Omalizumab / 5g64

A4DAB191_5g64_I_M | Source PDB: 5g64 | Chains: I, M | Done
99.14
Yes
10 Å
Yes
Avg A4D Score
-0.7967
Max Score
1.7254
Min Score
-3.7271
Total Score
-332.23
Score CDR
-0.3794
Score non-CDR
-0.8989

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFHWHFAVWGQGTLVTVSSASTKGPSVFPLAPAALGCLVKDYFPEPVTVSWNTSGVHTFPAVLQSSGLYSLSSVVTVPSTQTYICNVNHKPSNTKVDKKVEPIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISRLRPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNAPQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) I (Heavy), M (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 -3.7271
Maximum Score 1.7254
Average Score -0.7967
Total Score -332.2307

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

Index Residue Chain A4D Score Classification
1 E I -2.0292 Soluble
2 V I -1.1902 Soluble
3 Q I -1.3304 Soluble
4 L I 0.0000 Buried
5 V I 0.6595 Aggregation-prone
6 E I 0.0808 Aggregation-prone
7 S I -0.5206 Soluble
8 G I -1.0307 Soluble
9 G I -0.8757 Soluble
11 G I -0.5425 Soluble
12 L I 0.0441 Aggregation-prone
13 V I -0.4494 Soluble
14 Q I -1.3458 Soluble
15 P I -1.5015 Soluble
16 G I -1.5996 Soluble
17 G I -1.2653 Soluble
18 S I -1.5873 Soluble
19 L I 0.0000 Buried
20 R I -2.5585 Soluble
21 L I 0.0000 Buried
22 S I -0.6450 Soluble
23 C I 0.0000 Buried
24 A I -0.2522 Soluble
25 V I 0.0000 Buried
26 S I -0.7738 Soluble
27 G I -0.7658 Soluble
28 Y I 0.2079 Aggregation-prone
29 S I -0.0447 Soluble
30 I I 0.0000 Buried
31 T I -0.6895 Soluble
35 S I -0.0719 Soluble
36 G I 0.3431 Aggregation-prone
37 Y I 0.5005 Aggregation-prone
38 S I 0.0619 Aggregation-prone
39 W I 0.0000 Buried
40 N I 0.0000 Buried
41 W I 0.0000 Buried
42 I I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I -0.8922 Soluble
45 A I -1.3418 Soluble
46 P I -1.1752 Soluble
47 G I -1.4830 Soluble
48 K I -2.4298 Soluble
49 G I -1.6905 Soluble
50 L I -0.9859 Soluble
51 E I -1.0015 Soluble
52 W I 0.0000 Buried
53 V I 0.0000 Buried
54 A I 0.0000 Buried
55 S I -0.4917 Soluble
56 I I 0.0000 Buried
57 T I -0.2857 Soluble
58 Y I 0.1197 Aggregation-prone
59 D I -1.4200 Soluble
63 G I -1.0895 Soluble
64 S I -0.8648 Soluble
65 T I -0.8733 Soluble
66 N I -1.6878 Soluble
67 Y I -1.1858 Soluble
68 N I 0.0000 Buried
69 P I -1.2538 Soluble
70 S I -1.0227 Soluble
71 V I 0.0000 Buried
72 K I -2.3533 Soluble
74 G I -1.7632 Soluble
75 R I -1.9367 Soluble
76 I I 0.0000 Buried
77 T I -1.3051 Soluble
78 I I 0.0000 Buried
79 S I -0.7982 Soluble
80 R I -1.8111 Soluble
81 D I -2.5556 Soluble
82 D I -3.0244 Soluble
83 S I -2.3335 Soluble
84 K I -2.8596 Soluble
85 N I -2.1991 Soluble
86 T I 0.0000 Buried
87 F I 0.0000 Buried
88 Y I -0.9248 Soluble
89 L I 0.0000 Buried
90 Q I -2.1270 Soluble
91 M I 0.0000 Buried
92 N I -2.1770 Soluble
93 S I -1.6418 Soluble
94 L I 0.0000 Buried
95 R I -2.7292 Soluble
96 A I -1.8344 Soluble
97 E I -2.4293 Soluble
98 D I 0.0000 Buried
99 T I -0.9167 Soluble
100 A I 0.0000 Buried
101 V I 0.1653 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I -0.1178 Soluble
107 G I 0.0000 Buried
108 S I -0.2935 Soluble
109 H I -0.2953 Soluble
110 Y I 0.6539 Aggregation-prone
111 F I 1.7254 Aggregation-prone
112 H I -0.1571 Soluble
113 W I 0.1159 Aggregation-prone
114 H I 0.0000 Buried
115 F I 0.0000 Buried
116 A I -0.1904 Soluble
117 V I -0.1368 Soluble
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.2910 Soluble
121 G I -0.5294 Soluble
122 T I -0.1097 Soluble
123 L I 0.1116 Aggregation-prone
124 V I 0.0000 Buried
125 T I 0.0000 Buried
126 V I 0.0000 Buried
127 S I -0.7785 Soluble
128 S I -0.6485 Soluble
129 A I -0.5633 Soluble
130 S I -0.7413 Soluble
131 T I -0.9991 Soluble
132 K I -1.7111 Soluble
133 G I -1.6664 Soluble
134 P I 0.0000 Buried
135 S I -0.3908 Soluble
136 V I 0.0000 Buried
137 F I -0.5829 Soluble
138 P I -0.9956 Soluble
139 L I 0.0000 Buried
140 A I -0.4942 Soluble
141 P I -0.3312 Soluble
142 A I 0.0497 Aggregation-prone
143 A I 0.1473 Aggregation-prone
144 L I -0.0598 Soluble
145 G I 0.0000 Buried
146 C I 0.0000 Buried
147 L I 0.0000 Buried
148 V I 0.0000 Buried
149 K I 0.0000 Buried
150 D I -0.6738 Soluble
151 Y I 0.0000 Buried
152 F I 0.0000 Buried
153 P I 0.0000 Buried
154 E I -0.8416 Soluble
155 P I -0.7172 Soluble
156 V I -0.6772 Soluble
157 T I -0.6249 Soluble
158 V I -0.3660 Soluble
159 S I -0.5748 Soluble
160 W I 0.0000 Buried
161 N I -1.5343 Soluble
162 T I -0.3134 Soluble
163 S I -0.4718 Soluble
164 G I -0.6708 Soluble
165 V I -0.1216 Soluble
166 H I 0.0000 Buried
167 T I -0.1574 Soluble
168 F I 0.0000 Buried
169 P I -0.2975 Soluble
170 A I 0.0718 Aggregation-prone
171 V I 0.0000 Buried
172 L I 1.2422 Aggregation-prone
173 Q I 0.2441 Aggregation-prone
174 S I -0.1149 Soluble
175 S I -0.3231 Soluble
176 G I -0.2219 Soluble
177 L I 0.0000 Buried
178 Y I 0.0827 Aggregation-prone
179 S I 0.0000 Buried
180 L I 0.0000 Buried
181 S I 0.0000 Buried
182 S I 0.0000 Buried
183 V I 0.0000 Buried
184 V I 0.0000 Buried
185 T I -0.0404 Soluble
186 V I -0.0649 Soluble
187 P I -0.2572 Soluble
188 S I -0.2778 Soluble
189 T I -0.6368 Soluble
190 Q I -1.2998 Soluble
191 T I -1.2921 Soluble
192 Y I -0.8985 Soluble
193 I I -1.3892 Soluble
194 C I 0.0000 Buried
195 N I -1.7049 Soluble
196 V I 0.0000 Buried
197 N I -2.0562 Soluble
198 H I 0.0000 Buried
199 K I -2.6912 Soluble
200 P I -1.6539 Soluble
201 S I -1.8647 Soluble
202 N I -2.4404 Soluble
203 T I -1.9421 Soluble
204 K I -2.8027 Soluble
205 V I -1.8599 Soluble
206 D I -2.8502 Soluble
207 K I -2.5191 Soluble
208 K I -2.6723 Soluble
209 V I 0.0000 Buried
210 E I -2.4598 Soluble
211 P I -1.1700 Soluble
2 I M -0.6384 Soluble
3 Q M -1.4728 Soluble
4 L M 0.0000 Buried
5 T M -1.3752 Soluble
6 Q M 0.0000 Buried
7 S M -0.8143 Soluble
8 P M -0.7200 Soluble
9 S M -0.9995 Soluble
10 S M -1.0858 Soluble
11 L M -0.5229 Soluble
12 S M -0.7370 Soluble
13 A M -1.1418 Soluble
14 S M -1.6525 Soluble
15 V M -1.2930 Soluble
16 G M -2.2255 Soluble
17 D M -2.9796 Soluble
18 R M -3.0450 Soluble
19 V M 0.0000 Buried
20 T M -0.7171 Soluble
21 I M 0.0000 Buried
22 T M -0.9813 Soluble
23 C M 0.0000 Buried
24 R M -2.9038 Soluble
25 A M 0.0000 Buried
26 S M -1.6145 Soluble
27 Q M -1.7222 Soluble
28 S M -0.9267 Soluble
29 V M 0.0000 Buried
30 D M -0.7737 Soluble
31 Y M -0.1326 Soluble
34 D M -1.5846 Soluble
35 G M -1.2359 Soluble
36 D M -0.7213 Soluble
37 S M -0.6857 Soluble
38 Y M 0.0000 Buried
39 M M 0.0000 Buried
40 N M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M -0.9646 Soluble
44 Q M -1.8238 Soluble
45 K M -2.6620 Soluble
46 P M -1.8908 Soluble
47 G M -1.8824 Soluble
48 K M -2.7935 Soluble
49 A M -1.8815 Soluble
50 P M 0.0000 Buried
51 K M -1.5326 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M 0.6325 Aggregation-prone
56 A M 0.0000 Buried
57 A M 0.0000 Buried
65 S M 0.4165 Aggregation-prone
66 Y M 1.4009 Aggregation-prone
67 L M 0.8145 Aggregation-prone
68 E M -0.4415 Soluble
69 S M -0.7036 Soluble
70 G M -0.6626 Soluble
71 V M -0.4809 Soluble
72 P M -0.3908 Soluble
74 S M -0.4606 Soluble
75 R M -1.0638 Soluble
76 F M 0.0000 Buried
77 S M -0.1561 Soluble
78 G M -0.0846 Soluble
79 S M -0.6273 Soluble
80 G M -1.0688 Soluble
83 S M -1.2052 Soluble
84 G M -1.2853 Soluble
85 T M -2.0213 Soluble
86 D M -2.6645 Soluble
87 F M 0.0000 Buried
88 T M -0.9219 Soluble
89 L M 0.0000 Buried
90 T M -0.8851 Soluble
91 I M 0.0000 Buried
92 S M -2.1284 Soluble
93 R M -3.2209 Soluble
94 L M 0.0000 Buried
95 R M -2.3703 Soluble
96 P M -1.8877 Soluble
97 E M -2.3140 Soluble
98 D M -1.6695 Soluble
99 F M -1.2981 Soluble
100 A M 0.0000 Buried
101 T M -1.3797 Soluble
102 Y M 0.0000 Buried
103 Y M -0.3649 Soluble
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 Q M 0.0000 Buried
107 S M 0.0000 Buried
108 H M -1.2275 Soluble
109 E M -2.0147 Soluble
114 D M -2.4505 Soluble
115 P M -1.5810 Soluble
116 Y M -0.8283 Soluble
117 T M -0.4883 Soluble
118 F M -0.3190 Soluble
119 G M -1.0538 Soluble
120 Q M -1.8430 Soluble
121 G M 0.0000 Buried
122 T M 0.0000 Buried
123 K M -2.1120 Soluble
124 V M 0.0000 Buried
125 E M -1.1937 Soluble
126 I M 0.0000 Buried
127 K M -1.6759 Soluble
128 R M -1.8811 Soluble
129 T M -0.4931 Soluble
130 V M 0.5414 Aggregation-prone
131 A M 0.1362 Aggregation-prone
132 A M -0.1156 Soluble
133 P M 0.0000 Buried
134 S M -0.0031 Soluble
135 V M 0.0000 Buried
136 F M 0.7212 Aggregation-prone
137 I M 0.5165 Aggregation-prone
138 F M 0.4196 Aggregation-prone
139 P M -0.5114 Soluble
140 P M 0.0000 Buried
141 S M -1.5999 Soluble
142 D M -2.9681 Soluble
143 E M -3.1553 Soluble
144 Q M 0.0000 Buried
145 L M -2.1106 Soluble
146 K M -2.7410 Soluble
147 S M -1.7963 Soluble
148 G M -1.2976 Soluble
149 T M -0.7996 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M -0.4944 Soluble
158 N M -0.9021 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.6188 Soluble
162 R M -2.8673 Soluble
163 E M -3.0338 Soluble
164 A M -2.3702 Soluble
165 K M -2.6920 Soluble
166 V M 0.0000 Buried
167 Q M -1.2814 Soluble
168 W M 0.0000 Buried
169 K M -1.5945 Soluble
170 V M 0.0000 Buried
171 D M -2.3024 Soluble
172 N M -1.9634 Soluble
173 A M -1.3215 Soluble
174 P M -1.1300 Soluble
175 Q M -1.2887 Soluble
176 S M -1.0089 Soluble
177 G M -1.0549 Soluble
178 N M -1.3474 Soluble
179 S M -1.1855 Soluble
180 Q M -0.9115 Soluble
181 E M -1.6150 Soluble
182 S M 0.0000 Buried
183 V M -0.6350 Soluble
184 T M -1.0789 Soluble
185 E M -2.2235 Soluble
186 Q M -1.8935 Soluble
187 D M -1.7859 Soluble
188 S M -1.9653 Soluble
189 K M -2.2629 Soluble
190 D M -1.7901 Soluble
191 S M -2.0602 Soluble
192 T M -1.6377 Soluble
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M 0.0000 Buried
199 L M 0.0000 Buried
200 T M -0.5487 Soluble
201 L M 0.0000 Buried
202 S M -1.0641 Soluble
203 K M -1.9075 Soluble
204 A M -1.7886 Soluble
205 D M -2.4995 Soluble
206 Y M 0.0000 Buried
207 E M -3.7271 Soluble
208 K M -3.5209 Soluble
209 H M -3.3731 Soluble
210 K M -3.4053 Soluble
211 V M -2.0127 Soluble
212 Y M 0.0000 Buried
213 A M -0.9935 Soluble
214 C M 0.0000 Buried
215 E M -0.9126 Soluble
216 V M 0.0000 Buried
217 T M -1.1837 Soluble
218 H M 0.0000 Buried
219 Q M -1.7083 Soluble
220 G M -0.4016 Soluble
221 L M -0.3182 Soluble
222 S M -0.4315 Soluble
223 S M -0.3516 Soluble
224 P M -0.4212 Soluble
225 V M 0.3525 Aggregation-prone
226 T M -0.2955 Soluble
227 K M -0.4844 Soluble
228 S M -0.7375 Soluble
229 F M -1.0889 Soluble
230 N M -2.3989 Soluble
231 R M -3.1720 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
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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 -0.7986 3.5243 CSV PDB
4.5 -0.8482 3.5232 CSV PDB
5.0 -0.9062 3.5309 CSV PDB
5.5 -0.9613 3.5605 CSV PDB
6.0 -1.0015 3.6198 CSV PDB
6.5 -1.0177 3.6901 CSV PDB
7.0 -1.0099 3.7396 CSV PDB
7.5 -0.9862 3.7598 CSV PDB
8.0 -0.9535 3.7625 CSV PDB
8.5 -0.9137 3.7587 CSV PDB
9.0 -0.8665 3.7537 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH