Omalizumab / 6tcm

A4DAB191_6tcm_H_L | Source PDB: 6tcm | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7128
Max Score
1.2746
Min Score
-3.7725
Total Score
-307.94
Score CDR
-0.3755
Score non-CDR
-0.759

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 -3.7725
Maximum Score 1.2746
Average Score -0.7128
Total Score -307.938

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

Index Residue Chain A4D Score Classification
1 E H -2.2291 Soluble
2 V H 0.0000 Buried
3 Q H -1.4265 Soluble
4 L H 0.0000 Buried
5 V H 1.0479 Aggregation-prone
6 E H 0.2310 Aggregation-prone
8 G H -1.0496 Soluble
9 G H -0.7818 Soluble
11 G H -0.3458 Soluble
12 L H 0.0342 Aggregation-prone
13 V H -0.4746 Soluble
14 Q H -1.4504 Soluble
15 P H -1.6637 Soluble
16 G H -1.4843 Soluble
17 G H -1.2696 Soluble
19 L H -1.3167 Soluble
20 R H -2.2041 Soluble
21 L H 0.0000 Buried
22 S H -0.5154 Soluble
23 C H 0.0000 Buried
24 A H -0.1320 Soluble
25 V H 0.0000 Buried
26 S H -0.8007 Soluble
27 G H -1.2832 Soluble
28 Y H -0.5546 Soluble
29 S H -0.5576 Soluble
30 I H 0.0000 Buried
31 T H -0.4474 Soluble
35 S H 0.0914 Aggregation-prone
36 G H 0.0000 Buried
37 Y H 0.1703 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 -0.7147 Soluble
45 A H -1.1517 Soluble
46 P H -0.9618 Soluble
47 G H -1.4644 Soluble
48 K H -2.2980 Soluble
49 G H -1.4948 Soluble
50 L H 0.0000 Buried
51 E H -0.7663 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 -0.1777 Soluble
58 Y H 0.2852 Aggregation-prone
59 D H -1.3229 Soluble
63 G H -0.9367 Soluble
64 S H -0.7273 Soluble
65 T H -0.4901 Soluble
66 N H -0.9625 Soluble
67 Y H -0.9993 Soluble
68 N H 0.0000 Buried
69 P H -1.4823 Soluble
70 S H -0.9199 Soluble
71 V H 0.0000 Buried
72 K H -2.1792 Soluble
74 G H -1.6531 Soluble
75 R H -1.5405 Soluble
76 I H 0.0000 Buried
77 T H -1.0013 Soluble
78 I H 0.0000 Buried
79 S H -0.6715 Soluble
80 R H -1.2485 Soluble
81 D H -1.9970 Soluble
82 D H -2.2576 Soluble
83 S H -1.8947 Soluble
84 K H -2.5338 Soluble
85 N H -1.8172 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 -1.4858 Soluble
91 M H 0.0000 Buried
92 N H -2.0443 Soluble
93 S H -1.4509 Soluble
94 L H 0.0000 Buried
95 R H -1.9654 Soluble
96 A H -1.4699 Soluble
97 E H -2.0795 Soluble
98 D H 0.0000 Buried
99 T H -0.5749 Soluble
100 A H 0.0000 Buried
101 V H 0.2232 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 -0.2210 Soluble
107 G H 0.0000 Buried
108 S H 0.1496 Aggregation-prone
109 H H 0.0114 Aggregation-prone
110 Y H 1.2746 Aggregation-prone
111 F H 1.2689 Aggregation-prone
112A G H 0.3780 Aggregation-prone
112 H H 0.1684 Aggregation-prone
113 W H -0.2201 Soluble
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.1938 Soluble
117 V H -0.1795 Soluble
118 W H -0.4676 Soluble
119 G H 0.0000 Buried
120 Q H -1.3356 Soluble
121 G H 0.0000 Buried
122 T H -0.0945 Soluble
123 L H 0.1029 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.3210 Soluble
126 V H 0.0000 Buried
127 S H -0.6373 Soluble
129 A H -0.3749 Soluble
130 S H -0.6292 Soluble
131 T H -0.8322 Soluble
132 K H -1.8210 Soluble
133 G H -1.8522 Soluble
134 P H -0.8891 Soluble
135 S H -0.6139 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.3544 Soluble
139 L H 0.0000 Buried
140 A H -1.3607 Soluble
141 P H 0.0000 Buried
142 S H -1.1142 Soluble
143 S H -0.7748 Soluble
144 K H -1.2665 Soluble
145 S H 0.0000 Buried
146 T H -0.7384 Soluble
147 S H -0.7024 Soluble
148 G H -0.8025 Soluble
149 G H -0.8840 Soluble
150 T H -0.5842 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 -0.6760 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.4307 Soluble
164 P H -0.8631 Soluble
166 T H -0.7223 Soluble
167 V H -0.3460 Soluble
168 S H -0.3896 Soluble
169 W H 0.0000 Buried
170 N H -0.7846 Soluble
171 S H -0.6587 Soluble
172 G H -0.5563 Soluble
173 A H -0.1995 Soluble
174 L H 0.0759 Aggregation-prone
175 T H -0.1006 Soluble
177 G H -0.3370 Soluble
178 V H 0.1355 Aggregation-prone
179 H H -0.2912 Soluble
180 T H -0.0618 Soluble
181 F H 0.0000 Buried
182 P H -0.3067 Soluble
183 A H 0.1447 Aggregation-prone
184 V H 0.4461 Aggregation-prone
185 L H 1.1316 Aggregation-prone
186 Q H 0.2115 Aggregation-prone
187 S H -0.1086 Soluble
188 S H -0.2286 Soluble
189 G H 0.0205 Aggregation-prone
190 L H 0.0268 Aggregation-prone
191 Y H 0.3710 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.1634 Aggregation-prone
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 -0.1879 Soluble
199 V H 0.0000 Buried
200 P H -0.6210 Soluble
201 S H -0.5882 Soluble
202 S H -0.5812 Soluble
203 S H 0.0000 Buried
204 L H -0.8031 Soluble
205 G H -0.9531 Soluble
206 T H -0.6787 Soluble
207 Q H -1.1607 Soluble
208 T H -1.1012 Soluble
209 Y H 0.0000 Buried
210 I H -1.2929 Soluble
211 C H 0.0000 Buried
212 N H -1.4993 Soluble
213 V H 0.0000 Buried
214 N H -2.2700 Soluble
215 H H 0.0000 Buried
216 K H -2.9201 Soluble
217 P H -1.7152 Soluble
218 S H -2.0056 Soluble
219 N H -2.7430 Soluble
220 T H -2.2694 Soluble
221 K H -2.8242 Soluble
222 V H -1.6336 Soluble
223 D H -2.4697 Soluble
224 K H -2.1896 Soluble
225 K H -2.5282 Soluble
226 V H 0.0000 Buried
227 E H -2.8663 Soluble
228 P H -1.9602 Soluble
229 K H -2.4559 Soluble
1 D L -2.7438 Soluble
2 I L 0.0000 Buried
3 Q L -2.3422 Soluble
4 L L 0.0000 Buried
5 T L -1.3295 Soluble
6 Q L 0.0000 Buried
8 P L -0.5581 Soluble
9 S L -0.8875 Soluble
10 S L -0.9150 Soluble
11 L L -0.6385 Soluble
12 S L -0.7658 Soluble
13 A L -1.2234 Soluble
14 S L -1.1707 Soluble
15 V L -0.0525 Soluble
16 G L -0.9456 Soluble
17 D L -2.5814 Soluble
18 R L -2.7047 Soluble
19 V L 0.0000 Buried
20 T L -0.5420 Soluble
21 I L 0.0000 Buried
22 T L -0.7959 Soluble
24 R L -2.6768 Soluble
25 A L 0.0000 Buried
26 S L -2.0074 Soluble
27 Q L -2.2904 Soluble
28 S L -1.2493 Soluble
29 V L 0.0000 Buried
30 D L -1.1180 Soluble
31 Y L -0.3093 Soluble
34 D L -1.6714 Soluble
35 G L -1.3090 Soluble
36 D L -0.8904 Soluble
37 S L 0.0000 Buried
38 Y L -0.1575 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 -1.3743 Soluble
45 K L -1.9225 Soluble
46 P L -1.4138 Soluble
47 G L -1.7969 Soluble
48 K L -2.5999 Soluble
49 A L -1.6278 Soluble
50 P L 0.0000 Buried
51 K L -1.4974 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.6088 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.0893 Aggregation-prone
66 Y L 0.9288 Aggregation-prone
67 L L 0.5835 Aggregation-prone
68 E L -0.2115 Soluble
69 S L -0.3853 Soluble
70 G L -0.6153 Soluble
71 V L 0.0000 Buried
72 P L -0.4353 Soluble
74 S L -0.4700 Soluble
75 R L -0.7377 Soluble
76 F L 0.0000 Buried
77 S L -0.2082 Soluble
78 G L -0.1190 Soluble
79 S L -0.5627 Soluble
80 G L -1.0014 Soluble
83 S L -1.1739 Soluble
84 G L -1.1364 Soluble
85 T L -1.7203 Soluble
86 D L -1.9380 Soluble
87 F L 0.0000 Buried
88 T L -0.7165 Soluble
89 L L 0.0000 Buried
90 T L -0.6186 Soluble
91 I L 0.0000 Buried
92 S L -1.4527 Soluble
93 S L -1.4302 Soluble
94 L L 0.0000 Buried
95 Q L -1.0311 Soluble
96 P L -1.4306 Soluble
97 E L -2.1579 Soluble
98 D L 0.0000 Buried
99 F L -1.1247 Soluble
100 A L 0.0000 Buried
101 T L -0.9453 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 -1.2188 Soluble
109 E L -2.1509 Soluble
114 D L -2.4785 Soluble
115 P L 0.0000 Buried
116 Y L 0.0000 Buried
117 T L -1.2555 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.4730 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.6991 Soluble
124 V L 0.0000 Buried
125 E L -1.2775 Soluble
126 I L 0.0000 Buried
127 K L -1.8141 Soluble
128 R L -1.0287 Soluble
129 T L -0.2923 Soluble
130 V L 0.2245 Aggregation-prone
131 A L -0.0211 Soluble
132 A L -0.1229 Soluble
133 P L 0.0000 Buried
134 S L -0.1276 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 -0.6289 Soluble
140 P L -0.8626 Soluble
141 S L -1.9255 Soluble
142 D L -3.2436 Soluble
143 E L -3.2207 Soluble
144 Q L 0.0000 Buried
145 L L -2.4281 Soluble
146 K L -2.9407 Soluble
147 S L -1.8291 Soluble
148 G L -1.2859 Soluble
149 T L -1.0700 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 -0.8058 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.5824 Soluble
162 R L -2.3463 Soluble
163 E L -2.8938 Soluble
164 A L -2.1667 Soluble
165 K L -2.4316 Soluble
166 V L -1.2376 Soluble
167 Q L -0.8749 Soluble
168 W L 0.0000 Buried
169 K L -0.8591 Soluble
170 V L 0.0000 Buried
171 D L -1.9861 Soluble
172 N L -1.6683 Soluble
173 A L -0.5432 Soluble
174 L L 0.0808 Aggregation-prone
175 Q L -0.4463 Soluble
176 S L -0.5648 Soluble
177 G L -0.9178 Soluble
178 N L -0.8952 Soluble
179 S L -1.1486 Soluble
180 Q L -1.3533 Soluble
181 E L -1.9320 Soluble
182 S L -0.9819 Soluble
183 V L -0.8705 Soluble
184 T L 0.0000 Buried
185 E L -1.6572 Soluble
186 Q L 0.0000 Buried
187 D L -1.9397 Soluble
188 S L -2.0692 Soluble
189 K L -2.3627 Soluble
190 D L -1.6645 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 -0.6423 Soluble
199 L L 0.0000 Buried
200 T L -0.4341 Soluble
201 L L -0.7179 Soluble
202 S L -1.2968 Soluble
203 K L -2.1905 Soluble
204 A L -2.0239 Soluble
205 D L -2.6686 Soluble
206 Y L 0.0000 Buried
207 E L -3.7330 Soluble
208 K L -3.7725 Soluble
209 H L -3.0490 Soluble
210 K L -3.2630 Soluble
211 V L -1.3755 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8064 Soluble
216 V L 0.0000 Buried
217 T L -1.2536 Soluble
218 H L 0.0000 Buried
219 Q L -1.6806 Soluble
220 G L -0.4517 Soluble
221 L L -0.2474 Soluble
222 S L -0.4717 Soluble
223 S L -0.4323 Soluble
224 P L -0.5599 Soluble
225 V L 0.0473 Aggregation-prone
226 T L -0.4115 Soluble
227 K L -0.7491 Soluble
228 S L -0.6122 Soluble
229 F L 0.0000 Buried
230 N L -1.8920 Soluble
231 R L -2.5426 Soluble
232 G L -2.1830 Soluble
233 E L -2.5108 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 -0.7078 2.0521 CSV PDB
4.5 -0.7558 2.0532 CSV PDB
5.0 -0.811 2.0603 CSV PDB
5.5 -0.8624 2.0808 CSV PDB
6.0 -0.8984 2.114 CSV PDB
6.5 -0.9102 2.1482 CSV PDB
7.0 -0.8981 2.1734 CSV PDB
7.5 -0.8703 2.1858 CSV PDB
8.0 -0.8333 2.186 CSV PDB
8.5 -0.7892 2.1775 CSV PDB
9.0 -0.738 2.1621 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH