Omalizumab / 6tcr

A4DAB191_6tcr_H_L | Source PDB: 6tcr | Chains: H, L | Done
99.14
Yes
10 Å
Yes
Avg A4D Score
-0.7282
Max Score
2.0431
Min Score
-3.6775
Total Score
-305.11
Score CDR
-0.3885
Score non-CDR
-0.7753

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISRLRPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNAPQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG 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 -3.6775
Maximum Score 2.0431
Average Score -0.7282
Total Score -305.1064

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

Index Residue Chain A4D Score Classification
2 V H 1.2552 Aggregation-prone
3 Q H -0.1879 Soluble
4 L H 0.0000 Buried
5 V H 0.6742 Aggregation-prone
6 E H -0.1081 Soluble
7 S H -0.5295 Soluble
8 G H -1.1550 Soluble
9 G H -0.6944 Soluble
11 G H -0.3972 Soluble
12 L H -0.0142 Soluble
13 V H -0.7340 Soluble
14 Q H -1.4972 Soluble
15 P H -1.4602 Soluble
16 G H -1.4870 Soluble
17 G H -1.2705 Soluble
18 S H -1.6227 Soluble
19 L H 0.0000 Buried
20 R H -2.3223 Soluble
21 L H 0.0000 Buried
22 S H -0.5041 Soluble
23 C H 0.0000 Buried
24 A H -0.4297 Soluble
25 V H 0.0000 Buried
26 S H 0.4621 Aggregation-prone
27 G H 0.0188 Aggregation-prone
28 Y H 1.7539 Aggregation-prone
30 I H 2.0431 Aggregation-prone
31 T H 0.0000 Buried
35 S H 0.2561 Aggregation-prone
36 G H 0.0621 Aggregation-prone
37 Y H 0.3381 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 -0.7379 Soluble
45 A H -1.1766 Soluble
46 P H -1.1468 Soluble
47 G H -1.4712 Soluble
48 K H -2.3140 Soluble
49 G H -1.5258 Soluble
50 L H 0.0000 Buried
51 E H -0.8462 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 A H 0.0000 Buried
55 S H -0.2699 Soluble
56 I H 0.0000 Buried
57 T H -0.2209 Soluble
58 Y H -0.0318 Soluble
59 D H -1.3881 Soluble
63 G H -1.0004 Soluble
64 S H -0.7530 Soluble
65 T H -0.5255 Soluble
66 N H -1.0285 Soluble
67 Y H -1.0289 Soluble
68 N H 0.0000 Buried
69 P H -1.5378 Soluble
70 S H -0.9318 Soluble
71 V H 0.0000 Buried
72 K H -2.1817 Soluble
74 G H -1.6199 Soluble
75 R H -1.4655 Soluble
76 I H 0.0000 Buried
77 T H -0.9394 Soluble
78 I H 0.0000 Buried
79 S H -0.6298 Soluble
80 R H -1.2039 Soluble
81 D H -2.1776 Soluble
82 D H -2.5723 Soluble
83 S H -2.2308 Soluble
84 K H -2.7788 Soluble
85 N H -1.6424 Soluble
86 T H -1.3341 Soluble
87 F H 0.0000 Buried
88 Y H -0.5246 Soluble
89 L H 0.0000 Buried
90 Q H -1.4925 Soluble
91 M H 0.0000 Buried
92 N H -1.9435 Soluble
93 S H -1.4712 Soluble
94 L H 0.0000 Buried
95 R H -2.2839 Soluble
96 A H -1.4945 Soluble
97 E H -2.1899 Soluble
98 D H 0.0000 Buried
99 T H -0.5958 Soluble
100 A H 0.0000 Buried
101 V H 0.1971 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.0578 Soluble
107 G H 0.0000 Buried
108 S H -0.2564 Soluble
109 H H -0.4093 Soluble
110 Y H 0.5262 Aggregation-prone
111 F H 1.4405 Aggregation-prone
112A G H 0.2401 Aggregation-prone
112 H H -0.2241 Soluble
113 W H 0.0116 Aggregation-prone
114 H H 0.0000 Buried
115 F H 0.0000 Buried
116 A H -0.2351 Soluble
117 V H -0.0223 Soluble
118 W H -0.3243 Soluble
119 G H 0.0000 Buried
120 Q H -1.3761 Soluble
121 G H -0.6471 Soluble
122 T H -0.2158 Soluble
123 L H 0.0354 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.2870 Soluble
126 V H -0.7109 Soluble
127 S H -0.5963 Soluble
128 S H -0.6162 Soluble
129 A H -0.3447 Soluble
130 S H -0.5065 Soluble
131 T H -0.5577 Soluble
132 K H -1.1171 Soluble
133 G H -1.3074 Soluble
134 P H -0.5196 Soluble
135 S H -0.4617 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.1626 Soluble
139 L H 0.0000 Buried
140 A H -0.8401 Soluble
141 P H -0.5131 Soluble
142 T H -0.2916 Soluble
143 A H -0.1623 Soluble
144 A H 0.0000 Buried
145 L H 0.0000 Buried
146 G H 0.0000 Buried
147 C H 0.0000 Buried
148 L H 0.0000 Buried
149 V H 0.0000 Buried
150 K H 0.0000 Buried
151 D H -0.2984 Soluble
152 Y H 0.0000 Buried
153 F H -0.2270 Soluble
154 P H 0.0000 Buried
155 E H -0.6331 Soluble
156 P H -0.8271 Soluble
157 V H -0.6650 Soluble
158 T H -0.5153 Soluble
159 V H -0.2166 Soluble
160 S H -0.2714 Soluble
161 W H 0.0000 Buried
162 N H -0.6087 Soluble
163 S H -0.5697 Soluble
164 G H -0.4823 Soluble
165 A H -0.1870 Soluble
166 L H 0.0987 Aggregation-prone
167 T H -0.1041 Soluble
169 G H -0.3552 Soluble
170 V H 0.1201 Aggregation-prone
171 H H -0.3204 Soluble
172 T H -0.1782 Soluble
173 F H 0.0000 Buried
174 P H -0.2993 Soluble
175 A H 0.1578 Aggregation-prone
176 V H 0.4441 Aggregation-prone
177 L H 1.2160 Aggregation-prone
178 Q H 0.2860 Aggregation-prone
179 S H -0.0681 Soluble
180 S H -0.2205 Soluble
181 G H 0.0476 Aggregation-prone
182 L H 0.1975 Aggregation-prone
183 Y H 0.4681 Aggregation-prone
184 S H 0.0000 Buried
185 L H 0.0000 Buried
186 S H -0.0173 Soluble
187 S H 0.0000 Buried
188 V H 0.0000 Buried
189 V H 0.0000 Buried
190 T H -0.2120 Soluble
191 V H 0.0000 Buried
192 P H -0.5353 Soluble
193 S H -0.4837 Soluble
194 S H -0.6052 Soluble
195 S H -0.7105 Soluble
196 L H -0.9555 Soluble
197 G H -1.0943 Soluble
198 T H -0.8712 Soluble
199 Q H -1.5138 Soluble
200 T H -1.2047 Soluble
201 Y H 0.0000 Buried
202 I H -0.9887 Soluble
203 C H 0.0000 Buried
204 N H 0.0000 Buried
205 V H 0.0000 Buried
206 N H -1.6550 Soluble
207 H H 0.0000 Buried
208 K H -2.7591 Soluble
209 P H -1.6136 Soluble
210 S H -1.8156 Soluble
211 N H -2.5259 Soluble
212 T H -2.0184 Soluble
213 K H -2.4847 Soluble
214 V H -1.3368 Soluble
215 D H -1.8754 Soluble
216 K H -1.7519 Soluble
217 K H -2.1248 Soluble
218 V H 0.0000 Buried
219 E H -2.4714 Soluble
220 P H -1.3594 Soluble
1 D L -2.9155 Soluble
2 I L 0.0000 Buried
3 Q L -2.3130 Soluble
4 L L 0.0000 Buried
5 T L -1.4114 Soluble
6 Q L -1.1038 Soluble
8 P L -0.5543 Soluble
9 S L -0.8049 Soluble
10 S L -0.7980 Soluble
11 L L -0.5887 Soluble
12 S L -0.9127 Soluble
13 A L -1.1133 Soluble
14 S L -1.2147 Soluble
15 V L -0.7147 Soluble
16 G L -1.5549 Soluble
17 D L -2.5466 Soluble
18 R L -2.9190 Soluble
19 V L 0.0000 Buried
20 T L -0.6463 Soluble
22 T L -0.8571 Soluble
23 C L 0.0000 Buried
24 R L -2.7174 Soluble
25 A L 0.0000 Buried
26 S L -1.9666 Soluble
27 Q L -2.2147 Soluble
28 S L -1.3135 Soluble
29 V L 0.0000 Buried
30 D L -1.2851 Soluble
31 Y L -0.2450 Soluble
34 D L -1.5246 Soluble
35 G L -1.3512 Soluble
36 D L -0.6959 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 -1.0649 Soluble
45 K L -1.4256 Soluble
46 P L -1.1389 Soluble
47 G L -1.5164 Soluble
48 K L -2.0601 Soluble
49 A L -1.4131 Soluble
50 P L 0.0000 Buried
51 K L -1.3282 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.4837 Aggregation-prone
56 A L 0.0000 Buried
57 A L 0.0000 Buried
65 S L 0.0591 Aggregation-prone
66 Y L 0.7156 Aggregation-prone
67 L L 0.4697 Aggregation-prone
68 E L -0.2822 Soluble
69 S L -0.3981 Soluble
70 G L -0.5573 Soluble
71 V L -0.3792 Soluble
72 P L -0.3184 Soluble
74 S L -0.5932 Soluble
75 R L -1.2476 Soluble
76 F L 0.0000 Buried
77 S L -0.1690 Soluble
78 G L -0.1533 Soluble
80 G L -1.1107 Soluble
83 S L -1.2525 Soluble
84 G L -1.2865 Soluble
85 T L -1.7699 Soluble
86 D L -1.9446 Soluble
87 F L 0.0000 Buried
88 T L -0.7399 Soluble
89 L L 0.0000 Buried
90 T L -0.8416 Soluble
91 I L 0.0000 Buried
92 S L -2.2861 Soluble
93 R L -3.1069 Soluble
94 L L 0.0000 Buried
95 R L -2.2837 Soluble
96 P L -2.0240 Soluble
97 E L -2.2248 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 T L -0.7925 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 -1.5244 Soluble
109 E L -3.1159 Soluble
114 D L -3.1134 Soluble
115 P L -2.1906 Soluble
116 Y L -1.5326 Soluble
117 T L -1.3296 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.5561 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.3747 Soluble
124 V L 0.0000 Buried
125 E L -1.4137 Soluble
126 I L 0.0000 Buried
127 K L -1.3591 Soluble
128 R L -0.8947 Soluble
129 T L -0.1456 Soluble
130 V L 0.2255 Aggregation-prone
131 A L 0.0227 Aggregation-prone
132 A L -0.2367 Soluble
133 P L 0.0000 Buried
134 S L -0.2038 Soluble
135 V L 0.0000 Buried
136 F L 0.2049 Aggregation-prone
137 I L 0.1992 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.6245 Soluble
140 P L 0.0000 Buried
141 S L -1.7728 Soluble
142 D L -3.1478 Soluble
143 E L -3.3317 Soluble
144 Q L 0.0000 Buried
145 L L -2.4480 Soluble
146 K L -3.0437 Soluble
147 S L -1.9550 Soluble
148 G L -1.3746 Soluble
149 T L -1.3274 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 -0.9901 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6632 Soluble
162 R L -2.8215 Soluble
163 E L -3.1245 Soluble
164 A L -2.3119 Soluble
165 K L -2.5539 Soluble
166 V L -1.0387 Soluble
167 Q L -0.8974 Soluble
168 W L 0.0000 Buried
169 K L -1.3475 Soluble
170 V L 0.0000 Buried
171 D L -2.3987 Soluble
172 N L -2.1092 Soluble
173 A L -1.2092 Soluble
174 P L -1.1808 Soluble
175 Q L -1.1565 Soluble
177 G L -0.8946 Soluble
178 N L -0.8697 Soluble
179 S L -1.2063 Soluble
180 Q L -1.5479 Soluble
181 E L -2.2223 Soluble
182 S L -1.0873 Soluble
183 V L -1.0135 Soluble
184 T L -0.9774 Soluble
185 E L -1.8008 Soluble
186 Q L 0.0000 Buried
187 D L -1.9217 Soluble
188 S L -2.2601 Soluble
189 K L -2.7365 Soluble
190 D L -2.0062 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
197 S L -1.1265 Soluble
198 T L -0.7362 Soluble
199 L L 0.0000 Buried
200 T L -0.4878 Soluble
201 L L -0.7469 Soluble
202 S L -1.1791 Soluble
203 K L -2.1563 Soluble
204 A L -2.0126 Soluble
205 D L -2.9139 Soluble
206 Y L 0.0000 Buried
207 E L -3.4239 Soluble
208 K L -3.6775 Soluble
209 H L -3.3013 Soluble
210 K L -3.3327 Soluble
211 V L -1.8328 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.8876 Soluble
216 V L 0.0000 Buried
218 H L -1.6174 Soluble
219 Q L -1.8285 Soluble
220 G L -0.5879 Soluble
221 L L -0.2977 Soluble
222 S L -0.5014 Soluble
223 S L -0.4619 Soluble
224 P L -0.6270 Soluble
225 V L -0.0942 Soluble
226 T L -0.4615 Soluble
227 K L -0.6343 Soluble
228 S L -0.6741 Soluble
229 F L -0.9504 Soluble
230 N L -2.1427 Soluble
231 R L -2.4106 Soluble
232 G L -1.4607 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 -0.6889 3.6522 CSV PDB
4.5 -0.7403 3.6162 CSV PDB
5.0 -0.7991 3.5771 CSV PDB
5.5 -0.855 3.5466 CSV PDB
6.0 -0.8967 3.5386 CSV PDB
6.5 -0.9155 3.5556 CSV PDB
7.0 -0.9117 3.5746 CSV PDB
7.5 -0.8931 3.5703 CSV PDB
8.0 -0.8655 3.5429 CSV PDB
8.5 -0.8301 3.5065 CSV PDB
9.0 -0.7868 3.4738 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH