Sotrovimab / 7bep

A4DAB245_7bep_H_L | Source PDB: 7bep | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7089
Max Score
1.8923
Min Score
-3.7698
Total Score
-313.34
Score CDR
-0.2099
Score non-CDR
-0.7784

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.7698
Maximum Score 1.8923
Average Score -0.7089
Total Score -313.3362

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

Index Residue Chain A4D Score Classification
1 Q H -1.5637 Soluble
2 V H -1.2705 Soluble
3 Q H -1.4663 Soluble
4 L H 0.0000 Buried
5 V H 0.5892 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.5045 Soluble
8 G H -0.6161 Soluble
9 A H -0.4381 Soluble
11 E H -0.9703 Soluble
12 V H -0.3195 Soluble
13 K H -1.3944 Soluble
14 K H -2.3599 Soluble
15 P H -2.3029 Soluble
16 G H -1.9831 Soluble
17 A H -1.6196 Soluble
18 S H -1.9697 Soluble
19 V H 0.0000 Buried
20 K H -2.0895 Soluble
21 V H 0.0000 Buried
22 S H -0.4073 Soluble
23 C H 0.0000 Buried
24 K H -0.5447 Soluble
25 A H 0.0000 Buried
26 S H -0.7973 Soluble
27 G H -1.0687 Soluble
28 Y H -0.5497 Soluble
29 P H -0.2932 Soluble
30 F H 0.0000 Buried
35 T H 0.2124 Aggregation-prone
36 S H 0.3832 Aggregation-prone
37 Y H 0.5465 Aggregation-prone
38 G H 0.0000 Buried
39 I H 0.0000 Buried
40 S H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H -0.4188 Soluble
44 Q H -0.6552 Soluble
45 A H -0.9426 Soluble
46 P H -0.8195 Soluble
47 G H -1.2257 Soluble
48 Q H -1.7498 Soluble
49 G H -1.1022 Soluble
50 L H 0.0000 Buried
51 E H -0.6455 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 W H 0.0000 Buried
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 T H 0.0000 Buried
59 Y H 0.5161 Aggregation-prone
62 N H -0.9175 Soluble
63 G H -1.2632 Soluble
64 N H -1.6827 Soluble
65 T H -1.5259 Soluble
66 N H -1.8182 Soluble
67 Y H -1.4729 Soluble
68 A H 0.0000 Buried
69 Q H -2.6401 Soluble
70 K H -2.7028 Soluble
71 F H 0.0000 Buried
72 Q H -2.5587 Soluble
74 G H -1.9067 Soluble
75 R H -1.9219 Soluble
76 V H 0.0000 Buried
77 T H -0.9108 Soluble
78 M H 0.0000 Buried
79 T H -0.3940 Soluble
80 T H -0.4379 Soluble
81 D H -0.9024 Soluble
82 T H -0.4037 Soluble
83 S H -0.4880 Soluble
84 T H -0.5437 Soluble
85 T H -0.6242 Soluble
86 T H 0.0000 Buried
87 G H 0.0000 Buried
88 Y H -0.3975 Soluble
89 M H 0.0000 Buried
90 E H -1.4123 Soluble
91 L H 0.0000 Buried
92 R H -2.4377 Soluble
93 R H -2.9182 Soluble
94 L H 0.0000 Buried
95 R H -2.8956 Soluble
96 S H -2.0579 Soluble
97 D H -2.3393 Soluble
98 D H 0.0000 Buried
99 T H -0.7017 Soluble
100 A H 0.0000 Buried
101 V H 0.2639 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H -0.2700 Soluble
107 D H 0.0000 Buried
108 Y H 1.1955 Aggregation-prone
109 T H 0.0000 Buried
110 R H -0.0152 Soluble
111 G H 0.0000 Buried
111A A H 0.0000 Buried
111B W H 1.5132 Aggregation-prone
111C F H 1.5062 Aggregation-prone
112D G H -0.4221 Soluble
112C E H -1.4139 Soluble
112B S H -0.6554 Soluble
112A L H 0.5040 Aggregation-prone
112 I H 1.8923 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.8107 Soluble
117 N H -1.2214 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.2379 Soluble
121 G H -0.4491 Soluble
122 T H 0.0000 Buried
123 L H 0.1129 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.2460 Soluble
128 S H -0.9377 Soluble
129 A H -0.5957 Soluble
130 S H -0.6526 Soluble
131 T H -0.5952 Soluble
132 K H -1.1758 Soluble
133 G H -1.3337 Soluble
134 P H 0.0000 Buried
135 S H -0.3749 Soluble
136 V H 0.0000 Buried
137 F H -0.7768 Soluble
138 P H -1.3048 Soluble
139 L H 0.0000 Buried
140 A H -1.2126 Soluble
141 P H 0.0000 Buried
142 S H -1.2733 Soluble
143 S H -1.4288 Soluble
144 K H -1.9712 Soluble
145 S H -1.3414 Soluble
146 T H -0.9136 Soluble
147 S H -0.6396 Soluble
148 G H -0.8657 Soluble
149 G H -0.8703 Soluble
150 T H -0.6280 Soluble
151 A H -0.5405 Soluble
152 A H 0.0000 Buried
153 L H 0.0000 Buried
154 G H 0.0000 Buried
155 C H 0.0000 Buried
156 L H 0.0000 Buried
157 V H 0.0000 Buried
158 K H 0.0000 Buried
159 D H -0.4463 Soluble
160 Y H 0.0000 Buried
161 F H 0.0000 Buried
162 P H 0.0000 Buried
163 E H -0.6737 Soluble
164 P H -0.9120 Soluble
165 V H -0.7365 Soluble
166 T H -0.5992 Soluble
167 V H -0.2174 Soluble
168 S H -0.4038 Soluble
169 W H 0.0000 Buried
170 N H -0.7001 Soluble
171 S H -0.6583 Soluble
172 G H -0.5262 Soluble
173 A H -0.2491 Soluble
174 L H -0.0070 Soluble
175 T H -0.1710 Soluble
176 S H -0.1747 Soluble
177 G H -0.1693 Soluble
178 V H 0.1388 Aggregation-prone
179 H H -0.2736 Soluble
180 T H 0.0724 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.2628 Soluble
183 A H 0.1699 Aggregation-prone
184 V H 0.3269 Aggregation-prone
185 L H 0.8551 Aggregation-prone
186 Q H 0.0512 Aggregation-prone
187 S H -0.1241 Soluble
188 S H -0.2470 Soluble
189 G H -0.0571 Soluble
190 L H -0.0700 Soluble
191 Y H 0.0000 Buried
192 S H 0.0000 Buried
193 L H 0.1504 Aggregation-prone
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1276 Soluble
199 V H 0.0000 Buried
200 P H -0.4926 Soluble
201 S H -0.5769 Soluble
202 S H -0.5855 Soluble
203 S H -0.5762 Soluble
204 L H -0.7260 Soluble
205 G H -0.9084 Soluble
206 T H -0.7040 Soluble
207 Q H -1.1714 Soluble
208 T H -1.0754 Soluble
209 Y H 0.0000 Buried
210 I H -1.3789 Soluble
211 C H 0.0000 Buried
212 N H -1.5722 Soluble
213 V H 0.0000 Buried
214 N H -1.9752 Soluble
215 H H 0.0000 Buried
216 K H -2.7356 Soluble
217 P H -1.6290 Soluble
218 S H -1.8124 Soluble
219 N H -2.4986 Soluble
220 T H -2.1057 Soluble
221 K H -2.7293 Soluble
222 V H -1.7935 Soluble
223 D H -2.7239 Soluble
224 K H -2.3038 Soluble
225 K H -2.7048 Soluble
226 V H 0.0000 Buried
227 E H -2.8191 Soluble
228 P H -1.7971 Soluble
229 K H -2.0174 Soluble
230 S H -0.8157 Soluble
231 C H 0.3828 Aggregation-prone
1 E L -1.6587 Soluble
2 I L 0.0000 Buried
3 V L 0.4982 Aggregation-prone
4 L L 0.0000 Buried
5 T L -0.5677 Soluble
6 Q L 0.0000 Buried
7 S L -0.9880 Soluble
8 P L -0.7506 Soluble
9 G L -1.0334 Soluble
10 T L -0.8068 Soluble
11 L L -0.4867 Soluble
12 S L -0.6253 Soluble
13 L L -0.8912 Soluble
14 S L -1.4644 Soluble
15 P L -1.8546 Soluble
16 G L -2.1105 Soluble
17 E L -2.8086 Soluble
18 R L -3.1938 Soluble
19 A L 0.0000 Buried
20 T L -0.5509 Soluble
21 L L 0.0000 Buried
22 S L -0.8845 Soluble
23 C L 0.0000 Buried
24 R L -2.3355 Soluble
25 A L 0.0000 Buried
26 S L -1.0742 Soluble
27 Q L -1.6991 Soluble
28 T L -1.3170 Soluble
29 V L 0.0000 Buried
30 S L -0.6982 Soluble
36 S L -0.3028 Soluble
37 T L 0.2275 Aggregation-prone
38 S L 0.0000 Buried
39 L L 0.0000 Buried
40 A 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 0.0000 Buried
45 K L -1.5787 Soluble
46 P L -1.2996 Soluble
47 G L -1.4079 Soluble
48 Q L -2.0182 Soluble
49 A L -1.4211 Soluble
50 P L 0.0000 Buried
51 R L -1.4187 Soluble
52 L L -0.6227 Soluble
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.5612 Aggregation-prone
56 G L 0.3626 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.5274 Soluble
66 S L -0.2893 Soluble
67 R L -0.9706 Soluble
68 A L -0.5161 Soluble
69 T L -0.4312 Soluble
70 G L -0.7251 Soluble
71 I L -0.8225 Soluble
72 P L -1.2125 Soluble
74 D L -2.3103 Soluble
75 R L -1.9770 Soluble
76 F L 0.0000 Buried
77 S L -0.8111 Soluble
78 G L -0.4486 Soluble
79 S L -0.6817 Soluble
80 G L -1.0670 Soluble
83 S L -1.0077 Soluble
84 G L -1.0891 Soluble
85 T L -1.6880 Soluble
86 D L -1.9765 Soluble
87 F L 0.0000 Buried
88 T L -0.7890 Soluble
89 L L 0.0000 Buried
90 T L -0.7947 Soluble
91 I L 0.0000 Buried
92 S L -2.3719 Soluble
93 R L -3.4235 Soluble
94 L L 0.0000 Buried
95 E L -2.3512 Soluble
96 P L -1.5447 Soluble
97 E L -2.2649 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.7899 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 H L 0.0000 Buried
108 D L -1.2105 Soluble
114 T L -1.1326 Soluble
115 S L -1.0669 Soluble
116 L L 0.0000 Buried
117 T L -0.1288 Soluble
118 F L 0.2404 Aggregation-prone
119 G L 0.0000 Buried
120 G L -0.6226 Soluble
121 G L -0.9239 Soluble
122 T L 0.0000 Buried
123 K L -1.6332 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.8833 Soluble
127 K L -1.2692 Soluble
128 R L -1.0699 Soluble
129 T L -0.1075 Soluble
130 V L 0.5503 Aggregation-prone
131 A L 0.1272 Aggregation-prone
132 A L -0.0383 Soluble
133 P L 0.0000 Buried
134 S L -0.2024 Soluble
135 V L 0.0000 Buried
136 F L -0.1937 Soluble
137 I L 0.0080 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.5569 Soluble
140 P L 0.0000 Buried
141 S L -1.7922 Soluble
142 D L -3.1601 Soluble
143 E L -3.0645 Soluble
144 Q L 0.0000 Buried
145 L L -2.1748 Soluble
146 K L -2.8891 Soluble
147 S L -1.7906 Soluble
148 G L -1.4126 Soluble
149 T L -1.0673 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 -0.6545 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.1820 Soluble
162 R L -1.9590 Soluble
163 E L -2.7391 Soluble
164 A L -2.0624 Soluble
165 K L -2.2200 Soluble
166 V L -1.0709 Soluble
167 Q L -0.6301 Soluble
168 W L 0.0000 Buried
169 K L -0.5119 Soluble
170 V L 0.0000 Buried
171 D L -1.9081 Soluble
172 N L -1.4910 Soluble
173 A L -0.2321 Soluble
174 L L 0.7315 Aggregation-prone
175 Q L -0.1333 Soluble
176 S L -0.4649 Soluble
177 G L -0.9363 Soluble
178 N L -0.8521 Soluble
179 S L -1.2146 Soluble
180 Q L -1.6439 Soluble
181 E L -1.6716 Soluble
182 S L -0.6035 Soluble
183 V L -0.3547 Soluble
184 T L -0.9396 Soluble
185 E L -2.0931 Soluble
186 Q L -1.7128 Soluble
187 D L -1.9350 Soluble
188 S L -1.7341 Soluble
189 K L -2.2732 Soluble
190 D L -1.7547 Soluble
191 S L -1.7259 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L -0.4606 Soluble
197 S L 0.0000 Buried
198 T L -0.6815 Soluble
199 L L 0.0000 Buried
200 T L -0.4974 Soluble
201 L L -0.7472 Soluble
202 S L -1.3452 Soluble
203 K L -2.2625 Soluble
204 A L -2.0199 Soluble
205 D L -2.6984 Soluble
206 Y L 0.0000 Buried
207 E L -3.7594 Soluble
208 K L -3.7698 Soluble
209 H L -3.0433 Soluble
210 K L -3.2011 Soluble
211 V L -1.4707 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
215 E L -0.8076 Soluble
216 V L 0.0000 Buried
217 T L -1.1704 Soluble
218 H L 0.0000 Buried
219 Q L -1.4634 Soluble
220 G L -0.4204 Soluble
221 L L -0.2523 Soluble
222 S L -0.4712 Soluble
223 S L -0.4153 Soluble
224 P L -0.5251 Soluble
225 V L -0.0198 Soluble
226 T L -0.5209 Soluble
227 K L -0.8165 Soluble
228 S L -0.8470 Soluble
229 F L 0.0000 Buried
230 N L -1.6203 Soluble
231 R L -2.2099 Soluble
232 G L -1.3237 Soluble
233 E L -1.4487 Soluble
234 C L -0.3172 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
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 -0.7099 5.3288 CSV PDB
4.5 -0.7512 5.2393 CSV PDB
5.0 -0.8005 5.1177 CSV PDB
5.5 -0.8479 5.0114 CSV PDB
6.0 -0.8821 4.9495 CSV PDB
6.5 -0.8937 4.9024 CSV PDB
7.0 -0.8813 4.8755 CSV PDB
7.5 -0.8522 4.864 CSV PDB
8.0 -0.8138 4.8598 CSV PDB
8.5 -0.7692 4.8583 CSV PDB
9.0 -0.7187 4.8574 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH