Sotrovimab / 7xsw

A4DAB245_7xsw_H_L | Source PDB: 7xsw | Chains: H, L | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.701
Max Score
1.6257
Min Score
-3.5702
Total Score
-303.54
Score CDR
-0.266
Score non-CDR
-0.763

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSVDKRVEPKSCEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.5702
Maximum Score 1.6257
Average Score -0.701
Total Score -303.5394

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

Index Residue Chain A4D Score Classification
1 Q H -1.5995 Soluble
2 V H -1.4307 Soluble
3 Q H -1.6478 Soluble
4 L H 0.0000 Buried
5 V H 0.3374 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6610 Soluble
8 G H -0.6537 Soluble
9 A H -0.4620 Soluble
11 E H -1.3411 Soluble
12 V H -0.1097 Soluble
13 K H -1.5959 Soluble
14 K H -2.4832 Soluble
15 P H -2.3748 Soluble
16 G H -1.9127 Soluble
17 A H -1.3621 Soluble
18 S H -1.7706 Soluble
19 V H 0.0000 Buried
20 K H -2.2221 Soluble
21 V H 0.0000 Buried
22 S H -0.3873 Soluble
23 C H 0.0000 Buried
24 K H -0.7948 Soluble
25 A H 0.0000 Buried
26 S H -0.9403 Soluble
27 G H -1.0820 Soluble
28 Y H -0.5252 Soluble
29 P H -0.2506 Soluble
30 F H 0.0000 Buried
35 T H 0.0862 Aggregation-prone
36 S H 0.5048 Aggregation-prone
37 Y H 0.7209 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 -0.4930 Soluble
44 Q H -0.6750 Soluble
45 A H -0.9407 Soluble
46 P H -0.8783 Soluble
47 G H -1.2166 Soluble
48 Q H -1.7453 Soluble
49 G H -1.1107 Soluble
50 L H 0.0000 Buried
51 E H -0.6857 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 0.2837 Aggregation-prone
62 N H -1.0137 Soluble
63 G H -1.5545 Soluble
64 N H -1.9051 Soluble
65 T H -1.3284 Soluble
66 N H -1.5701 Soluble
67 Y H -1.2325 Soluble
68 A H 0.0000 Buried
69 Q H -2.5124 Soluble
70 K H -2.6923 Soluble
71 F H 0.0000 Buried
72 Q H -2.4350 Soluble
74 G H -1.8346 Soluble
75 R H -1.8396 Soluble
76 V H 0.0000 Buried
77 T H -0.8744 Soluble
78 M H 0.0000 Buried
79 T H -0.3832 Soluble
80 T H -0.4359 Soluble
81 D H -0.9350 Soluble
82 T H -0.5211 Soluble
83 S H -0.5300 Soluble
84 T H -0.6177 Soluble
85 T H -0.7070 Soluble
86 T H 0.0000 Buried
87 G H 0.0000 Buried
88 Y H -0.2677 Soluble
89 M H 0.0000 Buried
90 E H -1.4851 Soluble
91 L H 0.0000 Buried
92 R H -2.6093 Soluble
95 R H -3.4049 Soluble
96 S H -2.5028 Soluble
97 D H -2.5668 Soluble
98 D H 0.0000 Buried
99 T H -0.8678 Soluble
100 A H 0.0000 Buried
101 V H 0.2278 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 -0.3095 Soluble
107 D H 0.0000 Buried
108 Y H 1.0035 Aggregation-prone
109 T H 0.0000 Buried
110 R H -0.2751 Soluble
111 G H 0.5254 Aggregation-prone
111A A H 0.0000 Buried
111B W H 1.4732 Aggregation-prone
111C F H 1.6257 Aggregation-prone
112D G H -0.6163 Soluble
112C E H -1.4547 Soluble
112B S H -0.6987 Soluble
112A L H 0.3391 Aggregation-prone
112 I H 1.5953 Aggregation-prone
113 G H 0.0000 Buried
114 G H 0.0000 Buried
115 F H 0.0000 Buried
116 D H -0.8223 Soluble
117 N H -1.6194 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.3514 Soluble
121 G H -0.5135 Soluble
122 T H 0.0000 Buried
123 L H 0.1605 Aggregation-prone
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.3871 Soluble
128 S H -1.3145 Soluble
129 A H -0.6739 Soluble
130 S H -0.6815 Soluble
131 T H -0.9510 Soluble
132 K H -1.1638 Soluble
133 G H -0.9392 Soluble
134 P H -0.2998 Soluble
135 S H -0.1085 Soluble
136 V H 0.0000 Buried
137 F H -0.7110 Soluble
138 P H -1.0872 Soluble
139 L H 0.0000 Buried
140 A H -1.2727 Soluble
141 P H 0.0000 Buried
142 S H -0.6914 Soluble
143 S H -0.5776 Soluble
144 G H -0.6782 Soluble
145 T H -0.4807 Soluble
146 A H -0.2773 Soluble
147 A H 0.0000 Buried
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.5778 Soluble
155 Y H 0.0000 Buried
156 F H 0.0000 Buried
157 P H -0.5788 Soluble
158 E H -0.7280 Soluble
159 P H -0.8570 Soluble
160 V H -0.7348 Soluble
161 T H -0.5669 Soluble
162 V H -0.1595 Soluble
163 S H -0.4401 Soluble
164 W H 0.0000 Buried
165 N H -1.2818 Soluble
166 S H -0.8834 Soluble
167 G H -0.7383 Soluble
168 A H -0.4882 Soluble
169 L H -0.1932 Soluble
170 T H -0.2049 Soluble
171 S H -0.3073 Soluble
172 G H -0.0673 Soluble
173 V H 0.3130 Aggregation-prone
174 H H -0.2540 Soluble
175 T H 0.1426 Aggregation-prone
176 F H 0.0000 Buried
177 P H -0.3126 Soluble
178 A H 0.3606 Aggregation-prone
179 V H 0.8227 Aggregation-prone
180 L H 1.5526 Aggregation-prone
181 Q H 0.4213 Aggregation-prone
182 S H -0.0430 Soluble
183 S H -0.1690 Soluble
184 G H 0.0285 Aggregation-prone
185 L H 0.2032 Aggregation-prone
186 Y H 0.5883 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.2834 Aggregation-prone
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.1060 Soluble
194 V H 0.0000 Buried
195 P H -0.5037 Soluble
196 S H -0.6250 Soluble
197 S H -0.6695 Soluble
198 S H -0.7228 Soluble
199 L H -0.8471 Soluble
200 G H -1.0892 Soluble
201 T H -0.8717 Soluble
202 Q H -1.5330 Soluble
203 T H -1.3855 Soluble
204 Y H -1.0211 Soluble
205 I H -1.2441 Soluble
206 C H 0.0000 Buried
207 N H -1.0281 Soluble
208 V H 0.0000 Buried
209 N H -1.3267 Soluble
210 H H 0.0000 Buried
211 K H -2.2226 Soluble
212 P H -1.4412 Soluble
213 S H -1.2268 Soluble
214 V H 0.5016 Aggregation-prone
215 D H -1.6597 Soluble
216 K H -1.8552 Soluble
217 R H -2.7819 Soluble
218 V H 0.0000 Buried
219 E H -2.9556 Soluble
220 P H -2.0852 Soluble
221 K H -2.0951 Soluble
222 S H -1.2058 Soluble
223 C H -0.4919 Soluble
1 E L -1.9030 Soluble
2 I L 0.0000 Buried
3 V L -0.1921 Soluble
4 L L 0.0000 Buried
5 T L -0.7600 Soluble
6 Q L -0.9292 Soluble
7 S L -0.8672 Soluble
8 P L -0.6847 Soluble
9 G L -0.9673 Soluble
10 T L -0.6996 Soluble
11 L L -0.3491 Soluble
12 S L -0.5118 Soluble
13 L L -0.7172 Soluble
14 S L -1.1097 Soluble
15 P L -1.5885 Soluble
16 G L -1.7834 Soluble
17 E L -2.3569 Soluble
18 R L -2.9302 Soluble
19 A L 0.0000 Buried
20 T L -0.5333 Soluble
21 L L 0.0000 Buried
22 S L -1.0265 Soluble
23 C L 0.0000 Buried
24 R L -2.4894 Soluble
25 A L 0.0000 Buried
26 S L -1.3038 Soluble
27 Q L -1.9733 Soluble
28 T L -1.3826 Soluble
29 V L 0.0000 Buried
30 S L -0.6963 Soluble
36 S L -0.3788 Soluble
37 T L 0.1009 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 -1.3530 Soluble
46 P L -1.2168 Soluble
47 G L -1.3224 Soluble
48 Q L -1.9882 Soluble
49 A L -1.5181 Soluble
50 P L 0.0000 Buried
51 R L -1.7120 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0390 Aggregation-prone
56 G L 0.0545 Aggregation-prone
57 A L 0.0000 Buried
65 S L -0.8523 Soluble
66 S L -0.9363 Soluble
67 R L -2.2747 Soluble
68 A L -1.2475 Soluble
69 T L -0.8007 Soluble
70 G L -1.0262 Soluble
71 I L 0.0000 Buried
72 P L -1.4706 Soluble
74 D L -2.5293 Soluble
75 R L -1.9879 Soluble
76 F L 0.0000 Buried
77 S L -1.1759 Soluble
78 G L -0.7051 Soluble
79 S L -0.7735 Soluble
80 G L -1.2661 Soluble
83 S L -1.0300 Soluble
84 G L -1.2537 Soluble
85 T L -1.8960 Soluble
86 D L -2.7434 Soluble
87 F L 0.0000 Buried
88 T L -0.9438 Soluble
89 L L 0.0000 Buried
90 T L -0.8137 Soluble
91 I L 0.0000 Buried
92 S L -2.2381 Soluble
93 R L -3.1893 Soluble
94 L L 0.0000 Buried
95 E L -2.1249 Soluble
96 P L -1.3085 Soluble
97 E L -1.7864 Soluble
98 D L 0.0000 Buried
99 F L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.4973 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 -1.4534 Soluble
114 T L -1.1508 Soluble
115 S L -0.9763 Soluble
116 L L 0.0000 Buried
117 T L -0.3562 Soluble
118 F L 0.0000 Buried
119 G L -0.4639 Soluble
120 G L -0.9333 Soluble
121 G L -0.9230 Soluble
122 T L 0.0000 Buried
123 K L -1.2601 Soluble
124 V L 0.0000 Buried
125 E L 0.0000 Buried
126 I L -0.5819 Soluble
127 K L -1.1598 Soluble
128 R L -1.5019 Soluble
129 T L -0.2848 Soluble
130 V L 0.3225 Aggregation-prone
131 A L 0.0371 Aggregation-prone
132 A L -0.0879 Soluble
133 P L 0.0000 Buried
134 S L -0.1233 Soluble
135 V L 0.0000 Buried
136 F L 0.1521 Aggregation-prone
137 I L 0.1378 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.4786 Soluble
140 P L 0.0000 Buried
141 S L -1.7376 Soluble
142 D L -2.9011 Soluble
143 E L -2.9423 Soluble
144 Q L 0.0000 Buried
145 L L -2.2073 Soluble
146 K L -2.8112 Soluble
147 S L -1.7273 Soluble
148 G L -1.3295 Soluble
149 T L -1.0021 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 -0.3753 Soluble
158 N L -0.8869 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.2476 Soluble
162 R L -1.8214 Soluble
163 E L -2.6406 Soluble
164 A L -2.0237 Soluble
165 K L -2.2665 Soluble
166 V L -1.2110 Soluble
167 Q L -0.5473 Soluble
168 W L 0.0000 Buried
169 K L -0.5548 Soluble
170 V L 0.0000 Buried
171 D L -1.7353 Soluble
172 N L -1.4716 Soluble
173 A L -0.2456 Soluble
174 L L 0.6782 Aggregation-prone
175 Q L -0.2159 Soluble
176 S L -0.4483 Soluble
177 G L -0.9249 Soluble
178 N L -1.1365 Soluble
179 S L -1.1593 Soluble
180 Q L -1.3351 Soluble
181 E L -1.7594 Soluble
182 S L 0.0000 Buried
183 V L -0.0115 Soluble
184 T L -0.7115 Soluble
185 E L -2.0117 Soluble
186 Q L -1.9279 Soluble
187 D L -2.3792 Soluble
188 S L -2.1424 Soluble
189 K L -2.9044 Soluble
190 D L -3.0944 Soluble
191 S L -2.3326 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 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.7005 Soluble
199 L L 0.0000 Buried
200 T L -0.4569 Soluble
201 L L 0.0000 Buried
202 S L -1.2004 Soluble
203 K L -2.1528 Soluble
204 A L -1.9165 Soluble
205 D L -2.4298 Soluble
206 Y L 0.0000 Buried
207 E L -3.5702 Soluble
208 K L -3.4691 Soluble
209 H L -2.9385 Soluble
210 K L -3.0721 Soluble
211 V L -1.3000 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7807 Soluble
216 V L 0.0000 Buried
217 T L -1.2154 Soluble
218 H L 0.0000 Buried
219 Q L -1.6556 Soluble
220 G L -0.4327 Soluble
221 L L -0.2760 Soluble
222 S L -0.4680 Soluble
223 S L -0.4093 Soluble
224 P L -0.6405 Soluble
225 V L -0.0465 Soluble
226 T L -0.4906 Soluble
227 K L -0.6726 Soluble
228 S L -0.4814 Soluble
229 F L -0.8839 Soluble
230 N L -1.6942 Soluble
231 R L -2.1640 Soluble
232 G L -1.7910 Soluble
233 E L -2.3058 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 -0.656 5.4361 CSV PDB
4.5 -0.7015 5.3503 CSV PDB
5.0 -0.7552 5.2371 CSV PDB
5.5 -0.8076 5.1155 CSV PDB
6.0 -0.8486 5.0123 CSV PDB
6.5 -0.8692 4.9718 CSV PDB
7.0 -0.8683 4.9496 CSV PDB
7.5 -0.8521 4.9403 CSV PDB
8.0 -0.8271 4.937 CSV PDB
8.5 -0.7954 4.9358 CSV PDB
9.0 -0.757 4.935 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH