Omalizumab / 4x7t

A4DAB191_4x7t_A_B | Source PDB: 4x7t | Chains: A, B | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7113
Max Score
1.416
Min Score
-3.6464
Total Score
-312.96
Score CDR
-0.3958
Score non-CDR
-0.7536

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) A (Heavy), B (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 -3.6464
Maximum Score 1.416
Average Score -0.7113
Total Score -312.9631

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

Index Residue Chain A4D Score Classification
1 E A -2.1518 Soluble
2 V A -1.3394 Soluble
3 Q A -1.4069 Soluble
4 L A 0.0000 Buried
5 V A 0.8766 Aggregation-prone
6 E A 0.0000 Buried
7 S A -0.4985 Soluble
8 G A -1.1044 Soluble
9 G A -0.6004 Soluble
11 G A -0.3182 Soluble
12 L A -0.0615 Soluble
13 V A 0.0000 Buried
14 Q A -1.6412 Soluble
15 P A -1.5457 Soluble
16 G A -1.5007 Soluble
17 G A -1.3008 Soluble
18 S A -1.7007 Soluble
19 L A 0.0000 Buried
20 R A -2.4656 Soluble
21 L A 0.0000 Buried
22 S A -0.5905 Soluble
23 C A 0.0000 Buried
24 A A -0.1814 Soluble
25 V A 0.0000 Buried
26 S A -0.8244 Soluble
27 G A -1.2585 Soluble
28 Y A -0.5701 Soluble
29 S A -0.4087 Soluble
30 I A 0.0000 Buried
31 T A -0.5036 Soluble
35 S A 0.0728 Aggregation-prone
36 G A 0.0000 Buried
37 Y A 0.1317 Aggregation-prone
38 S A 0.0000 Buried
39 W A 0.0000 Buried
40 N A 0.0000 Buried
41 W A 0.0000 Buried
42 I A 0.0000 Buried
43 R A 0.0000 Buried
44 Q A -0.7142 Soluble
45 A A -1.1546 Soluble
46 P A -0.9620 Soluble
47 G A -1.4626 Soluble
48 K A -2.3794 Soluble
49 G A -1.6320 Soluble
50 L A 0.0000 Buried
51 E A -0.8996 Soluble
52 W A 0.0000 Buried
53 V A 0.0000 Buried
54 A A 0.0000 Buried
55 S A 0.0000 Buried
56 I A 0.0000 Buried
57 T A -0.1418 Soluble
58 Y A 0.3199 Aggregation-prone
59 D A -1.3316 Soluble
63 G A -0.9750 Soluble
64 S A -0.7202 Soluble
65 T A -0.4876 Soluble
66 N A -0.8870 Soluble
67 Y A -0.9063 Soluble
68 N A 0.0000 Buried
69 P A -1.4249 Soluble
70 S A -0.9153 Soluble
71 V A 0.0000 Buried
72 K A -2.1873 Soluble
74 G A -1.6092 Soluble
75 R A -1.5252 Soluble
76 I A 0.0000 Buried
77 T A -1.0720 Soluble
78 I A 0.0000 Buried
79 S A -0.7353 Soluble
80 R A -1.4715 Soluble
81 D A -2.2131 Soluble
82 D A -2.5290 Soluble
83 S A -2.0551 Soluble
84 K A -2.6220 Soluble
85 N A -1.9492 Soluble
86 T A 0.0000 Buried
87 F A 0.0000 Buried
88 Y A -0.7845 Soluble
89 L A 0.0000 Buried
90 Q A -1.7494 Soluble
91 M A 0.0000 Buried
92 N A -1.9051 Soluble
93 S A -1.4114 Soluble
94 L A 0.0000 Buried
95 R A -2.4442 Soluble
96 A A -1.7438 Soluble
97 E A -2.2603 Soluble
98 D A 0.0000 Buried
99 T A -0.6943 Soluble
100 A A 0.0000 Buried
101 V A 0.2372 Aggregation-prone
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 A A 0.0000 Buried
106 R A -0.1960 Soluble
107 G A 0.0000 Buried
108 S A 0.1104 Aggregation-prone
109 H A -0.1057 Soluble
110 Y A 1.2637 Aggregation-prone
111 F A 1.4160 Aggregation-prone
112A G A 0.3883 Aggregation-prone
112 H A 0.2021 Aggregation-prone
113 W A -0.2530 Soluble
114 H A 0.0000 Buried
115 F A 0.0000 Buried
116 A A -0.1636 Soluble
117 V A -0.0828 Soluble
118 W A -0.4486 Soluble
119 G A 0.0000 Buried
120 Q A -1.3726 Soluble
121 G A -0.5950 Soluble
122 T A -0.0838 Soluble
123 L A 0.1452 Aggregation-prone
124 V A 0.0000 Buried
125 T A -0.3952 Soluble
126 V A 0.0000 Buried
127 S A -0.7393 Soluble
128 S A -0.6921 Soluble
129 A A -0.5127 Soluble
130 S A -0.6522 Soluble
131 T A -1.0587 Soluble
132 K A -1.5658 Soluble
133 G A -1.6858 Soluble
134 P A 0.0000 Buried
135 S A -0.3595 Soluble
136 V A 0.0000 Buried
137 F A -0.4819 Soluble
138 P A -0.9000 Soluble
139 L A 0.0000 Buried
140 A A -0.9947 Soluble
141 P A 0.0000 Buried
142 S A -0.9385 Soluble
143 S A -1.5411 Soluble
144 K A -1.9614 Soluble
145 S A -1.3710 Soluble
146 T A -0.9140 Soluble
147 S A -0.7931 Soluble
148 G A -1.1033 Soluble
149 G A -0.6719 Soluble
150 T A -0.4851 Soluble
151 A A 0.0000 Buried
152 A A 0.0000 Buried
153 L A 0.0000 Buried
154 G A 0.0000 Buried
155 C A 0.0000 Buried
156 L A 0.0000 Buried
157 V A 0.0000 Buried
158 K A 0.0000 Buried
159 D A -0.7064 Soluble
160 Y A 0.0000 Buried
161 F A 0.0000 Buried
162 P A 0.0000 Buried
163 E A -0.6034 Soluble
164 P A -0.7830 Soluble
165 V A -0.7551 Soluble
166 T A -0.6487 Soluble
167 V A -0.2717 Soluble
168 S A -0.4336 Soluble
169 W A 0.0000 Buried
170 N A -0.7429 Soluble
171 S A -0.6752 Soluble
172 G A -0.5368 Soluble
173 A A -0.2481 Soluble
174 L A -0.0119 Soluble
175 T A -0.1664 Soluble
176 S A -0.1842 Soluble
177 G A -0.2263 Soluble
178 V A 0.1757 Aggregation-prone
179 H A 0.0000 Buried
180 T A -0.0770 Soluble
181 F A 0.0000 Buried
182 P A -0.3410 Soluble
183 A A 0.1623 Aggregation-prone
184 V A 0.4350 Aggregation-prone
185 L A 1.1418 Aggregation-prone
186 Q A 0.2061 Aggregation-prone
187 S A -0.0847 Soluble
188 S A -0.2730 Soluble
189 G A -0.0484 Soluble
190 L A -0.0168 Soluble
191 Y A 0.3384 Aggregation-prone
192 S A 0.1701 Aggregation-prone
193 L A 0.0000 Buried
194 S A 0.0000 Buried
195 S A 0.0000 Buried
196 V A 0.0000 Buried
197 V A 0.0000 Buried
198 T A -0.1166 Soluble
199 V A 0.0000 Buried
200 P A -0.4708 Soluble
201 S A -0.7928 Soluble
202 S A -0.6029 Soluble
203 S A -0.4985 Soluble
204 L A -0.7798 Soluble
205 G A -0.9496 Soluble
206 T A -0.6010 Soluble
207 Q A -0.9446 Soluble
208 T A -0.9602 Soluble
209 Y A 0.0000 Buried
210 I A -1.2192 Soluble
211 C A 0.0000 Buried
212 N A -1.4756 Soluble
213 V A 0.0000 Buried
214 N A -2.1782 Soluble
215 H A 0.0000 Buried
216 K A -2.8330 Soluble
217 P A -1.6687 Soluble
218 S A -1.9828 Soluble
219 N A -2.6828 Soluble
220 T A -2.2058 Soluble
221 K A -2.7987 Soluble
222 V A -1.6423 Soluble
223 D A -2.5471 Soluble
224 K A -2.1122 Soluble
225 K A -2.4112 Soluble
226 V A 0.0000 Buried
227 E A -2.7819 Soluble
228 P A -2.1555 Soluble
229 K A -2.3604 Soluble
1 D B -2.8656 Soluble
2 I B 0.0000 Buried
3 Q B -2.2670 Soluble
4 L B 0.0000 Buried
5 T B -1.4160 Soluble
6 Q B 0.0000 Buried
7 S B -0.7777 Soluble
8 P B -0.7397 Soluble
9 S B -1.0550 Soluble
10 S B -1.0299 Soluble
11 L B -0.7172 Soluble
12 S B -0.7657 Soluble
13 A B -1.1383 Soluble
14 S B -1.1671 Soluble
15 V B -0.3956 Soluble
16 G B -1.0920 Soluble
17 D B -2.4484 Soluble
18 R B -2.6797 Soluble
19 V B 0.0000 Buried
20 T B -0.6821 Soluble
21 I B 0.0000 Buried
22 T B -0.7981 Soluble
23 C B 0.0000 Buried
24 R B -2.6739 Soluble
25 A B 0.0000 Buried
26 S B -2.0077 Soluble
27 Q B -2.3254 Soluble
28 S B -1.3128 Soluble
29 V B 0.0000 Buried
30 D B -1.1953 Soluble
31 Y B -0.3389 Soluble
34 D B -1.7410 Soluble
35 G B -1.3533 Soluble
36 D B -0.8684 Soluble
37 S B 0.0000 Buried
38 Y B -0.2182 Soluble
39 M B 0.0000 Buried
40 N B 0.0000 Buried
41 W B 0.0000 Buried
42 Y B 0.0000 Buried
43 Q B 0.0000 Buried
44 Q B -1.3282 Soluble
45 K B -1.7938 Soluble
46 P B -1.2989 Soluble
47 G B -1.7525 Soluble
48 K B -2.5369 Soluble
49 A B -1.5939 Soluble
50 P B 0.0000 Buried
51 K B -1.5237 Soluble
52 L B 0.0000 Buried
53 L B 0.0000 Buried
54 I B 0.0000 Buried
55 Y B 0.8231 Aggregation-prone
56 A B 0.0000 Buried
57 A B 0.0000 Buried
65 S B 0.2346 Aggregation-prone
66 Y B 1.2041 Aggregation-prone
67 L B 0.7222 Aggregation-prone
68 E B -0.1076 Soluble
69 S B -0.2966 Soluble
70 G B -0.5250 Soluble
71 V B -0.3805 Soluble
72 P B -0.3522 Soluble
74 S B -0.4752 Soluble
75 R B -0.8164 Soluble
76 F B 0.0000 Buried
77 S B -0.1832 Soluble
78 G B -0.0325 Soluble
79 S B -0.4980 Soluble
80 G B -0.9582 Soluble
83 S B -1.0012 Soluble
84 G B -1.1627 Soluble
85 T B -1.7251 Soluble
86 D B -1.9675 Soluble
87 F B 0.0000 Buried
88 T B -0.7060 Soluble
89 L B 0.0000 Buried
90 T B -0.6520 Soluble
91 I B 0.0000 Buried
92 S B -1.5418 Soluble
93 S B -1.4654 Soluble
94 L B 0.0000 Buried
95 Q B -1.1889 Soluble
96 P B -1.5573 Soluble
97 E B -2.3244 Soluble
98 D B 0.0000 Buried
99 F B -1.1511 Soluble
100 A B 0.0000 Buried
101 T B -1.0486 Soluble
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 Q B 0.0000 Buried
106 Q B 0.0000 Buried
107 S B 0.0000 Buried
108 H B -1.4339 Soluble
109 E B -2.8504 Soluble
114 D B -2.5909 Soluble
115 P B 0.0000 Buried
116 Y B 0.0000 Buried
117 T B -1.2960 Soluble
118 F B 0.0000 Buried
119 G B 0.0000 Buried
120 Q B -1.8737 Soluble
121 G B 0.0000 Buried
122 T B 0.0000 Buried
123 K B -2.0130 Soluble
124 V B 0.0000 Buried
125 E B -1.0623 Soluble
126 I B 0.0000 Buried
127 K B -1.4849 Soluble
128 R B -0.8412 Soluble
129 T B -0.0744 Soluble
130 V B 0.6441 Aggregation-prone
131 A B 0.2085 Aggregation-prone
132 A B -0.0639 Soluble
133 P B 0.0000 Buried
134 S B -0.0827 Soluble
135 V B 0.0831 Aggregation-prone
136 F B 0.2366 Aggregation-prone
137 I B 0.1735 Aggregation-prone
138 F B 0.0000 Buried
139 P B -0.4510 Soluble
140 P B -0.6790 Soluble
141 S B -1.4928 Soluble
142 D B -2.6377 Soluble
143 E B -2.0234 Soluble
144 Q B 0.0000 Buried
145 L B -1.9898 Soluble
146 K B -2.4938 Soluble
147 S B -1.5694 Soluble
148 G B -1.1895 Soluble
149 T B -0.9400 Soluble
150 A B 0.0000 Buried
151 S B 0.0000 Buried
152 V B 0.0000 Buried
153 V B 0.0000 Buried
154 C B 0.0000 Buried
155 L B 0.0000 Buried
156 L B 0.0000 Buried
157 N B 0.0000 Buried
158 N B -0.8588 Soluble
159 F B 0.0000 Buried
160 Y B 0.0000 Buried
161 P B -1.8066 Soluble
162 R B -3.1908 Soluble
163 E B -3.2518 Soluble
164 A B -2.3302 Soluble
165 K B -2.3609 Soluble
166 V B -1.1092 Soluble
167 Q B -0.5150 Soluble
168 W B 0.0000 Buried
169 K B -0.5795 Soluble
170 V B 0.0000 Buried
171 D B -2.0570 Soluble
172 N B -1.4331 Soluble
173 A B -0.3050 Soluble
174 L B 0.7664 Aggregation-prone
175 Q B -0.0422 Soluble
176 S B -0.3510 Soluble
177 G B -0.9218 Soluble
178 N B -0.8573 Soluble
179 S B -1.2024 Soluble
180 Q B -1.5240 Soluble
181 E B -2.0326 Soluble
182 S B -1.0442 Soluble
183 V B -0.8098 Soluble
184 T B 0.0000 Buried
185 E B -1.8219 Soluble
186 Q B 0.0000 Buried
187 D B -1.9265 Soluble
188 S B -2.0592 Soluble
189 K B -2.3984 Soluble
190 D B -1.7392 Soluble
191 S B 0.0000 Buried
192 T B 0.0000 Buried
193 Y B 0.0000 Buried
194 S B 0.0000 Buried
195 L B 0.0000 Buried
196 S B 0.0000 Buried
197 S B 0.0000 Buried
198 T B -0.7210 Soluble
199 L B 0.0000 Buried
200 T B -0.4308 Soluble
201 L B -0.6449 Soluble
202 S B -1.2024 Soluble
203 K B -2.0475 Soluble
204 A B -1.8716 Soluble
205 D B -2.4924 Soluble
206 Y B 0.0000 Buried
207 E B -3.4968 Soluble
208 K B -3.6464 Soluble
209 H B -3.0131 Soluble
210 K B -2.9826 Soluble
211 V B -1.3329 Soluble
212 Y B 0.0000 Buried
213 A B 0.0000 Buried
214 C B 0.0000 Buried
215 E B -1.0072 Soluble
216 V B 0.0000 Buried
217 T B -1.2481 Soluble
218 H B 0.0000 Buried
219 Q B -1.7199 Soluble
220 G B -0.4145 Soluble
221 L B -0.2289 Soluble
222 S B -0.4704 Soluble
223 S B -0.4466 Soluble
224 P B -0.6251 Soluble
225 V B -0.0929 Soluble
226 T B -0.4864 Soluble
227 K B -0.5697 Soluble
228 S B -0.4666 Soluble
229 F B -0.7043 Soluble
230 N B -1.6261 Soluble
231 R B -2.3184 Soluble
232 G B -2.0792 Soluble
233 E B -2.1129 Soluble
234 C B -1.0214 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 -0.7553 2.0279 CSV PDB
4.5 -0.8033 2.0239 CSV PDB
5.0 -0.8581 2.0295 CSV PDB
5.5 -0.9092 2.0539 CSV PDB
6.0 -0.9455 2.098 CSV PDB
6.5 -0.9582 2.1476 CSV PDB
7.0 -0.9475 2.1838 CSV PDB
7.5 -0.9214 2.1995 CSV PDB
8.0 -0.8866 2.1994 CSV PDB
8.5 -0.8446 2.1908 CSV PDB
9.0 -0.7954 2.1768 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH