Sotrovimab / 7bep

A4DAB245_7bep_G_I | Source PDB: 7bep | Chains: G, I | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7224
Max Score
2.2525
Min Score
-3.737
Total Score
-321.47
Score CDR
-0.1953
Score non-CDR
-0.7952

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) G (Heavy), I (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 -3.737
Maximum Score 2.2525
Average Score -0.7224
Total Score -321.4722

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

Index Residue Chain A4D Score Classification
1 Q G -1.5749 Soluble
2 V G -1.3004 Soluble
3 Q G -1.6358 Soluble
4 L G 0.0000 Buried
5 V G 0.0625 Aggregation-prone
6 Q G 0.0000 Buried
7 S G -0.5895 Soluble
8 G G -0.6424 Soluble
9 A G -0.1911 Soluble
11 E G -0.7181 Soluble
12 V G 0.3441 Aggregation-prone
13 K G -1.1152 Soluble
14 K G -2.2259 Soluble
15 P G -2.1624 Soluble
16 G G -1.9617 Soluble
17 A G -1.6717 Soluble
18 S G -1.9122 Soluble
19 V G 0.0000 Buried
20 K G -2.0600 Soluble
21 V G 0.0000 Buried
22 S G -0.4634 Soluble
23 C G 0.0000 Buried
24 K G -0.8426 Soluble
25 A G 0.0000 Buried
26 S G -0.9047 Soluble
27 G G -1.0793 Soluble
28 Y G -0.5377 Soluble
29 P G -0.2789 Soluble
30 F G 0.0000 Buried
35 T G 0.1463 Aggregation-prone
36 S G 0.3215 Aggregation-prone
37 Y G 0.4346 Aggregation-prone
38 G G 0.0000 Buried
39 I G 0.0000 Buried
40 S G 0.0000 Buried
41 W G 0.0000 Buried
42 V G 0.0000 Buried
43 R G -0.3589 Soluble
44 Q G -0.5992 Soluble
45 A G -0.9073 Soluble
46 P G -0.7883 Soluble
47 G G -1.2257 Soluble
48 Q G -1.7586 Soluble
49 G G -1.0748 Soluble
50 L G 0.0000 Buried
51 E G -0.6020 Soluble
52 W G -0.2805 Soluble
53 M G 0.0000 Buried
54 G G 0.0000 Buried
55 W G 0.0000 Buried
56 I G 0.0000 Buried
57 S G 0.0000 Buried
58 T G 0.0000 Buried
59 Y G 0.3632 Aggregation-prone
62 N G -0.9912 Soluble
63 G G -1.4118 Soluble
64 N G -1.5756 Soluble
65 T G -1.2807 Soluble
66 N G -1.4445 Soluble
67 Y G -1.2213 Soluble
68 A G 0.0000 Buried
69 Q G -2.5824 Soluble
70 K G -2.6817 Soluble
71 F G 0.0000 Buried
72 Q G -2.4846 Soluble
74 G G -1.8755 Soluble
75 R G -1.8572 Soluble
76 V G 0.0000 Buried
77 T G -0.8024 Soluble
78 M G 0.0000 Buried
79 T G -0.3920 Soluble
80 T G -0.7330 Soluble
81 D G -1.0615 Soluble
82 T G -0.5132 Soluble
83 S G -0.5428 Soluble
84 T G -0.6338 Soluble
85 T G -0.6815 Soluble
86 T G 0.0000 Buried
87 G G 0.0000 Buried
88 Y G -0.3399 Soluble
89 M G 0.0000 Buried
90 E G -1.3310 Soluble
91 L G 0.0000 Buried
92 R G -2.2889 Soluble
93 R G -2.8722 Soluble
94 L G 0.0000 Buried
95 R G -3.1191 Soluble
96 S G -2.1762 Soluble
97 D G -2.4195 Soluble
98 D G 0.0000 Buried
99 T G -0.6328 Soluble
100 A G 0.0000 Buried
101 V G 0.4018 Aggregation-prone
102 Y G 0.0000 Buried
103 Y G 0.0000 Buried
104 C G 0.0000 Buried
105 A G 0.0000 Buried
106 R G -0.2709 Soluble
107 D G 0.0000 Buried
108 Y G 1.1601 Aggregation-prone
109 T G 0.0000 Buried
110 R G -0.2337 Soluble
111 G G 0.4661 Aggregation-prone
111A A G 0.0000 Buried
111B W G 1.3103 Aggregation-prone
111C F G 1.4799 Aggregation-prone
112D G G -0.3794 Soluble
112C E G -1.3877 Soluble
112B S G -0.6061 Soluble
112A L G 0.6649 Aggregation-prone
112 I G 2.2525 Aggregation-prone
113 G G 0.0000 Buried
114 G G 0.0000 Buried
115 F G 0.0000 Buried
116 D G -0.6358 Soluble
117 N G -1.2810 Soluble
118 W G 0.0000 Buried
119 G G 0.0000 Buried
120 Q G -1.2935 Soluble
121 G G -0.4532 Soluble
122 T G 0.0000 Buried
123 L G 0.5249 Aggregation-prone
124 V G 0.0000 Buried
125 T G -0.4590 Soluble
126 V G 0.0000 Buried
127 S G -1.1747 Soluble
128 S G -0.9927 Soluble
129 A G -0.5563 Soluble
130 S G -0.5801 Soluble
131 T G -0.6291 Soluble
132 K G -1.3038 Soluble
133 G G -1.4563 Soluble
134 P G 0.0000 Buried
135 S G -0.2480 Soluble
136 V G 0.0000 Buried
137 F G 0.0000 Buried
138 P G -1.3282 Soluble
139 L G 0.0000 Buried
140 A G -1.2958 Soluble
141 P G 0.0000 Buried
142 S G -1.0439 Soluble
143 S G -0.6884 Soluble
144 K G -1.2390 Soluble
145 S G 0.0000 Buried
146 T G -0.7528 Soluble
147 S G -0.8342 Soluble
148 G G -0.8534 Soluble
149 G G -0.9249 Soluble
150 T G -0.6155 Soluble
151 A G 0.0000 Buried
152 A G 0.0000 Buried
153 L G 0.0000 Buried
154 G G 0.0000 Buried
155 C G 0.0000 Buried
156 L G 0.0000 Buried
157 V G 0.0000 Buried
158 K G 0.0000 Buried
159 D G -0.3751 Soluble
160 Y G 0.0000 Buried
161 F G 0.0000 Buried
162 P G -0.8574 Soluble
163 E G -1.4435 Soluble
164 P G -1.2105 Soluble
165 V G -0.8902 Soluble
166 T G -0.6853 Soluble
167 V G -0.2256 Soluble
168 S G -0.3908 Soluble
169 W G 0.0000 Buried
170 N G -0.8231 Soluble
171 S G -0.6524 Soluble
172 G G -0.5140 Soluble
173 A G -0.2330 Soluble
174 L G 0.0020 Aggregation-prone
175 T G -0.1931 Soluble
176 S G -0.2351 Soluble
177 G G -0.3175 Soluble
178 V G 0.0723 Aggregation-prone
179 H G -0.3707 Soluble
180 T G 0.0255 Aggregation-prone
181 F G 0.0000 Buried
182 P G -0.4011 Soluble
183 A G 0.0193 Aggregation-prone
184 V G 0.3658 Aggregation-prone
185 L G 0.8785 Aggregation-prone
186 Q G 0.2125 Aggregation-prone
187 S G -0.0889 Soluble
188 S G -0.2356 Soluble
189 G G -0.0513 Soluble
190 L G -0.0856 Soluble
191 Y G 0.1845 Aggregation-prone
192 S G 0.0000 Buried
193 L G 0.1028 Aggregation-prone
194 S G 0.0000 Buried
195 S G 0.0000 Buried
196 V G 0.0000 Buried
197 V G 0.0000 Buried
198 T G -0.1707 Soluble
199 V G 0.0000 Buried
200 P G -0.6398 Soluble
201 S G -0.5904 Soluble
202 S G -0.6031 Soluble
203 S G -0.6439 Soluble
204 L G -0.7670 Soluble
205 G G -0.9350 Soluble
206 T G -0.7260 Soluble
207 Q G -1.2596 Soluble
208 T G -1.1168 Soluble
209 Y G 0.0000 Buried
210 I G -1.3302 Soluble
211 C G 0.0000 Buried
212 N G -1.4821 Soluble
213 V G 0.0000 Buried
214 N G -1.9482 Soluble
215 H G 0.0000 Buried
216 K G -2.8352 Soluble
217 P G -1.7526 Soluble
218 S G -1.8547 Soluble
219 N G -2.5172 Soluble
220 T G -2.0918 Soluble
221 K G -2.6837 Soluble
222 V G -1.5939 Soluble
223 D G -2.5749 Soluble
224 K G -2.1123 Soluble
225 K G -2.6218 Soluble
226 V G 0.0000 Buried
227 E G -2.8792 Soluble
228 P G -1.9343 Soluble
229 K G -2.3251 Soluble
230 S G -1.3423 Soluble
231 C G -1.3482 Soluble
232 D G -2.3169 Soluble
233 K G -2.4241 Soluble
1 E I -1.7055 Soluble
2 I I 0.0000 Buried
3 V I 0.3828 Aggregation-prone
4 L I 0.0000 Buried
5 T I -0.7550 Soluble
6 Q I -1.0947 Soluble
7 S I -0.8925 Soluble
8 P I -0.5982 Soluble
9 G I -0.7456 Soluble
10 T I -0.3748 Soluble
11 L I -0.1384 Soluble
12 S I -0.4509 Soluble
13 L I -0.9226 Soluble
14 S I -1.4260 Soluble
15 P I -1.9368 Soluble
16 G I -2.3158 Soluble
17 E I -3.0220 Soluble
18 R I -3.1903 Soluble
19 A I 0.0000 Buried
20 T I -0.6769 Soluble
21 L I 0.0000 Buried
22 S I -0.9660 Soluble
23 C I 0.0000 Buried
24 R I -2.4686 Soluble
25 A I 0.0000 Buried
26 S I -1.1159 Soluble
27 Q I -1.7075 Soluble
28 T I -1.3389 Soluble
29 V I 0.0000 Buried
30 S I -0.6450 Soluble
36 S I -0.2178 Soluble
37 T I 0.4064 Aggregation-prone
38 S I 0.0000 Buried
39 L I 0.0000 Buried
40 A I 0.0000 Buried
41 W I 0.0000 Buried
42 Y I 0.0000 Buried
43 Q I 0.0000 Buried
44 Q I -0.9679 Soluble
45 K I -1.6106 Soluble
46 P I -1.2939 Soluble
47 G I -1.3537 Soluble
48 Q I -2.0770 Soluble
49 A I -1.4523 Soluble
50 P I 0.0000 Buried
51 R I -1.2909 Soluble
52 L I -0.5710 Soluble
53 L I 0.0000 Buried
54 I I 0.0000 Buried
55 Y I 0.6125 Aggregation-prone
56 G I 0.4597 Aggregation-prone
57 A I 0.0000 Buried
65 S I -0.5669 Soluble
66 S I -0.2762 Soluble
67 R I -1.0647 Soluble
68 A I 0.0000 Buried
69 T I -0.4943 Soluble
70 G I -0.8146 Soluble
71 I I 0.0000 Buried
72 P I -1.2738 Soluble
74 D I -2.3626 Soluble
75 R I -2.0753 Soluble
76 F I 0.0000 Buried
77 S I -0.8590 Soluble
78 G I -0.4543 Soluble
79 S I -0.7199 Soluble
80 G I -1.1135 Soluble
83 S I -1.0690 Soluble
84 G I -1.1258 Soluble
85 T I -1.7980 Soluble
86 D I -2.2260 Soluble
87 F I 0.0000 Buried
88 T I -0.8406 Soluble
89 L I 0.0000 Buried
90 T I -0.8251 Soluble
91 I I 0.0000 Buried
92 S I -2.5599 Soluble
93 R I -3.5675 Soluble
94 L I 0.0000 Buried
95 E I -2.5206 Soluble
96 P I -1.5911 Soluble
97 E I -2.3352 Soluble
98 D I 0.0000 Buried
99 F I -0.6342 Soluble
100 A I 0.0000 Buried
101 V I -0.0763 Soluble
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 Q I 0.0000 Buried
106 Q I 0.0000 Buried
107 H I 0.0000 Buried
108 D I -1.2060 Soluble
114 T I -1.1694 Soluble
115 S I -1.0717 Soluble
116 L I 0.0000 Buried
117 T I -0.1413 Soluble
118 F I 0.2213 Aggregation-prone
119 G I 0.0000 Buried
120 G I -0.7190 Soluble
121 G I -0.6541 Soluble
122 T I 0.0000 Buried
123 K I -0.4119 Soluble
124 V I 0.0000 Buried
125 E I 0.0000 Buried
126 I I -0.3392 Soluble
127 K I -1.2092 Soluble
128 R I -0.9060 Soluble
129 T I -0.1242 Soluble
130 V I 0.4487 Aggregation-prone
131 A I 0.1796 Aggregation-prone
132 A I -0.1096 Soluble
133 P I 0.0000 Buried
134 S I -0.1894 Soluble
135 V I 0.0000 Buried
136 F I 0.0000 Buried
137 I I 0.0000 Buried
138 F I 0.0000 Buried
139 P I -0.6383 Soluble
140 P I 0.0000 Buried
141 S I -1.7951 Soluble
142 D I -3.0636 Soluble
143 E I -2.8715 Soluble
144 Q I 0.0000 Buried
145 L I -2.2323 Soluble
146 K I -2.7844 Soluble
147 S I -1.7266 Soluble
148 G I -1.2056 Soluble
149 T I -0.9630 Soluble
150 A I 0.0000 Buried
151 S I 0.0000 Buried
152 V I 0.0000 Buried
153 V I 0.0000 Buried
154 C I 0.0000 Buried
155 L I 0.0000 Buried
156 L I 0.0000 Buried
157 N I -0.4206 Soluble
158 N I -0.8786 Soluble
159 F I 0.0000 Buried
160 Y I 0.0000 Buried
161 P I -1.6151 Soluble
162 R I -2.7919 Soluble
163 E I -3.1171 Soluble
164 A I -2.2301 Soluble
165 K I -2.2188 Soluble
166 V I -0.9563 Soluble
167 Q I -0.5202 Soluble
168 W I 0.0000 Buried
169 K I -0.5129 Soluble
170 V I 0.0000 Buried
171 D I -1.8996 Soluble
172 N I -1.5017 Soluble
173 A I -0.2503 Soluble
174 L I 0.7076 Aggregation-prone
175 Q I -0.1903 Soluble
176 S I -0.4614 Soluble
177 G I -0.9068 Soluble
178 N I -0.8333 Soluble
179 S I -1.1123 Soluble
180 Q I -1.4170 Soluble
181 E I -1.9175 Soluble
182 S I -0.8587 Soluble
183 V I -0.8657 Soluble
184 T I -1.1940 Soluble
185 E I -2.2383 Soluble
186 Q I -1.7837 Soluble
187 D I -1.8874 Soluble
188 S I -1.6492 Soluble
189 K I -2.2245 Soluble
190 D I -1.6292 Soluble
191 S I -1.6108 Soluble
192 T I 0.0000 Buried
193 Y I 0.0000 Buried
194 S I 0.0000 Buried
195 L I 0.0000 Buried
196 S I 0.0000 Buried
197 S I 0.0000 Buried
198 T I -0.6816 Soluble
199 L I 0.0000 Buried
200 T I -0.4228 Soluble
201 L I -0.6779 Soluble
202 S I -1.0513 Soluble
203 K I -2.0515 Soluble
204 A I -1.9121 Soluble
205 D I -2.5804 Soluble
206 Y I 0.0000 Buried
207 E I -3.7370 Soluble
208 K I -3.7342 Soluble
209 H I -3.0594 Soluble
210 K I -3.3597 Soluble
211 V I -1.4422 Soluble
212 Y I 0.0000 Buried
213 A I 0.0000 Buried
215 E I -0.6541 Soluble
216 V I 0.0000 Buried
217 T I -1.1367 Soluble
218 H I 0.0000 Buried
219 Q I -1.5624 Soluble
220 G I -0.4259 Soluble
221 L I -0.2552 Soluble
222 S I -0.4667 Soluble
223 S I -0.4148 Soluble
224 P I -0.5079 Soluble
225 V I 0.0834 Aggregation-prone
226 T I -0.3739 Soluble
227 K I -0.7885 Soluble
228 S I -0.6961 Soluble
229 F I 0.0000 Buried
230 N I -2.0276 Soluble
231 R I -2.7318 Soluble
232 G I -2.2660 Soluble
233 E I -2.1988 Soluble
234 C I -1.1338 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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
Load structure at specific pH condition
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 -0.6979 4.9285 CSV PDB
4.5 -0.7408 4.845 CSV PDB
5.0 -0.7932 4.7264 CSV PDB
5.5 -0.8443 4.5927 CSV PDB
6.0 -0.8821 4.4644 CSV PDB
6.5 -0.8979 4.3628 CSV PDB
7.0 -0.8903 4.3019 CSV PDB
7.5 -0.8658 4.2748 CSV PDB
8.0 -0.8315 4.2649 CSV PDB
8.5 -0.7907 4.2616 CSV PDB
9.0 -0.7438 4.2604 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH