Sotrovimab / 7jx3

A4DAB245_7jx3_H_L | Source PDB: 7jx3 | Chains: H, L | Done
55.31
Yes
10 Å
Yes
Avg A4D Score
-0.5976
Max Score
1.5651
Min Score
-3.3361
Total Score
-261.14
Score CDR
-0.0751
Score non-CDR
-0.662

Calculation Parameters

Chain Sequence(s) VQLVESGGGLVQPGGSLRLSCAASGFTFSSYDMHWVRQTTGKGLEWVSTIGTAGDTYYPDSVKGRFTISREDAKNSLYLQMNSLRAGDTAVYYCARGDSSGYYYYFDYWGQGTLLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIEMTQSPSSLSAAVGDRVTITCRASQSIGSYLNWYQQKPGKAPKLLIYAASSLQSGVPSRFSGSGSGTDFTLTISSLQPEDFAIYYCQQSYVSPTYTFGPGTKVDIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.3361
Maximum Score 1.5651
Average Score -0.5976
Total Score -261.1368

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

Index Residue Chain A4D Score Classification
2 V H 0.0247 Aggregation-prone
3 Q H -0.6261 Soluble
4 L H 0.0000 Buried
5 V H 1.0402 Aggregation-prone
6 E H 0.2723 Aggregation-prone
7 S H -0.4950 Soluble
8 G H -0.9905 Soluble
9 G H -0.5998 Soluble
11 G H -0.3582 Soluble
12 L H -0.2744 Soluble
13 V H 0.0000 Buried
14 Q H -1.5483 Soluble
15 P H -1.6925 Soluble
16 G H -1.5804 Soluble
17 G H -1.2295 Soluble
18 S H -1.1505 Soluble
19 L H -0.8113 Soluble
20 R H -1.6285 Soluble
21 L H 0.0000 Buried
22 S H -0.3755 Soluble
23 C H 0.0000 Buried
24 A H -0.1445 Soluble
25 A H 0.0000 Buried
26 S H -0.4205 Soluble
27 G H -0.5100 Soluble
28 F H -0.0938 Soluble
29 T H -0.2136 Soluble
30 F H 0.0000 Buried
35 S H -0.7013 Soluble
36 S H -0.3670 Soluble
37 Y H -0.1611 Soluble
38 D H -0.5759 Soluble
39 M H 0.0000 Buried
40 H H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.5959 Soluble
45 T H -0.8497 Soluble
46 T H -0.7244 Soluble
47 G H -1.3853 Soluble
48 K H -2.1236 Soluble
49 G H -1.2624 Soluble
50 L H -0.7024 Soluble
51 E H -0.8253 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 T H 0.0000 Buried
56 I H 0.0000 Buried
57 G H 0.0000 Buried
58 T H -0.5470 Soluble
59 A H -0.4571 Soluble
63 G H -0.7694 Soluble
64 D H -0.7147 Soluble
65 T H -0.1362 Soluble
66 Y H 0.2089 Aggregation-prone
67 Y H -0.6145 Soluble
68 P H -1.3067 Soluble
69 D H -2.5138 Soluble
70 S H -1.5254 Soluble
71 V H 0.0000 Buried
72 K H -2.5381 Soluble
74 G H -1.7206 Soluble
75 R H -1.4373 Soluble
76 F H 0.0000 Buried
77 T H -0.7441 Soluble
78 I H 0.0000 Buried
79 S H -0.6278 Soluble
80 R H -1.2934 Soluble
81 E H -1.8867 Soluble
82 D H -2.0095 Soluble
83 A H -1.5461 Soluble
84 K H -2.4262 Soluble
85 N H -1.8931 Soluble
86 S H -1.1931 Soluble
87 L H 0.0000 Buried
88 Y H -0.6104 Soluble
89 L H 0.0000 Buried
90 Q H -1.0612 Soluble
91 M H 0.0000 Buried
92 N H -1.3557 Soluble
93 S H -1.3243 Soluble
94 L H 0.0000 Buried
95 R H -2.4556 Soluble
96 A H -1.3391 Soluble
97 G H -1.0948 Soluble
98 D H 0.0000 Buried
99 T H -0.3962 Soluble
100 A H 0.0000 Buried
101 V H 0.2294 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 0.0000 Buried
107 G H 0.0000 Buried
108 D H -0.3289 Soluble
109 S H -0.0070 Soluble
110 S H 0.0458 Aggregation-prone
111 G H 0.1366 Aggregation-prone
112A Y H 1.3452 Aggregation-prone
112 Y H 0.9933 Aggregation-prone
113 Y H 0.6183 Aggregation-prone
114 Y H 0.0000 Buried
115 F H 0.0000 Buried
116 D H 0.0000 Buried
117 Y H 0.3040 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3598 Soluble
121 G H -0.4977 Soluble
122 T H 0.0317 Aggregation-prone
123 L H 0.3246 Aggregation-prone
124 L H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -0.9049 Soluble
128 S H -0.6879 Soluble
129 A H -0.4919 Soluble
130 S H -0.5491 Soluble
131 T H -0.7031 Soluble
132 K H -1.1690 Soluble
133 G H -1.3479 Soluble
134 P H -0.5308 Soluble
135 S H -0.3698 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.0795 Soluble
139 L H 0.0000 Buried
140 A H -0.9289 Soluble
141 P H 0.0000 Buried
142 S H -0.4043 Soluble
143 S H -0.4339 Soluble
144 K H -0.5627 Soluble
145 S H 0.0000 Buried
146 T H -0.5970 Soluble
147 S H -0.7346 Soluble
148 G H -0.8506 Soluble
149 G H -0.9004 Soluble
150 T H -0.6150 Soluble
151 A H 0.0000 Buried
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 -0.2850 Soluble
160 Y H 0.0000 Buried
161 F H -0.1049 Soluble
162 P H 0.0000 Buried
163 E H -0.2223 Soluble
164 P H -0.4144 Soluble
165 V H -0.4725 Soluble
166 T H -0.4657 Soluble
167 V H -0.2613 Soluble
168 S H -0.3159 Soluble
169 W H 0.0000 Buried
170 N H -0.7801 Soluble
171 S H -0.6102 Soluble
172 G H -0.3919 Soluble
173 A H -0.1709 Soluble
174 L H 0.0630 Aggregation-prone
175 T H -0.0802 Soluble
176 S H -0.1416 Soluble
177 G H -0.1648 Soluble
178 V H 0.2141 Aggregation-prone
179 H H -0.1964 Soluble
180 T H 0.1028 Aggregation-prone
181 F H 0.0000 Buried
182 P H -0.1118 Soluble
183 A H 0.3473 Aggregation-prone
184 V H 0.5651 Aggregation-prone
185 L H 1.0928 Aggregation-prone
186 Q H 0.2291 Aggregation-prone
187 S H -0.1095 Soluble
188 S H -0.2395 Soluble
189 G H -0.0392 Soluble
190 L H 0.2204 Aggregation-prone
191 Y H 0.5428 Aggregation-prone
192 S H 0.0000 Buried
193 L H 0.0000 Buried
194 S H 0.0000 Buried
195 S H 0.0000 Buried
196 V H 0.0000 Buried
197 V H 0.0000 Buried
198 T H -0.1193 Soluble
199 V H 0.0000 Buried
200 P H -0.5472 Soluble
201 S H -0.5682 Soluble
202 S H -0.5507 Soluble
203 S H -0.5818 Soluble
204 L H -0.8598 Soluble
205 G H -1.2036 Soluble
206 T H -0.6855 Soluble
207 Q H -1.0215 Soluble
208 T H -1.1100 Soluble
209 Y H 0.0000 Buried
210 I H -1.3057 Soluble
211 C H 0.0000 Buried
212 N H -1.4693 Soluble
213 V H 0.0000 Buried
214 N H -1.7639 Soluble
215 H H 0.0000 Buried
216 K H -2.6978 Soluble
217 P H -1.4946 Soluble
218 S H -1.7700 Soluble
219 N H -2.5869 Soluble
220 T H -1.9936 Soluble
221 K H -2.6065 Soluble
222 V H -1.5049 Soluble
223 D H -2.4311 Soluble
224 K H -2.1854 Soluble
225 K H -2.4682 Soluble
226 V H 0.0000 Buried
227 E H -2.5687 Soluble
228 P H -1.7339 Soluble
229 K H -1.3679 Soluble
230 S H -0.5957 Soluble
231 C H 0.0251 Aggregation-prone
1 D L -2.4141 Soluble
2 I L 0.0000 Buried
3 E L -2.8294 Soluble
4 M L 0.0000 Buried
5 T L -1.3790 Soluble
6 Q L 0.0000 Buried
7 S L -0.7595 Soluble
8 P L -0.4749 Soluble
9 S L -0.5530 Soluble
10 S L -0.5488 Soluble
11 L L -0.4862 Soluble
12 S L -1.0181 Soluble
13 A L 0.0000 Buried
14 A L -0.7765 Soluble
15 V L 0.2873 Aggregation-prone
16 G L -0.7432 Soluble
17 D L -1.7701 Soluble
18 R L -2.3735 Soluble
19 V L 0.0000 Buried
20 T L -0.6833 Soluble
21 I L 0.0000 Buried
22 T L -0.8087 Soluble
23 C L 0.0000 Buried
24 R L -2.8192 Soluble
25 A L 0.0000 Buried
26 S L -2.2278 Soluble
27 Q L -2.2287 Soluble
28 S L -1.1625 Soluble
29 I L 0.0000 Buried
36 G L -0.4481 Soluble
37 S L -0.1127 Soluble
38 Y L 0.8982 Aggregation-prone
39 L L 0.0000 Buried
40 N L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.5238 Soluble
44 Q L 0.0000 Buried
45 K L -1.2203 Soluble
46 P L -1.0819 Soluble
47 G L -1.3827 Soluble
48 K L -2.0266 Soluble
49 A L -1.3443 Soluble
50 P L 0.0000 Buried
51 K L -0.9642 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.3240 Aggregation-prone
56 A L 0.2828 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.2287 Soluble
66 S L 0.0560 Aggregation-prone
67 L L 0.3253 Aggregation-prone
68 Q L -0.1806 Soluble
69 S L -0.3454 Soluble
70 G L -0.4953 Soluble
71 V L -0.2950 Soluble
72 P L -0.3150 Soluble
74 S L -0.3933 Soluble
75 R L -0.8109 Soluble
76 F L 0.0000 Buried
77 S L -0.3029 Soluble
78 G L -0.2631 Soluble
79 S L -0.6551 Soluble
80 G L -1.0389 Soluble
83 S L -0.9982 Soluble
84 G L -1.1770 Soluble
85 T L -1.7135 Soluble
86 D L -2.0717 Soluble
87 F L 0.0000 Buried
88 T L -0.7262 Soluble
89 L L 0.0000 Buried
90 T L -0.6419 Soluble
91 I L 0.0000 Buried
92 S L -1.4857 Soluble
93 S L -1.2941 Soluble
94 L L 0.0000 Buried
95 Q L -0.7549 Soluble
96 P L -1.3202 Soluble
97 E L -1.4249 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 I L 0.1274 Aggregation-prone
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 S L 0.0000 Buried
108 Y L 1.5651 Aggregation-prone
109 V L 0.6515 Aggregation-prone
113 S L 0.1613 Aggregation-prone
114 P L 0.2133 Aggregation-prone
115 T L -0.3079 Soluble
116 Y L -0.1318 Soluble
117 T L -0.6189 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 P L -0.9017 Soluble
121 G L -0.2960 Soluble
122 T L 0.0000 Buried
123 K L -0.7876 Soluble
124 V L 0.0000 Buried
125 D L -0.9874 Soluble
126 I L 0.0000 Buried
127 K L -1.5906 Soluble
128 R L -0.9224 Soluble
129 T L -0.0878 Soluble
130 V L 0.5707 Aggregation-prone
131 A L 0.0822 Aggregation-prone
132 A L -0.0263 Soluble
133 P L 0.0000 Buried
134 S L -0.3800 Soluble
135 V L 0.0000 Buried
136 F L 0.0000 Buried
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L -0.7688 Soluble
140 P L -0.7752 Soluble
141 S L -1.5036 Soluble
142 D L -2.7917 Soluble
143 E L -2.6323 Soluble
144 Q L 0.0000 Buried
145 L L -2.1166 Soluble
146 K L -2.7879 Soluble
147 S L -1.7499 Soluble
148 G L -1.5070 Soluble
149 T L -1.2531 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 -0.9939 Soluble
159 F L 0.0000 Buried
160 Y L -1.0037 Soluble
161 P L -1.6877 Soluble
162 R L -2.8224 Soluble
163 E L -3.1665 Soluble
164 A L -2.1278 Soluble
165 K L -2.1571 Soluble
166 V L -0.9767 Soluble
167 Q L -0.4056 Soluble
168 W L 0.0000 Buried
169 K L -0.3092 Soluble
170 V L 0.0000 Buried
171 D L -1.6140 Soluble
172 N L -1.2998 Soluble
173 A L -0.0732 Soluble
174 L L 0.9234 Aggregation-prone
175 Q L -0.0084 Soluble
176 S L -0.4343 Soluble
177 G L -0.9049 Soluble
178 N L -0.8201 Soluble
179 S L -0.9969 Soluble
180 Q L -1.1538 Soluble
181 E L -1.2160 Soluble
182 S L -0.4584 Soluble
183 V L -0.1931 Soluble
184 T L -0.7837 Soluble
185 E L -1.6992 Soluble
186 Q L 0.0000 Buried
187 D L -1.5920 Soluble
188 S L -1.8244 Soluble
189 K L -2.4104 Soluble
190 D L -1.8132 Soluble
191 S L 0.0000 Buried
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 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.5711 Soluble
199 L L 0.0000 Buried
200 T L -0.4562 Soluble
201 L L -0.6488 Soluble
202 S L -1.2337 Soluble
203 K L -2.0420 Soluble
204 A L -1.8420 Soluble
205 D L -2.4903 Soluble
206 Y L 0.0000 Buried
207 E L -3.0645 Soluble
208 K L -3.3361 Soluble
209 H L -2.8944 Soluble
210 K L -3.1229 Soluble
211 V L -1.6560 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.6378 Soluble
216 V L 0.0000 Buried
217 T L -1.0604 Soluble
218 H L 0.0000 Buried
219 Q L -1.4994 Soluble
220 G L -0.3318 Soluble
221 L L -0.1845 Soluble
222 S L -0.4260 Soluble
223 S L -0.3767 Soluble
224 P L -0.4537 Soluble
225 V L 0.2524 Aggregation-prone
226 T L -0.2451 Soluble
227 K L -0.5352 Soluble
228 S L -0.6782 Soluble
229 F L 0.0000 Buried
230 N L -2.3460 Soluble
231 R L -2.4769 Soluble
232 G L -1.7988 Soluble
233 E L -1.7046 Soluble
234 C L -0.7778 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
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 -0.6907 1.5484 CSV PDB
4.5 -0.7284 1.5456 CSV PDB
5.0 -0.7709 1.5401 CSV PDB
5.5 -0.8095 1.5315 CSV PDB
6.0 -0.8344 1.5213 CSV PDB
6.5 -0.8381 1.5102 CSV PDB
7.0 -0.8217 1.4989 CSV PDB
7.5 -0.7924 1.4874 CSV PDB
8.0 -0.7557 1.4779 CSV PDB
8.5 -0.7127 1.4768 CSV PDB
9.0 -0.664 1.4734 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH