Omalizumab / 5hys

A4DAB191_5hys_E_F | Source PDB: 5hys | Chains: E, F | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7032
Max Score
1.4176
Min Score
-3.6957
Total Score
-304.5
Score CDR
-0.4861
Score non-CDR
-0.7329

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAVSGYSITSGYSWNWIRQAPGKGLEWVASITYDGSTNYNPSVKGRITISRDDSKNTFYLQMNSLRAEDTAVYYCARGSHYFGHWHFAVWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIQLTQSPSSLSASVGDRVTITCRASQSVDYDGDSYMNWYQQKPGKAPKLLIYAASYLESGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSHEDPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNR input.pdb
Selected Chain(s) E (Heavy), F (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 -3.6957
Maximum Score 1.4176
Average Score -0.7032
Total Score -304.5019

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

Index Residue Chain A4D Score Classification
1 E E -2.1567 Soluble
2 V E 0.0000 Buried
3 Q E -1.3999 Soluble
4 L E 0.0000 Buried
5 V E 1.1689 Aggregation-prone
6 E E 0.0000 Buried
7 S E -0.3970 Soluble
8 G E -1.1995 Soluble
9 G E -0.7850 Soluble
11 G E 0.0000 Buried
12 L E -0.2617 Soluble
13 V E -0.6084 Soluble
14 Q E -1.4038 Soluble
15 P E -1.4788 Soluble
16 G E -1.4942 Soluble
17 G E -1.3083 Soluble
18 S E -1.6053 Soluble
19 L E 0.0000 Buried
20 R E -2.1433 Soluble
21 L E 0.0000 Buried
22 S E -0.5018 Soluble
23 C E 0.0000 Buried
24 A E -0.0693 Soluble
25 V E 0.0000 Buried
26 S E -0.9183 Soluble
27 G E -1.1746 Soluble
28 Y E -0.3013 Soluble
29 S E -0.4335 Soluble
30 I E 0.0000 Buried
31 T E -0.7337 Soluble
35 S E -0.1559 Soluble
36 G E -0.0602 Soluble
37 Y E 0.1276 Aggregation-prone
38 S E 0.0000 Buried
39 W E 0.0000 Buried
40 N E 0.0000 Buried
41 W E 0.0000 Buried
42 I E 0.0000 Buried
43 R E 0.0000 Buried
44 Q E -0.7007 Soluble
45 A E -1.1640 Soluble
46 P E -1.1728 Soluble
47 G E -1.5611 Soluble
48 K E -2.3665 Soluble
49 G E -1.6017 Soluble
50 L E 0.0000 Buried
51 E E -0.8472 Soluble
52 W E 0.0000 Buried
53 V E 0.0000 Buried
54 A E 0.0000 Buried
55 S E -0.2658 Soluble
56 I E 0.0000 Buried
57 T E -0.3913 Soluble
58 Y E -0.2610 Soluble
59 D E -1.5875 Soluble
63 G E -1.1344 Soluble
64 S E -0.8455 Soluble
65 T E -0.5915 Soluble
66 N E -0.9952 Soluble
67 Y E -0.9662 Soluble
68 N E 0.0000 Buried
69 P E -1.5753 Soluble
70 S E -1.1104 Soluble
71 V E 0.0000 Buried
72 K E -2.2184 Soluble
74 G E -1.6502 Soluble
75 R E -1.6414 Soluble
76 I E 0.0000 Buried
77 T E -1.0352 Soluble
78 I E 0.0000 Buried
79 S E -0.8547 Soluble
80 R E -1.6275 Soluble
81 D E -2.3935 Soluble
82 D E -2.9566 Soluble
83 S E -2.2271 Soluble
84 K E -2.7594 Soluble
85 N E -2.0567 Soluble
86 T E 0.0000 Buried
87 F E 0.0000 Buried
88 Y E 0.0000 Buried
89 L E 0.0000 Buried
90 Q E -1.5210 Soluble
91 M E 0.0000 Buried
92 N E -1.9520 Soluble
93 S E -1.4865 Soluble
94 L E 0.0000 Buried
95 R E -2.4917 Soluble
96 A E -1.7356 Soluble
97 E E -2.2965 Soluble
98 D E 0.0000 Buried
99 T E -0.7621 Soluble
100 A E 0.0000 Buried
101 V E 0.2245 Aggregation-prone
102 Y E 0.0000 Buried
103 Y E 0.0000 Buried
104 C E 0.0000 Buried
105 A E 0.0000 Buried
106 R E -0.1974 Soluble
107 G E 0.0000 Buried
108 S E -0.2916 Soluble
109 H E -0.4566 Soluble
110 Y E 0.5210 Aggregation-prone
111 F E 1.3255 Aggregation-prone
112A G E 0.2548 Aggregation-prone
112 H E -0.1536 Soluble
113 W E 0.0063 Aggregation-prone
114 H E 0.0000 Buried
115 F E 0.0000 Buried
116 A E -0.1982 Soluble
117 V E -0.2735 Soluble
118 W E -0.3860 Soluble
119 G E 0.0000 Buried
120 Q E -1.3571 Soluble
121 G E -0.5266 Soluble
122 T E 0.0000 Buried
123 L E 0.1398 Aggregation-prone
124 V E 0.0000 Buried
125 T E -0.3989 Soluble
126 V E 0.0000 Buried
127 S E -0.7285 Soluble
128 S E -0.6290 Soluble
129 A E -0.4868 Soluble
130 S E -0.5676 Soluble
131 T E -0.7645 Soluble
132 K E -1.3318 Soluble
133 G E -1.4417 Soluble
134 P E 0.0000 Buried
135 S E -0.3307 Soluble
136 V E 0.0000 Buried
137 F E 0.0000 Buried
138 P E -0.9870 Soluble
139 L E 0.0000 Buried
140 A E -1.1056 Soluble
141 P E 0.0000 Buried
142 S E -0.7954 Soluble
143 S E -0.3932 Soluble
144 G E -0.8047 Soluble
145 G E -0.8751 Soluble
146 T E -0.6410 Soluble
147 A E 0.0000 Buried
148 A E 0.0000 Buried
149 L E 0.0000 Buried
150 G E 0.0000 Buried
151 C E 0.0000 Buried
152 L E 0.0000 Buried
153 V E 0.0000 Buried
154 K E 0.0000 Buried
155 D E -0.4065 Soluble
156 Y E 0.0000 Buried
157 F E -0.1554 Soluble
158 P E 0.0000 Buried
159 E E -0.2597 Soluble
160 P E -0.5327 Soluble
161 V E -0.6374 Soluble
162 T E -0.6013 Soluble
163 V E -0.1622 Soluble
164 S E -0.3271 Soluble
165 W E 0.0000 Buried
166 N E -0.5665 Soluble
167 S E -0.5673 Soluble
168 G E -0.5192 Soluble
169 A E -0.2507 Soluble
170 L E 0.0057 Aggregation-prone
171 T E -0.1726 Soluble
172 S E -0.1721 Soluble
173 G E -0.1869 Soluble
174 V E 0.1822 Aggregation-prone
175 H E -0.2386 Soluble
176 T E 0.0198 Aggregation-prone
177 F E 0.0000 Buried
178 P E -0.1741 Soluble
179 A E 0.3234 Aggregation-prone
180 V E 0.6269 Aggregation-prone
181 L E 1.4176 Aggregation-prone
182 Q E 0.2993 Aggregation-prone
183 S E -0.0560 Soluble
184 S E -0.2296 Soluble
185 G E 0.0546 Aggregation-prone
186 L E 0.2025 Aggregation-prone
187 Y E 0.6037 Aggregation-prone
188 S E 0.0000 Buried
189 L E 0.0000 Buried
190 S E 0.0000 Buried
191 S E 0.0000 Buried
192 V E 0.0000 Buried
193 V E 0.0000 Buried
194 T E -0.1259 Soluble
195 V E 0.0000 Buried
196 P E -0.6593 Soluble
197 S E -0.7388 Soluble
198 S E -0.6236 Soluble
199 S E -0.6067 Soluble
200 L E -0.7694 Soluble
201 G E -0.9234 Soluble
202 T E -0.6931 Soluble
203 Q E -1.0034 Soluble
204 T E -0.9508 Soluble
205 Y E 0.0000 Buried
206 I E -0.8168 Soluble
207 C E 0.0000 Buried
208 N E -1.2247 Soluble
209 V E 0.0000 Buried
210 N E -1.9294 Soluble
211 H E 0.0000 Buried
212 K E -2.7876 Soluble
213 P E -1.5476 Soluble
214 S E -1.8794 Soluble
215 N E -2.6159 Soluble
216 T E -2.1560 Soluble
217 K E -2.5901 Soluble
218 V E -1.3668 Soluble
219 D E -1.8247 Soluble
220 K E -1.5326 Soluble
221 K E -2.0860 Soluble
222 V E 0.0000 Buried
223 E E -2.5761 Soluble
224 P E -1.8095 Soluble
225 K E -2.2825 Soluble
1 D F -2.9021 Soluble
2 I F 0.0000 Buried
3 Q F -2.3195 Soluble
4 L F 0.0000 Buried
5 T F -1.3149 Soluble
6 Q F 0.0000 Buried
7 S F -0.8091 Soluble
8 P F -0.4746 Soluble
9 S F -0.7669 Soluble
10 S F -0.8216 Soluble
11 L F -0.5948 Soluble
12 S F -0.8840 Soluble
13 A F -1.0167 Soluble
14 S F -0.9221 Soluble
15 V F -0.1313 Soluble
16 G F -0.8949 Soluble
17 D F -1.7931 Soluble
18 R F -2.3517 Soluble
19 V F 0.0000 Buried
20 T F -0.6463 Soluble
21 I F 0.0000 Buried
22 T F -0.9355 Soluble
23 C F 0.0000 Buried
24 R F -2.8415 Soluble
25 A F -2.1305 Soluble
26 S F -2.0251 Soluble
27 Q F -2.4585 Soluble
28 S F -1.5296 Soluble
29 V F 0.0000 Buried
30 D F -1.1029 Soluble
31 Y F -0.2679 Soluble
34 D F -1.4282 Soluble
35 G F -1.2788 Soluble
36 D F -0.7360 Soluble
37 S F 0.0000 Buried
38 Y F 0.0000 Buried
39 M F 0.0000 Buried
40 N F 0.0000 Buried
41 W F 0.0000 Buried
42 Y F 0.0000 Buried
43 Q F 0.0000 Buried
44 Q F -1.1458 Soluble
45 K F -1.5771 Soluble
46 P F -1.4044 Soluble
47 G F -1.7583 Soluble
48 K F -2.4969 Soluble
49 A F -1.5263 Soluble
50 P F 0.0000 Buried
51 K F -1.1418 Soluble
52 L F 0.0000 Buried
53 L F 0.0000 Buried
54 I F 0.0000 Buried
55 Y F 0.4932 Aggregation-prone
56 A F 0.0000 Buried
57 A F 0.0000 Buried
65 S F 0.0524 Aggregation-prone
66 Y F 0.7558 Aggregation-prone
67 L F 0.6637 Aggregation-prone
68 E F -0.1141 Soluble
69 S F -0.3414 Soluble
70 G F -0.5184 Soluble
71 V F -0.3218 Soluble
72 P F -0.3228 Soluble
74 S F -0.4245 Soluble
75 R F -0.7807 Soluble
76 F F 0.0000 Buried
77 S F -0.1827 Soluble
78 G F -0.1542 Soluble
79 S F -0.7487 Soluble
80 G F -1.1920 Soluble
83 S F -1.3416 Soluble
84 G F -1.4049 Soluble
85 T F -2.0714 Soluble
86 D F -2.6203 Soluble
87 F F 0.0000 Buried
88 T F -0.9122 Soluble
89 L F 0.0000 Buried
90 T F -0.6340 Soluble
91 I F 0.0000 Buried
92 S F -1.3628 Soluble
93 S F -1.1856 Soluble
94 L F 0.0000 Buried
95 Q F -0.8164 Soluble
96 P F -1.4905 Soluble
97 E F -1.5840 Soluble
98 D F 0.0000 Buried
99 F F -1.1928 Soluble
100 A F 0.0000 Buried
101 T F -0.8046 Soluble
102 Y F 0.0000 Buried
103 Y F 0.0000 Buried
104 C F 0.0000 Buried
105 Q F 0.0000 Buried
106 Q F 0.0000 Buried
107 S F 0.0000 Buried
108 H F -1.2804 Soluble
109 E F -2.7778 Soluble
114 D F -2.8804 Soluble
115 P F 0.0000 Buried
116 Y F -1.3262 Soluble
117 T F -1.2575 Soluble
118 F F 0.0000 Buried
119 G F 0.0000 Buried
120 Q F -1.7792 Soluble
121 G F 0.0000 Buried
122 T F 0.0000 Buried
123 K F -1.4277 Soluble
124 V F 0.0000 Buried
125 E F -1.4030 Soluble
126 I F 0.0000 Buried
127 K F -1.2312 Soluble
128 R F -0.8648 Soluble
129 T F -0.1141 Soluble
130 V F 0.4071 Aggregation-prone
131 A F 0.1667 Aggregation-prone
132 A F -0.1121 Soluble
133 P F 0.0000 Buried
134 S F -0.1762 Soluble
135 V F 0.0000 Buried
136 F F 0.2223 Aggregation-prone
137 I F 0.2047 Aggregation-prone
138 F F 0.0000 Buried
139 P F -0.6938 Soluble
140 P F -0.9082 Soluble
141 S F -1.6643 Soluble
142 D F -2.7148 Soluble
143 E F -2.5449 Soluble
144 Q F 0.0000 Buried
145 L F -2.2473 Soluble
146 K F -2.7266 Soluble
147 S F -1.6838 Soluble
148 G F -1.2286 Soluble
149 T F -1.0320 Soluble
150 A F 0.0000 Buried
151 S F 0.0000 Buried
152 V F 0.0000 Buried
153 V F 0.0000 Buried
154 C F 0.0000 Buried
155 L F 0.0000 Buried
156 L F 0.0000 Buried
157 N F 0.0000 Buried
158 N F -0.8711 Soluble
159 F F 0.0000 Buried
160 Y F 0.0000 Buried
161 P F -1.7253 Soluble
162 R F -3.0082 Soluble
163 E F -3.1816 Soluble
164 A F -2.1769 Soluble
165 K F -2.0451 Soluble
166 V F -0.9090 Soluble
167 Q F -0.4917 Soluble
168 W F 0.0000 Buried
169 K F -0.3924 Soluble
170 V F 0.0000 Buried
171 D F -1.3292 Soluble
172 N F -1.2560 Soluble
173 A F -0.0819 Soluble
174 L F 0.7761 Aggregation-prone
175 Q F -0.0514 Soluble
176 S F -0.4835 Soluble
177 G F -0.8922 Soluble
178 N F -0.7675 Soluble
179 S F -1.1545 Soluble
180 Q F -1.5621 Soluble
181 E F -1.8219 Soluble
182 S F -0.7752 Soluble
183 V F -0.6445 Soluble
184 T F -0.9076 Soluble
185 E F -1.8105 Soluble
186 Q F 0.0000 Buried
187 D F -1.9149 Soluble
188 S F -2.0699 Soluble
189 K F -2.5437 Soluble
190 D F -1.9272 Soluble
191 S F 0.0000 Buried
192 T F 0.0000 Buried
193 Y F -1.2348 Soluble
194 S F 0.0000 Buried
195 L F 0.0000 Buried
196 S F 0.0000 Buried
197 S F 0.0000 Buried
198 T F -0.6924 Soluble
199 L F 0.0000 Buried
200 T F -0.4753 Soluble
201 L F -0.6863 Soluble
202 S F -1.3451 Soluble
203 K F -2.2570 Soluble
204 A F -2.0276 Soluble
205 D F -2.6965 Soluble
206 Y F 0.0000 Buried
207 E F -3.5586 Soluble
208 K F -3.6957 Soluble
209 H F -3.1601 Soluble
210 K F -3.3966 Soluble
211 V F -1.7419 Soluble
212 Y F 0.0000 Buried
213 A F -0.6723 Soluble
214 C F 0.0000 Buried
215 E F -0.7297 Soluble
216 V F 0.0000 Buried
217 T F -1.0448 Soluble
218 H F 0.0000 Buried
219 Q F -1.7415 Soluble
220 G F -0.4584 Soluble
221 L F -0.2398 Soluble
222 S F -0.4606 Soluble
223 S F -0.4037 Soluble
224 P F -0.4870 Soluble
225 V F -0.0886 Soluble
226 T F -0.5498 Soluble
227 K F -0.7846 Soluble
228 S F -0.8196 Soluble
229 F F -1.0957 Soluble
230 N F -2.3993 Soluble
231 R F -3.1309 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 -0.7663 3.5674 CSV PDB
4.5 -0.8113 3.5319 CSV PDB
5.0 -0.8631 3.4974 CSV PDB
5.5 -0.9124 3.4799 CSV PDB
6.0 -0.9488 3.4885 CSV PDB
6.5 -0.9641 3.5068 CSV PDB
7.0 -0.9582 3.5061 CSV PDB
7.5 -0.9374 3.4792 CSV PDB
8.0 -0.9072 3.4378 CSV PDB
8.5 -0.8691 3.3946 CSV PDB
9.0 -0.8233 3.3586 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH