 V B -0.2491 Soluble
16 G B -1.0835 Soluble
17 D B -2.3990 Soluble
18 R B -2.6889 Soluble
19 V B 0.0000 Buried
20 T B -0.7205 Soluble
21 I B 0.0000 Buried
22 T B -0.6801 Soluble
23 C B 0.0000 Buried
24 R B -1.8725 Soluble
25 A B 0.0000 Buried
26 S B -1.7928 Soluble
27 Q B -2.3575 Soluble
28 S B -1.4735 Soluble
29 V B 0.0000 Buried
30 D B -1.3657 Soluble
31 Y B -0.6582 Soluble
34 D B -1.6917 Soluble
35 G B -1.4397 Soluble
36 D B -0.8102 Soluble
37 S B 0.0000 Buried
38 Y B 0.0000 Buried
39 M B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -1.3248 Soluble
45 K B -1.8473 Soluble
46 P B -1.5302 Soluble
47 G B -1.8285 Soluble
48 K B -2.5822 Soluble
49 A B -1.6334 Soluble
50 P B 0.0000 Buried
51 K B -1.4389 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.4738 Aggregation-prone
56 A B 0.0000 Buried
57 A B 0.0000 Buried
65 S B 0.0488 Aggregation-prone
66 Y B 0.6932 Aggregation-prone
67 L B 0.6254 Aggregation-prone
68 E B -0.1475 Soluble
69 S B -0.3378 Soluble
70 G B -0.5154 Soluble
71 V B -0.3551 Soluble
72 P B -0.3314 Soluble
74 S B -0.4351 Soluble
75 R B -0.7837 Soluble
76 F B 0.0000 Buried
77 S B -0.2150 Soluble
78 G B -0.1490 Soluble
79 S B -0.6426 Soluble
80 G B -1.0546 Soluble
83 S B -1.2348 Soluble
84 G B -1.2295 Soluble
85 T B -1.6184 Soluble
86 D B -1.9983 Soluble
87 F B 0.0000 Buried
88 T B -0.7009 Soluble
89 L B 0.0000 Buried
90 T B -0.6340 Soluble
91 I B 0.0000 Buried
92 S B -1.4677 Soluble
93 S B -1.3581 Soluble
94 L B 0.0000 Buried
95 Q B -1.0600 Soluble
96 P B -1.5616 Soluble
97 E B -1.8121 Soluble
98 D B 0.0000 Buried
99 F B -1.3979 Soluble
100 A B 0.0000 Buried
101 T B 0.0000 Buried
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B 0.0000 Buried
108 H B -1.6467 Soluble
109 E B -3.1093 Soluble
114 D B -3.0839 Soluble
115 P B 0.0000 Buried
116 Y B -1.3909 Soluble
117 T B -1.2917 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.8613 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -1.8606 Soluble
124 V B 0.0000 Buried
125 E B -1.6120 Soluble
126 I B 0.0000 Buried
127 K B -1.2997 Soluble
128 R B -0.9072 Soluble
129 T B -0.0362 Soluble
130 V B 0.5323 Aggregation-prone
131 A B 0.2121 Aggregation-prone
132 A B -0.0635 Soluble
133 P B 0.0000 Buried
134 S B -0.2283 Soluble
135 V B -0.1099 Soluble
136 F B 0.0000 Buried
137 I B -0.0151 Soluble
138 F B 0.0000 Buried
139 P B -0.7025 Soluble
140 P B 0.0000 Buried
141 S B -1.5751 Soluble
142 D B -2.8305 Soluble
143 E B -2.8031 Soluble
144 Q B 0.0000 Buried
145 L B -2.3009 Soluble
146 K B -2.7828 Soluble
147 S B -1.8056 Soluble
148 G B -1.2946 Soluble
149 T B -0.8793 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.9144 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.7247 Soluble
162 R B -2.9422 Soluble
163 E B -3.1658 Soluble
164 A B -2.1881 Soluble
165 K B -1.9120 Soluble
166 V B -1.0170 Soluble
167 Q B -0.5309 Soluble
168 W B 0.0000 Buried
169 K B -0.5450 Soluble
170 V B 0.0000 Buried
171 D B -1.6985 Soluble
172 N B -1.3056 Soluble
173 A B -0.2129 Soluble
174 L B 0.6860 Aggregation-prone
175 Q B -0.0847 Soluble
176 S B -0.4670 Soluble
177 G B -0.8349 Soluble
178 N B -0.7177 Soluble
179 S B -1.0438 Soluble
180 Q B -1.3360 Soluble
181 E B -1.9119 Soluble
182 S B -0.9794 Soluble
183 V B -0.9968 Soluble
184 T B -1.1607 Soluble
185 E B -2.2041 Soluble
186 Q B 0.0000 Buried
187 D B -2.2124 Soluble
188 S B -2.2170 Soluble
189 K B -2.5773 Soluble
190 D B -1.9266 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.6186 Soluble
199 L B 0.0000 Buried
200 T B -0.2949 Soluble
201 L B -0.6636 Soluble
202 S B -1.3018 Soluble
203 K B -2.2568 Soluble
204 A B -1.9620 Soluble
205 D B -2.6943 Soluble
206 Y B 0.0000 Buried
207 E B -3.5968 Soluble
208 K B -3.6143 Soluble
209 H B -3.0514 Soluble
210 K B -3.1199 Soluble
211 V B -1.5200 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -0.7291 Soluble
216 V B 0.0000 Buried
217 T B -1.0805 Soluble
218 H B 0.0000 Buried
219 Q B -1.6934 Soluble
220 G B -0.3931 Soluble
221 L B -0.2067 Soluble
222 S B -0.4450 Soluble
223 S B -0.4040 Soluble
224 P B -0.5052 Soluble
225 V B -0.1009 Soluble
226 T B -0.6002 Soluble
227 K B -0.9034 Soluble
228 S B -0.7062 Soluble
229 F B -1.0361 Soluble
230 N B -2.0605 Soluble
231 R B -2.6354 Soluble
232 G B -2.1959 Soluble
233 E B -2.5686 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 -0.7742 3.6838 CSV PDB
4.5 -0.8233 3.6346 CSV PDB
5.0 -0.8809 3.5778 CSV PDB
5.5 -0.9364 3.5251 CSV PDB
6.0 -0.9776 3.4893 CSV PDB
6.5 -0.995 3.4785 CSV PDB
7.0 -0.9883 3.4801 CSV PDB
7.5 -0.9655 3.467 CSV PDB
8.0 -0.9335 3.43 CSV PDB
8.5 -0.8944 3.3812 CSV PDB
9.0 -0.8479 3.3367 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH