Omalizumab / 4x7s

A4DAB191_4x7s_H_L | Source PDB: 4x7s | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7065
Max Score
1.3462
Min Score
-3.6037
Total Score
-310.88
Score CDR
-0.4037
Score non-CDR
-0.7471

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.6037
Maximum Score 1.3462
Average Score -0.7065
Total Score -310.8771

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

Index Residue Chain A4D Score Classification
1 E H -2.1650 Soluble
2 V H -1.3978 Soluble
3 Q H -1.3587 Soluble
4 L H 0.0000 Buried
5 V H 0.9843 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.4684 Soluble
8 G H -1.0797 Soluble
9 G H -0.7434 Soluble
11 G H -0.3151 Soluble
12 L H -0.0236 Soluble
13 V H -0.6288 Soluble
14 Q H -1.5789 Soluble
15 P H -1.5477 Soluble
16 G H -1.5113 Soluble
17 G H -1.2611 Soluble
18 S H -1.6867 Soluble
19 L H 0.0000 Buried
20 R H -2.3070 Soluble
21 L H 0.0000 Buried
22 S H -0.5076 Soluble
23 C H 0.0000 Buried
24 A H -0.1309 Soluble
25 V H 0.0000 Buried
26 S H -0.8151 Soluble
27 G H -1.3209 Soluble
28 Y H -0.5963 Soluble
29 S H -0.6700 Soluble
30 I H 0.0000 Buried
31 T H -0.5614 Soluble
35 S H 0.0893 Aggregation-prone
36 G H 0.0000 Buried
37 Y H 0.2025 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 0.0000 Buried
45 A H -1.1190 Soluble
46 P H -0.9545 Soluble
47 G H -1.4512 Soluble
48 K H -2.2727 Soluble
49 G H -1.4734 Soluble
50 L H 0.0000 Buried
51 E H -0.7110 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 -0.1595 Soluble
58 Y H 0.2753 Aggregation-prone
59 D H -1.3225 Soluble
63 G H -0.9421 Soluble
64 S H -0.7265 Soluble
65 T H -0.4964 Soluble
66 N H -0.9428 Soluble
67 Y H -0.9931 Soluble
68 N H 0.0000 Buried
69 P H -1.4654 Soluble
70 S H -0.8850 Soluble
71 V H 0.0000 Buried
72 K H -2.2041 Soluble
74 G H -1.6211 Soluble
75 R H -1.5198 Soluble
76 I H 0.0000 Buried
77 T H -1.0358 Soluble
78 I H 0.0000 Buried
79 S H -0.7816 Soluble
80 R H -1.3976 Soluble
81 D H -2.2394 Soluble
82 D H -2.6823 Soluble
83 S H -2.1101 Soluble
84 K H -2.6749 Soluble
85 N H -2.0401 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 -1.6444 Soluble
91 M H 0.0000 Buried
92 N H -1.9071 Soluble
93 S H -1.4211 Soluble
94 L H 0.0000 Buried
95 R H -2.4799 Soluble
96 A H -1.7500 Soluble
97 E H -2.2656 Soluble
98 D H 0.0000 Buried
99 T H -0.7043 Soluble
100 A H 0.0000 Buried
101 V H 0.1804 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 -0.1733 Soluble
107 G H 0.0000 Buried
108 S H 0.2093 Aggregation-prone
109 H H 0.1175 Aggregation-prone
110 Y H 1.3462 Aggregation-prone
111 F H 1.2833 Aggregation-prone
112A G H 0.4226 Aggregation-prone
112 H H 0.2545 Aggregation-prone
113 W H -0.2380 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.1621 Soluble
117 V H -0.2253 Soluble
118 W H -0.4256 Soluble
119 G H 0.0000 Buried
120 Q H -1.2975 Soluble
121 G H -0.5758 Soluble
122 T H -0.0858 Soluble
123 L H 0.1437 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4065 Soluble
126 V H 0.0000 Buried
127 S H -0.7359 Soluble
128 S H -0.6520 Soluble
129 A H -0.4886 Soluble
130 S H -0.6616 Soluble
131 T H -1.1207 Soluble
132 K H -1.6619 Soluble
133 G H -1.7298 Soluble
134 P H -0.8381 Soluble
135 S H -0.4487 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0891 Soluble
139 L H 0.0000 Buried
140 A H -1.1832 Soluble
141 P H 0.0000 Buried
142 S H -1.1748 Soluble
143 S H -1.7198 Soluble
144 K H -2.0833 Soluble
145 S H -1.3713 Soluble
146 T H -0.8799 Soluble
147 S H -0.8155 Soluble
148 G H -1.1426 Soluble
149 G H -0.7628 Soluble
150 T H -0.5521 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 -0.6090 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.4099 Soluble
164 P H -0.7269 Soluble
165 V H -0.7953 Soluble
166 T H -0.7066 Soluble
167 V H -0.4506 Soluble
168 S H -0.4580 Soluble
169 W H 0.0000 Buried
170 N H -0.7296 Soluble
171 S H -0.6643 Soluble
172 G H -0.5294 Soluble
173 A H -0.2653 Soluble
174 L H -0.0322 Soluble
175 T H -0.1953 Soluble
176 S H -0.3697 Soluble
177 G H -0.3871 Soluble
178 V H 0.1438 Aggregation-prone
179 H H -0.2956 Soluble
180 T H -0.1602 Soluble
181 F H 0.0000 Buried
182 P H -0.3524 Soluble
183 A H 0.0668 Aggregation-prone
184 V H 0.3232 Aggregation-prone
185 L H 1.0358 Aggregation-prone
186 Q H 0.1300 Aggregation-prone
187 S H -0.1055 Soluble
188 S H -0.2679 Soluble
189 G H -0.0602 Soluble
190 L H -0.0419 Soluble
191 Y H 0.3153 Aggregation-prone
192 S H 0.1340 Aggregation-prone
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 -0.1302 Soluble
199 V H 0.0000 Buried
200 P H -0.5778 Soluble
201 S H -0.8529 Soluble
202 S H -0.6571 Soluble
203 S H -0.5560 Soluble
204 L H -1.0150 Soluble
205 G H -0.9511 Soluble
206 T H -0.6590 Soluble
207 Q H -1.0834 Soluble
208 T H -1.0135 Soluble
209 Y H 0.0000 Buried
210 I H -1.1469 Soluble
211 C H 0.0000 Buried
212 N H -1.5093 Soluble
213 V H 0.0000 Buried
214 N H -2.3449 Soluble
215 H H 0.0000 Buried
216 K H -2.8787 Soluble
217 P H -1.6976 Soluble
218 S H -1.9984 Soluble
219 N H -2.7167 Soluble
220 T H -2.2613 Soluble
221 K H -2.8455 Soluble
222 V H -1.6473 Soluble
223 D H -2.4913 Soluble
224 K H -2.0056 Soluble
225 K H -2.3297 Soluble
226 V H 0.0000 Buried
227 E H -2.6832 Soluble
228 P H -2.0623 Soluble
229 K H -2.2836 Soluble
1 D L -2.8701 Soluble
2 I L 0.0000 Buried
3 Q L -2.2444 Soluble
4 L L 0.0000 Buried
5 T L -1.2070 Soluble
6 Q L 0.0000 Buried
7 S L -0.5184 Soluble
8 P L -0.4249 Soluble
9 S L -0.7271 Soluble
10 S L -0.6457 Soluble
11 L L -0.4421 Soluble
12 S L -0.5409 Soluble
13 A L -0.9292 Soluble
14 S L -0.8258 Soluble
15 V L 0.0401 Aggregation-prone
16 G L -0.8346 Soluble
17 D L -2.4365 Soluble
18 R L -2.6589 Soluble
19 V L 0.0000 Buried
20 T L -0.7097 Soluble
21 I L 0.0000 Buried
22 T L -0.8055 Soluble
23 C L 0.0000 Buried
24 R L -2.3844 Soluble
25 A L 0.0000 Buried
26 S L -1.9740 Soluble
27 Q L -2.3247 Soluble
28 S L -1.3444 Soluble
29 V L 0.0000 Buried
30 D L -1.1312 Soluble
31 Y L -0.3506 Soluble
34 D L -1.7125 Soluble
35 G L -1.3512 Soluble
36 D L -0.9186 Soluble
37 S L 0.0000 Buried
38 Y L -0.2086 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 -1.2302 Soluble
45 K L -1.7650 Soluble
46 P L -1.3913 Soluble
47 G L -1.7472 Soluble
48 K L -2.4622 Soluble
49 A L -1.5402 Soluble
50 P L 0.0000 Buried
51 K L -1.4333 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.7743 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.1253 Aggregation-prone
66 Y L 0.9862 Aggregation-prone
67 L L 0.6879 Aggregation-prone
68 E L -0.0893 Soluble
69 S L -0.2944 Soluble
70 G L -0.5064 Soluble
71 V L -0.3602 Soluble
72 P L -0.3539 Soluble
74 S L -0.4556 Soluble
75 R L -0.7909 Soluble
76 F L 0.0000 Buried
77 S L -0.1928 Soluble
78 G L -0.0820 Soluble
79 S L -0.6574 Soluble
80 G L -1.1728 Soluble
83 S L -1.3779 Soluble
84 G L -1.3691 Soluble
85 T L -1.9591 Soluble
86 D L -2.6228 Soluble
87 F L 0.0000 Buried
88 T L -0.8061 Soluble
89 L L 0.0000 Buried
90 T L -0.6197 Soluble
91 I L 0.0000 Buried
92 S L -1.4497 Soluble
93 S L -1.3720 Soluble
94 L L 0.0000 Buried
95 Q L -1.0931 Soluble
96 P L -1.4704 Soluble
97 E L -2.2595 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.6870 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 -1.4807 Soluble
109 E L -2.8214 Soluble
114 D L -2.7695 Soluble
115 P L 0.0000 Buried
116 Y L 0.0000 Buried
117 T L -1.3126 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.4258 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.1276 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L 0.0000 Buried
127 K L -1.2840 Soluble
128 R L -0.6762 Soluble
129 T L 0.0399 Aggregation-prone
130 V L 0.3132 Aggregation-prone
131 A L -0.0100 Soluble
132 A L -0.0564 Soluble
133 P L 0.0000 Buried
134 S L -0.0606 Soluble
135 V L 0.1229 Aggregation-prone
136 F L 0.2860 Aggregation-prone
137 I L 0.2333 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.3455 Soluble
140 P L -0.6685 Soluble
141 S L 0.0000 Buried
142 D L -2.4971 Soluble
143 E L -2.0794 Soluble
144 Q L 0.0000 Buried
145 L L -2.0393 Soluble
146 K L -2.5213 Soluble
147 S L -1.5724 Soluble
148 G L -1.1878 Soluble
149 T L -0.8788 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 -0.6852 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6445 Soluble
162 R L -2.7519 Soluble
163 E L -3.0466 Soluble
164 A L -2.2037 Soluble
165 K L -2.3398 Soluble
166 V L -1.1369 Soluble
167 Q L -0.8614 Soluble
168 W L 0.0000 Buried
169 K L -0.8726 Soluble
170 V L 0.0000 Buried
171 D L -1.8806 Soluble
172 N L -1.6301 Soluble
173 A L -0.5588 Soluble
174 L L 0.0565 Aggregation-prone
175 Q L -0.4500 Soluble
176 S L -0.5590 Soluble
177 G L -0.9686 Soluble
178 N L -0.9160 Soluble
179 S L -1.2660 Soluble
180 Q L -1.6513 Soluble
181 E L -1.8207 Soluble
182 S L -0.9817 Soluble
183 V L -0.9568 Soluble
184 T L -1.0902 Soluble
185 E L -2.0749 Soluble
186 Q L 0.0000 Buried
187 D L -1.9753 Soluble
188 S L -2.1630 Soluble
189 K L -2.4267 Soluble
190 D L -1.6611 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 -0.6872 Soluble
199 L L 0.0000 Buried
200 T L -0.4827 Soluble
201 L L -0.6610 Soluble
202 S L -1.0630 Soluble
203 K L -2.1368 Soluble
204 A L -1.9182 Soluble
205 D L -2.5226 Soluble
206 Y L 0.0000 Buried
207 E L -3.5361 Soluble
208 K L -3.6037 Soluble
209 H L -2.9184 Soluble
210 K L -3.0744 Soluble
211 V L -1.3293 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.9414 Soluble
216 V L 0.0000 Buried
217 T L -1.2394 Soluble
218 H L 0.0000 Buried
219 Q L -1.7025 Soluble
220 G L -0.4391 Soluble
221 L L -0.2661 Soluble
222 S L -0.4856 Soluble
223 S L -0.4675 Soluble
224 P L -0.6558 Soluble
225 V L -0.1022 Soluble
226 T L -0.4972 Soluble
227 K L -0.6124 Soluble
228 S L -0.5225 Soluble
229 F L -0.7473 Soluble
230 N L -1.6783 Soluble
231 R L -2.4083 Soluble
232 G L -1.9679 Soluble
233 E L -2.1539 Soluble
234 C L -1.0764 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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 -0.7296 1.9848 CSV PDB
4.5 -0.7769 1.9768 CSV PDB
5.0 -0.8313 1.974 CSV PDB
5.5 -0.8825 1.9841 CSV PDB
6.0 -0.9191 2.0101 CSV PDB
6.5 -0.9328 2.0431 CSV PDB
7.0 -0.9241 2.0687 CSV PDB
7.5 -0.9005 2.0794 CSV PDB
8.0 -0.8685 2.0775 CSV PDB
8.5 -0.8295 2.0689 CSV PDB
9.0 -0.783 2.0564 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH