Omalizumab / 6tco

A4DAB191_6tco_B_A | Source PDB: 6tco | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7184
Max Score
1.3671
Min Score
-3.694
Total Score
-303.86
Score CDR
-0.3195
Score non-CDR
-0.7743

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNAPQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) B (Heavy), A (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 -3.694
Maximum Score 1.3671
Average Score -0.7184
Total Score -303.8633

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

Index Residue Chain A4D Score Classification
1 E B -2.1147 Soluble
2 V B -1.1731 Soluble
3 Q B -1.3942 Soluble
4 L B 0.0000 Buried
5 V B 0.7243 Aggregation-prone
6 E B 0.0000 Buried
7 S B -0.5221 Soluble
8 G B -1.0157 Soluble
9 G B -0.5513 Soluble
11 G B -0.2400 Soluble
12 L B 0.3601 Aggregation-prone
13 V B -0.1587 Soluble
14 Q B -1.3267 Soluble
15 P B -1.6845 Soluble
16 G B -1.5216 Soluble
17 G B -1.2890 Soluble
19 L B -1.2505 Soluble
20 R B -2.0545 Soluble
21 L B 0.0000 Buried
23 C B 0.0000 Buried
24 A B -0.1149 Soluble
25 V B 0.0000 Buried
26 S B -0.7679 Soluble
27 G B -1.1676 Soluble
28 Y B -0.4642 Soluble
29 S B -0.5386 Soluble
30 I B 0.0000 Buried
31 T B -0.5243 Soluble
35 S B 0.0701 Aggregation-prone
36 G B 0.0000 Buried
37 Y B 0.1339 Aggregation-prone
38 S B 0.0000 Buried
39 W B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 I B 0.0000 Buried
43 R B 0.0000 Buried
44 Q B -0.7241 Soluble
45 A B -1.1514 Soluble
46 P B -0.9515 Soluble
47 G B -1.4655 Soluble
48 K B -2.3710 Soluble
49 G B -1.6318 Soluble
50 L B 0.0000 Buried
51 E B -0.9026 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 S B 0.0000 Buried
56 I B 0.0000 Buried
57 T B 0.0000 Buried
58 Y B 0.2613 Aggregation-prone
59 D B -1.3741 Soluble
63 G B -0.9916 Soluble
64 S B -0.7121 Soluble
65 T B -0.4002 Soluble
66 N B -0.6246 Soluble
67 Y B -0.5768 Soluble
68 N B 0.0000 Buried
69 P B -1.2237 Soluble
70 S B -0.8382 Soluble
71 V B 0.0000 Buried
72 K B -2.0950 Soluble
74 G B -1.6641 Soluble
75 R B -1.7300 Soluble
76 I B 0.0000 Buried
77 T B -0.9602 Soluble
78 I B 0.0000 Buried
79 S B -0.7643 Soluble
80 R B -1.4654 Soluble
81 D B -2.5690 Soluble
82 D B -2.6511 Soluble
83 S B -2.1273 Soluble
84 K B -2.7550 Soluble
85 N B -1.9716 Soluble
86 T B 0.0000 Buried
87 F B 0.0000 Buried
88 Y B -0.6809 Soluble
89 L B 0.0000 Buried
90 Q B -1.5857 Soluble
91 M B 0.0000 Buried
92 N B -2.2010 Soluble
93 S B -1.6313 Soluble
94 L B 0.0000 Buried
95 R B -2.5025 Soluble
96 A B -1.7292 Soluble
97 E B -2.2730 Soluble
98 D B 0.0000 Buried
99 T B -0.6309 Soluble
100 A B 0.0000 Buried
101 V B 0.2829 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 A B 0.0000 Buried
106 R B -0.2353 Soluble
107 G B 0.0000 Buried
108 S B 0.1382 Aggregation-prone
109 H B -0.0094 Soluble
110 Y B 1.3117 Aggregation-prone
111 F B 1.3671 Aggregation-prone
112A G B 0.5721 Aggregation-prone
112 H B 0.2124 Aggregation-prone
113 W B -0.1134 Soluble
114 H B 0.0000 Buried
115 F B 0.0000 Buried
116 A B -0.1929 Soluble
117 V B -0.1343 Soluble
118 W B -0.4727 Soluble
119 G B 0.0000 Buried
120 Q B -1.4061 Soluble
121 G B -0.6043 Soluble
122 T B -0.1077 Soluble
123 L B 0.1949 Aggregation-prone
124 V B 0.0000 Buried
125 T B -0.2623 Soluble
126 V B 0.0000 Buried
127 S B -0.5850 Soluble
128 S B -0.5047 Soluble
129 A B -0.3187 Soluble
132 K B -1.9639 Soluble
133 G B -1.8037 Soluble
134 P B 0.0000 Buried
135 S B -0.6601 Soluble
136 V B 0.0000 Buried
137 F B -0.5709 Soluble
138 P B -0.9785 Soluble
139 L B 0.0000 Buried
140 A B -0.7745 Soluble
141 P B 0.0000 Buried
142 S B -0.3751 Soluble
143 G B -0.6506 Soluble
144 T B -0.4770 Soluble
145 A B -0.2429 Soluble
146 A B 0.0000 Buried
147 L B 0.0000 Buried
148 G B 0.0000 Buried
149 C B 0.0000 Buried
150 L B 0.0000 Buried
151 V B 0.0000 Buried
152 K B 0.0000 Buried
153 D B -0.5412 Soluble
154 Y B 0.0000 Buried
155 F B -0.4397 Soluble
156 P B 0.0000 Buried
157 E B -0.5775 Soluble
158 P B -0.6553 Soluble
159 V B -0.5609 Soluble
160 T B -0.4914 Soluble
161 V B -0.1152 Soluble
162 S B -0.3242 Soluble
163 W B 0.0000 Buried
164 N B -0.7091 Soluble
165 S B -0.6297 Soluble
166 G B -0.5135 Soluble
167 A B -0.2237 Soluble
168 L B 0.0164 Aggregation-prone
169 T B -0.1566 Soluble
170 S B -0.1805 Soluble
171 G B -0.2028 Soluble
172 V B 0.1722 Aggregation-prone
173 H B -0.2570 Soluble
174 T B 0.1195 Aggregation-prone
175 F B -0.2061 Soluble
176 P B -0.2211 Soluble
177 A B 0.3588 Aggregation-prone
178 V B 0.5684 Aggregation-prone
179 L B 1.3342 Aggregation-prone
180 Q B 0.2733 Aggregation-prone
181 S B -0.0679 Soluble
182 S B -0.2549 Soluble
183 G B 0.0122 Aggregation-prone
184 L B 0.0242 Aggregation-prone
185 Y B 0.4392 Aggregation-prone
186 S B 0.0000 Buried
187 L B 0.4688 Aggregation-prone
189 S B 0.0000 Buried
190 V B 0.0000 Buried
191 V B 0.0000 Buried
192 T B -0.1320 Soluble
193 V B 0.0000 Buried
194 P B -0.5043 Soluble
195 S B -0.5425 Soluble
196 S B -0.6370 Soluble
197 S B -0.7029 Soluble
198 L B -0.8926 Soluble
199 G B -1.0327 Soluble
200 T B -0.8253 Soluble
201 Q B -1.4061 Soluble
202 T B -1.2056 Soluble
203 Y B 0.0000 Buried
204 I B -1.2572 Soluble
205 C B 0.0000 Buried
206 N B -1.3251 Soluble
207 V B 0.0000 Buried
208 N B -1.7070 Soluble
209 H B 0.0000 Buried
210 K B -2.7601 Soluble
211 P B -1.8273 Soluble
212 S B -2.1100 Soluble
213 N B -2.7073 Soluble
214 T B -2.1699 Soluble
215 K B -2.5791 Soluble
216 V B -1.3821 Soluble
217 D B -2.2032 Soluble
218 K B -2.0101 Soluble
219 K B -2.3393 Soluble
220 V B 0.0000 Buried
221 E B -2.3976 Soluble
222 P B -1.1464 Soluble
1 D A -2.5634 Soluble
2 I A 0.0000 Buried
3 Q A -2.2719 Soluble
4 L A 0.0000 Buried
5 T A -1.4496 Soluble
6 Q A 0.0000 Buried
8 P A -0.6769 Soluble
10 S A -0.9946 Soluble
11 L A -0.6719 Soluble
12 S A -0.7009 Soluble
13 A A -1.0740 Soluble
14 S A -1.0598 Soluble
15 V A -0.1895 Soluble
16 G A -1.1748 Soluble
17 D A -2.6460 Soluble
18 R A -2.7547 Soluble
19 V A 0.0000 Buried
20 T A -0.7392 Soluble
21 I A 0.0000 Buried
22 T A -0.8240 Soluble
23 C A 0.0000 Buried
24 R A -2.6604 Soluble
25 A A 0.0000 Buried
26 S A -1.8201 Soluble
27 Q A -1.8575 Soluble
28 S A -1.0782 Soluble
29 V A 0.0000 Buried
30 D A -1.1222 Soluble
31 Y A -0.3148 Soluble
34 D A -1.6787 Soluble
35 G A -1.3073 Soluble
36 D A -0.8010 Soluble
37 S A 0.0000 Buried
38 Y A -0.0750 Soluble
39 M A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A -1.0425 Soluble
44 Q A -1.4477 Soluble
45 K A -1.9963 Soluble
46 P A -1.5489 Soluble
47 G A -1.6930 Soluble
48 K A -2.6064 Soluble
49 A A -1.6309 Soluble
50 P A 0.0000 Buried
51 K A -1.5492 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 0.6346 Aggregation-prone
56 A A 0.0000 Buried
57 A A 0.0000 Buried
65 S A 0.0947 Aggregation-prone
66 Y A 0.9314 Aggregation-prone
67 L A 0.6076 Aggregation-prone
68 E A -0.1807 Soluble
69 S A -0.3670 Soluble
70 G A -0.6074 Soluble
71 V A 0.0000 Buried
72 P A -0.4388 Soluble
74 S A -0.4679 Soluble
75 R A -0.7315 Soluble
76 F A 0.0000 Buried
77 S A -0.2183 Soluble
78 G A -0.1141 Soluble
79 S A -0.5777 Soluble
80 G A -1.0296 Soluble
83 S A -1.0310 Soluble
84 G A -1.0999 Soluble
85 T A -1.6594 Soluble
86 D A -2.0507 Soluble
87 F A 0.0000 Buried
88 T A -0.7485 Soluble
89 L A 0.0000 Buried
90 T A -0.6291 Soluble
91 I A 0.0000 Buried
92 S A -1.4627 Soluble
93 S A -1.4788 Soluble
94 L A 0.0000 Buried
95 Q A -1.0281 Soluble
96 P A -1.3909 Soluble
97 E A -1.9968 Soluble
98 D A 0.0000 Buried
99 F A -1.1009 Soluble
100 A A 0.0000 Buried
101 T A -1.1453 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 S A 0.0000 Buried
108 H A -0.9073 Soluble
109 E A -1.6865 Soluble
114 D A -1.9210 Soluble
115 P A 0.0000 Buried
116 Y A 0.0000 Buried
117 T A -1.1667 Soluble
118 F A 0.0000 Buried
119 G A 0.0000 Buried
120 Q A -1.9373 Soluble
121 G A -1.4244 Soluble
122 T A 0.0000 Buried
123 K A -2.0254 Soluble
124 V A 0.0000 Buried
125 E A -1.1647 Soluble
126 I A 0.0000 Buried
127 K A -1.3039 Soluble
128 R A -0.7239 Soluble
129 T A -0.0841 Soluble
130 V A 0.1398 Aggregation-prone
131 A A -0.1945 Soluble
132 A A -0.1689 Soluble
133 P A 0.0000 Buried
134 S A -0.1508 Soluble
135 V A 0.0000 Buried
136 F A -0.0048 Soluble
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.6176 Soluble
140 P A -0.7560 Soluble
141 S A -1.5055 Soluble
142 D A -2.7758 Soluble
143 E A -2.6539 Soluble
144 Q A 0.0000 Buried
145 L A -2.2811 Soluble
146 K A -2.7335 Soluble
147 S A -1.7605 Soluble
148 G A -1.2950 Soluble
149 T A -0.9532 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A -0.1233 Soluble
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A 0.0000 Buried
158 N A -0.9257 Soluble
159 F A 0.0000 Buried
160 Y A 0.0000 Buried
161 P A -1.7096 Soluble
162 R A -2.7867 Soluble
163 E A -3.0479 Soluble
164 A A -2.2771 Soluble
165 K A -2.3931 Soluble
166 V A -1.2513 Soluble
167 Q A -1.0253 Soluble
168 W A 0.0000 Buried
169 K A -1.3139 Soluble
170 V A 0.0000 Buried
171 D A -2.0901 Soluble
172 N A -1.9038 Soluble
173 A A -1.1101 Soluble
174 P A -1.1136 Soluble
175 Q A -1.1712 Soluble
176 S A -1.0678 Soluble
177 G A -1.3350 Soluble
178 N A -1.6720 Soluble
179 S A -1.6772 Soluble
180 Q A -1.8651 Soluble
181 E A -2.1057 Soluble
182 S A -1.0955 Soluble
183 V A -0.9242 Soluble
184 T A 0.0000 Buried
185 E A -2.1544 Soluble
186 Q A 0.0000 Buried
187 D A -1.9047 Soluble
188 S A -2.0781 Soluble
189 K A -2.4689 Soluble
190 D A -2.0219 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A 0.0000 Buried
194 S A 0.0000 Buried
195 L A 0.0000 Buried
197 S A -0.9909 Soluble
198 T A -0.8444 Soluble
199 L A 0.0000 Buried
200 T A -0.6975 Soluble
201 L A -0.9275 Soluble
202 S A -1.3968 Soluble
203 K A -2.2998 Soluble
204 A A -2.1008 Soluble
205 D A -2.7350 Soluble
206 Y A 0.0000 Buried
207 E A -3.6940 Soluble
208 K A -3.6882 Soluble
209 H A -2.9434 Soluble
210 K A -2.8518 Soluble
211 V A -1.3637 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.9786 Soluble
216 V A 0.0000 Buried
217 T A -1.2041 Soluble
218 H A 0.0000 Buried
219 Q A -1.7216 Soluble
220 G A -0.4863 Soluble
221 L A -0.2336 Soluble
222 S A -0.4508 Soluble
223 S A -0.3894 Soluble
224 P A -0.5032 Soluble
225 V A 0.0349 Aggregation-prone
226 T A -0.5185 Soluble
227 K A -0.7837 Soluble
228 S A -0.7509 Soluble
229 F A -0.8899 Soluble
230 N A -1.9176 Soluble
231 R A -2.2073 Soluble
232 G A -1.3915 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.67 2.1317 CSV PDB
4.5 -0.7185 2.1279 CSV PDB
5.0 -0.7741 2.1287 CSV PDB
5.5 -0.8264 2.1428 CSV PDB
6.0 -0.8644 2.1747 CSV PDB
6.5 -0.8799 2.2152 CSV PDB
7.0 -0.8731 2.2483 CSV PDB
7.5 -0.8515 2.2654 CSV PDB
8.0 -0.8211 2.2675 CSV PDB
8.5 -0.7833 2.2602 CSV PDB
9.0 -0.7381 2.2463 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH