Sotrovimab / 7tn0

A4DAB245_7tn0_C_D | Source PDB: 7tn0 | Chains: C, D | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7053
Max Score
2.2697
Min Score
-3.7694
Total Score
-308.22
Score CDR
-0.1772
Score non-CDR
-0.7798

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) C (Heavy), D (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 -3.7694
Maximum Score 2.2697
Average Score -0.7053
Total Score -308.2165

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

Index Residue Chain A4D Score Classification
1 Q C -1.3432 Soluble
2 V C -0.8460 Soluble
3 Q C -1.6663 Soluble
4 L C 0.0000 Buried
5 V C -0.7493 Soluble
6 Q C 0.0000 Buried
7 S C -0.7481 Soluble
8 G C -0.5760 Soluble
9 A C 0.0149 Aggregation-prone
11 E C -0.1794 Soluble
12 V C 0.4838 Aggregation-prone
13 K C -0.8998 Soluble
14 K C -1.9345 Soluble
15 P C -2.4643 Soluble
16 G C -2.4056 Soluble
17 A C -1.8014 Soluble
18 S C -2.2568 Soluble
19 V C 0.0000 Buried
20 K C -2.0362 Soluble
21 V C 0.0000 Buried
22 S C -0.6919 Soluble
23 C C 0.0000 Buried
24 K C -1.6456 Soluble
25 A C 0.0000 Buried
26 S C -1.0812 Soluble
27 G C -0.9085 Soluble
28 Y C -0.3785 Soluble
29 P C -0.2841 Soluble
30 F C 0.0000 Buried
35 T C 0.0686 Aggregation-prone
36 S C 0.3832 Aggregation-prone
37 Y C 0.5094 Aggregation-prone
38 G C 0.0000 Buried
39 I C 0.0000 Buried
40 S C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C -0.3380 Soluble
44 Q C -0.6044 Soluble
45 A C -0.9954 Soluble
46 P C -0.7188 Soluble
47 G C -1.2154 Soluble
48 Q C -1.7432 Soluble
49 G C -1.0692 Soluble
50 L C 0.0000 Buried
51 E C -0.7640 Soluble
52 W C -0.2550 Soluble
53 M C 0.0000 Buried
54 G C 0.0000 Buried
55 W C 0.0000 Buried
56 I C 0.0000 Buried
57 S C 0.0000 Buried
58 T C 0.0000 Buried
59 Y C 0.2809 Aggregation-prone
62 N C -1.0024 Soluble
63 G C -1.3394 Soluble
64 N C -1.6332 Soluble
65 T C -1.4249 Soluble
66 N C -1.6520 Soluble
67 Y C -1.3540 Soluble
68 A C -1.8589 Soluble
69 Q C -2.6246 Soluble
70 K C -2.7003 Soluble
71 F C 0.0000 Buried
72 Q C -2.4995 Soluble
74 G C -2.0925 Soluble
75 R C -2.3293 Soluble
76 V C 0.0000 Buried
77 T C -0.9581 Soluble
78 M C 0.0000 Buried
79 T C -0.3512 Soluble
80 T C -0.6265 Soluble
81 D C -0.9532 Soluble
82 T C -0.4620 Soluble
83 S C -0.5227 Soluble
84 T C -0.7322 Soluble
85 T C -0.8061 Soluble
86 T C 0.0000 Buried
87 G C 0.0000 Buried
88 Y C -0.4477 Soluble
89 M C 0.0000 Buried
90 E C -1.4021 Soluble
91 L C 0.0000 Buried
92 R C -3.2949 Soluble
93 R C -3.4879 Soluble
94 L C 0.0000 Buried
95 R C -3.5543 Soluble
96 S C -2.2967 Soluble
97 D C -2.5057 Soluble
98 D C 0.0000 Buried
99 T C -0.8338 Soluble
100 A C 0.0000 Buried
101 V C 0.2732 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.2933 Soluble
107 D C 0.0000 Buried
108 Y C 0.9408 Aggregation-prone
109 T C 0.0000 Buried
110 R C 0.0962 Aggregation-prone
111 G C 0.0000 Buried
111A A C 0.0000 Buried
111B W C 1.4658 Aggregation-prone
111C F C 1.5499 Aggregation-prone
112D G C -0.4151 Soluble
112C E C -1.2705 Soluble
112B S C -0.4616 Soluble
112A L C 0.8523 Aggregation-prone
112 I C 2.2697 Aggregation-prone
113 G C 0.0000 Buried
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.5444 Soluble
117 N C -0.7602 Soluble
118 W C -0.6719 Soluble
119 G C 0.0000 Buried
120 Q C -1.5025 Soluble
121 G C -0.6698 Soluble
122 T C 0.0000 Buried
123 L C 0.3127 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C 0.0000 Buried
128 S C -1.0498 Soluble
129 A C -0.5048 Soluble
130 S C -0.5811 Soluble
131 T C -0.5080 Soluble
132 K C -1.2150 Soluble
133 G C -1.4025 Soluble
134 P C 0.0000 Buried
135 S C -0.3991 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -1.0732 Soluble
139 L C 0.0000 Buried
140 A C -1.2165 Soluble
141 P C 0.0000 Buried
142 S C -0.8450 Soluble
143 S C -0.6098 Soluble
144 G C -0.8052 Soluble
145 G C -0.8908 Soluble
146 T C -0.6324 Soluble
147 A C 0.0000 Buried
148 A C 0.0000 Buried
149 L C 0.0000 Buried
150 G C 0.0000 Buried
151 C C 0.0000 Buried
152 L C 0.0000 Buried
153 V C 0.0000 Buried
154 K C 0.0000 Buried
155 D C -0.4883 Soluble
156 Y C 0.0000 Buried
157 F C 0.0000 Buried
158 P C 0.0000 Buried
159 E C -0.4026 Soluble
160 P C -0.8073 Soluble
161 V C -0.7676 Soluble
162 T C -0.7618 Soluble
163 V C -0.4031 Soluble
164 S C -0.3337 Soluble
165 W C 0.0000 Buried
166 N C -0.5916 Soluble
167 S C -0.5465 Soluble
168 G C -0.4788 Soluble
169 A C -0.1752 Soluble
170 L C 0.0918 Aggregation-prone
171 T C -0.1115 Soluble
172 S C -0.1368 Soluble
173 G C -0.1323 Soluble
174 V C 0.1968 Aggregation-prone
175 H C -0.2937 Soluble
176 T C -0.1519 Soluble
177 F C 0.0000 Buried
178 P C -0.2942 Soluble
179 A C 0.1981 Aggregation-prone
180 V C 0.4041 Aggregation-prone
181 L C 1.0206 Aggregation-prone
182 Q C 0.1866 Aggregation-prone
183 S C -0.0687 Soluble
184 S C -0.2187 Soluble
185 G C 0.0000 Buried
186 L C 0.0294 Aggregation-prone
187 Y C 0.0000 Buried
188 S C 0.0000 Buried
189 L C 0.0000 Buried
190 S C 0.0000 Buried
191 S C 0.0000 Buried
192 V C 0.0000 Buried
193 V C 0.0000 Buried
194 T C -0.1126 Soluble
195 V C 0.0000 Buried
196 P C -0.6406 Soluble
197 S C -0.6584 Soluble
198 S C -0.6099 Soluble
199 S C -0.6096 Soluble
200 L C -0.8119 Soluble
201 G C -1.0102 Soluble
202 T C -0.6999 Soluble
203 Q C -1.1741 Soluble
204 T C -1.0886 Soluble
205 Y C 0.0000 Buried
206 I C -1.0819 Soluble
207 C C 0.0000 Buried
208 N C -1.3141 Soluble
209 V C 0.0000 Buried
210 N C -2.2295 Soluble
211 H C 0.0000 Buried
212 K C -2.7958 Soluble
213 P C -1.5170 Soluble
214 S C -1.8697 Soluble
215 N C -2.5784 Soluble
216 T C -2.1597 Soluble
217 K C -2.7180 Soluble
218 V C -1.5343 Soluble
219 D C -1.9074 Soluble
220 K C -1.7748 Soluble
221 K C -2.2937 Soluble
222 V C 0.0000 Buried
223 E C -2.8227 Soluble
224 P C -1.9219 Soluble
225 K C -2.1458 Soluble
1 E D -1.6643 Soluble
2 I D 0.0000 Buried
3 V D 0.7360 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.6896 Soluble
6 Q D -0.7985 Soluble
7 S D -0.9586 Soluble
8 P D -0.7144 Soluble
9 G D -0.8992 Soluble
10 T D -0.5504 Soluble
11 L D -0.2920 Soluble
12 S D -0.6026 Soluble
13 L D -0.9931 Soluble
14 S D -1.6568 Soluble
15 P D -2.0140 Soluble
16 G D -2.4454 Soluble
17 E D -3.0360 Soluble
18 R D -3.2186 Soluble
19 A D 0.0000 Buried
20 T D -0.6531 Soluble
21 L D 0.0000 Buried
22 S D -1.0917 Soluble
23 C D 0.0000 Buried
24 R D -2.3728 Soluble
25 A D 0.0000 Buried
26 S D -1.0198 Soluble
27 Q D -1.7698 Soluble
28 T D -1.3635 Soluble
29 V D 0.0000 Buried
30 S D -0.6330 Soluble
36 S D -0.2315 Soluble
37 T D 0.3533 Aggregation-prone
38 S D 0.0000 Buried
39 L D 0.0000 Buried
40 A D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D -0.3765 Soluble
44 Q D 0.0000 Buried
45 K D -1.3374 Soluble
46 P D -1.2982 Soluble
47 G D -1.4189 Soluble
48 Q D -1.8875 Soluble
49 A D -1.1083 Soluble
50 P D 0.0000 Buried
52 L D -0.1908 Soluble
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.3643 Aggregation-prone
56 G D 0.4047 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.6672 Soluble
66 S D -0.5064 Soluble
67 R D -1.5862 Soluble
68 A D -0.8657 Soluble
69 T D -0.5621 Soluble
70 G D -0.7348 Soluble
71 I D -0.6971 Soluble
72 P D -1.2086 Soluble
74 D D -2.1780 Soluble
75 R D -2.0214 Soluble
76 F D 0.0000 Buried
77 S D -0.9370 Soluble
78 G D -0.5457 Soluble
79 S D -0.7558 Soluble
80 G D -1.2273 Soluble
83 S D -1.1882 Soluble
84 G D -1.2748 Soluble
85 T D -1.8778 Soluble
86 D D -2.6241 Soluble
87 F D 0.0000 Buried
88 T D -0.9115 Soluble
89 L D 0.0000 Buried
90 T D -0.8085 Soluble
91 I D 0.0000 Buried
92 S D -2.4062 Soluble
93 R D -3.4208 Soluble
94 L D 0.0000 Buried
95 E D -2.2990 Soluble
96 P D -1.6565 Soluble
97 E D -1.9817 Soluble
98 D D 0.0000 Buried
99 F D -0.6777 Soluble
100 A D 0.0000 Buried
101 V D -0.3779 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 Q D 0.0000 Buried
106 Q D 0.0000 Buried
107 H D 0.0000 Buried
108 D D -1.2702 Soluble
114 T D -1.1017 Soluble
115 S D -0.9122 Soluble
116 L D 0.0000 Buried
117 T D -0.0803 Soluble
118 F D 0.2736 Aggregation-prone
119 G D 0.0000 Buried
120 G D -0.7600 Soluble
121 G D -0.8016 Soluble
122 T D 0.0000 Buried
123 K D -0.8795 Soluble
124 V D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.7314 Soluble
127 K D -1.3838 Soluble
128 R D -0.9952 Soluble
129 T D -0.0728 Soluble
130 V D 0.6097 Aggregation-prone
131 A D 0.1824 Aggregation-prone
132 A D -0.0845 Soluble
133 P D 0.0000 Buried
134 S D -0.0977 Soluble
135 V D 0.0000 Buried
136 F D 0.0734 Aggregation-prone
137 I D 0.0397 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.4100 Soluble
140 P D 0.0000 Buried
141 S D -1.5259 Soluble
142 D D -2.6459 Soluble
143 E D -2.4337 Soluble
144 Q D 0.0000 Buried
145 L D -2.1919 Soluble
146 K D -2.7317 Soluble
147 S D -1.7624 Soluble
148 G D -1.4554 Soluble
149 T D -1.2418 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.7244 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.1968 Soluble
162 R D -1.9936 Soluble
163 E D -2.6862 Soluble
164 A D -2.0798 Soluble
165 K D -2.4305 Soluble
166 V D -1.3724 Soluble
167 Q D -0.8355 Soluble
168 W D 0.0000 Buried
169 K D -0.7610 Soluble
170 V D 0.0000 Buried
171 D D -2.0207 Soluble
172 N D -1.6444 Soluble
173 A D -0.4330 Soluble
174 L D 0.4022 Aggregation-prone
175 Q D -0.2318 Soluble
176 S D -0.5336 Soluble
177 G D -0.8778 Soluble
178 N D -0.7798 Soluble
179 S D -1.1050 Soluble
180 Q D -1.3969 Soluble
181 E D -1.7015 Soluble
182 S D -0.8298 Soluble
183 V D -0.4654 Soluble
184 T D -0.9991 Soluble
185 E D -2.1336 Soluble
186 Q D -1.7093 Soluble
187 D D -1.9199 Soluble
188 S D -1.6991 Soluble
189 K D -2.1796 Soluble
190 D D -1.5588 Soluble
191 S D 0.0000 Buried
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6246 Soluble
199 L D 0.0000 Buried
200 T D -0.4336 Soluble
201 L D -0.7282 Soluble
202 S D -1.3459 Soluble
203 K D -2.1915 Soluble
204 A D -2.0333 Soluble
205 D D -2.7452 Soluble
206 Y D 0.0000 Buried
207 E D -3.7674 Soluble
208 K D -3.7694 Soluble
209 H D -2.9955 Soluble
210 K D -3.2114 Soluble
211 V D -1.3229 Soluble
212 Y D 0.0000 Buried
213 A D -0.6930 Soluble
214 C D 0.0000 Buried
215 E D -0.9750 Soluble
216 V D 0.0000 Buried
217 T D -1.2664 Soluble
218 H D 0.0000 Buried
219 Q D -1.6259 Soluble
220 G D -0.3852 Soluble
221 L D -0.2063 Soluble
222 S D -0.4221 Soluble
223 S D -0.3749 Soluble
224 P D -0.5489 Soluble
225 V D 0.0607 Aggregation-prone
226 T D -0.4273 Soluble
227 K D -0.6120 Soluble
228 S D -0.4238 Soluble
229 F D 0.0000 Buried
230 N D -1.6267 Soluble
231 R D -2.2866 Soluble
232 G D -2.0189 Soluble
233 E D -2.1507 Soluble
234 C D -1.0660 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
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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
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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 -0.6912 5.2611 CSV PDB
4.5 -0.7344 5.1652 CSV PDB
5.0 -0.7845 5.0374 CSV PDB
5.5 -0.8322 4.9213 CSV PDB
6.0 -0.8667 4.8594 CSV PDB
6.5 -0.8792 4.8131 CSV PDB
7.0 -0.8688 4.7873 CSV PDB
7.5 -0.8428 4.7765 CSV PDB
8.0 -0.8078 4.7727 CSV PDB
8.5 -0.7661 4.7713 CSV PDB
9.0 -0.7181 4.7704 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH