Sotrovimab / 8dw2

A4DAB245_8dw2_D_C | Source PDB: 8dw2 | Chains: D, C | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.7365
Max Score
1.6656
Min Score
-3.8227
Total Score
-324.79
Score CDR
-0.2226
Score non-CDR
-0.8082

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) D (Heavy), C (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 -3.8227
Maximum Score 1.6656
Average Score -0.7365
Total Score -324.7949

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

Index Residue Chain A4D Score Classification
1 Q D -1.5136 Soluble
2 V D -1.2067 Soluble
3 Q D -1.8131 Soluble
4 L D -1.2325 Soluble
5 V D -0.7466 Soluble
6 Q D 0.0000 Buried
7 S D -0.8248 Soluble
8 G D -0.6476 Soluble
9 A D 0.0600 Aggregation-prone
11 E D -0.1822 Soluble
12 V D 0.7058 Aggregation-prone
13 K D -1.0033 Soluble
14 K D -2.0165 Soluble
15 P D -2.5024 Soluble
16 G D -2.1645 Soluble
17 A D -1.6874 Soluble
18 S D -1.9590 Soluble
19 V D 0.0000 Buried
20 K D -2.0357 Soluble
21 V D 0.0000 Buried
22 S D -0.6807 Soluble
23 C D 0.0000 Buried
24 K D -1.5091 Soluble
25 A D 0.0000 Buried
26 S D -1.1499 Soluble
27 G D -0.9676 Soluble
28 Y D -0.4549 Soluble
29 P D -0.2539 Soluble
30 F D 0.0000 Buried
35 T D 0.3138 Aggregation-prone
36 S D 0.3545 Aggregation-prone
37 Y D 0.6306 Aggregation-prone
38 G D 0.0000 Buried
39 I D 0.0000 Buried
40 S D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D -0.4733 Soluble
44 Q D -0.7861 Soluble
45 A D -1.0055 Soluble
46 P D -0.8207 Soluble
47 G D -1.2316 Soluble
48 Q D -1.7745 Soluble
49 G D -1.2327 Soluble
50 L D 0.0000 Buried
51 E D -0.8674 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 W D 0.0000 Buried
56 I D 0.0000 Buried
57 S D 0.0000 Buried
58 T D 0.0000 Buried
59 Y D 0.7727 Aggregation-prone
62 N D -0.8062 Soluble
63 G D -1.4131 Soluble
64 N D -1.7087 Soluble
65 T D -1.5888 Soluble
66 N D -1.6464 Soluble
67 Y D -1.0238 Soluble
68 A D 0.0000 Buried
69 Q D -2.3126 Soluble
70 K D -2.4969 Soluble
71 F D -1.5787 Soluble
72 Q D -1.9597 Soluble
74 G D -1.5375 Soluble
75 R D -1.6945 Soluble
76 V D 0.0000 Buried
77 T D -0.6385 Soluble
78 M D 0.0000 Buried
79 T D -0.2262 Soluble
80 T D -0.2102 Soluble
81 D D -0.5961 Soluble
82 T D -0.3152 Soluble
83 S D -0.4679 Soluble
84 T D -0.6267 Soluble
85 T D -0.7673 Soluble
86 T D 0.0000 Buried
87 G D 0.0000 Buried
88 Y D -0.4090 Soluble
89 M D 0.0000 Buried
90 E D -1.4001 Soluble
91 L D -1.3884 Soluble
92 R D -2.3067 Soluble
93 R D -2.8993 Soluble
94 L D 0.0000 Buried
95 R D -3.5763 Soluble
96 S D -2.5086 Soluble
97 D D -2.6161 Soluble
98 D D -1.8695 Soluble
99 T D -0.8164 Soluble
100 A D 0.0000 Buried
101 V D 0.3256 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 R D -0.1993 Soluble
107 D D 0.0000 Buried
108 Y D 1.0181 Aggregation-prone
109 T D 0.0000 Buried
110 R D -0.2797 Soluble
111 G D 0.2164 Aggregation-prone
111A A D 0.0000 Buried
111B W D 1.3386 Aggregation-prone
111C F D 1.4678 Aggregation-prone
112D G D -0.6217 Soluble
112C E D -1.4557 Soluble
112B S D -0.5869 Soluble
112A L D 0.5701 Aggregation-prone
112 I D 1.6656 Aggregation-prone
113 G D 0.0000 Buried
114 G D 0.0000 Buried
115 F D 0.0000 Buried
116 D D -0.9197 Soluble
117 N D -1.4263 Soluble
118 W D 0.0000 Buried
119 G D -1.3620 Soluble
120 Q D -1.6037 Soluble
121 G D -0.7805 Soluble
122 T D 0.0000 Buried
123 L D 0.5275 Aggregation-prone
124 V D 0.0000 Buried
125 T D 0.0000 Buried
126 V D 0.0000 Buried
127 S D -1.1924 Soluble
128 S D -0.8641 Soluble
129 A D -0.7017 Soluble
130 S D -0.8407 Soluble
131 T D -0.9312 Soluble
132 K D -1.5844 Soluble
133 G D -1.6369 Soluble
134 P D -0.8862 Soluble
135 S D -0.4322 Soluble
136 V D -0.2568 Soluble
137 F D 0.0000 Buried
138 P D -0.6589 Soluble
139 L D 0.0000 Buried
140 A D 0.0000 Buried
141 P D 0.0000 Buried
142 S D -1.1856 Soluble
143 S D -1.8624 Soluble
144 K D -2.1134 Soluble
145 S D -1.3358 Soluble
146 T D -0.9650 Soluble
147 S D -0.9319 Soluble
148 G D -0.8373 Soluble
149 G D -0.8460 Soluble
150 T D -0.5612 Soluble
151 A D 0.0000 Buried
152 A D 0.0606 Aggregation-prone
153 L D 0.0000 Buried
154 G D 0.0000 Buried
155 C D 0.0000 Buried
156 L D 0.1869 Aggregation-prone
157 V D 0.0000 Buried
158 K D -0.5885 Soluble
159 D D -1.2924 Soluble
160 Y D 0.0000 Buried
161 F D 0.0000 Buried
162 P D 0.0000 Buried
163 E D -0.9065 Soluble
164 P D -0.8397 Soluble
165 V D -0.6655 Soluble
166 T D -0.5958 Soluble
167 V D -0.1076 Soluble
168 S D -0.2318 Soluble
169 W D 0.0000 Buried
170 N D -0.7009 Soluble
171 S D -0.4031 Soluble
172 G D -0.4808 Soluble
173 A D -0.1320 Soluble
174 L D 0.1486 Aggregation-prone
175 T D 0.0240 Aggregation-prone
176 S D -0.2296 Soluble
177 G D -0.1964 Soluble
178 V D 0.7502 Aggregation-prone
179 H D 0.0351 Aggregation-prone
180 T D 0.2045 Aggregation-prone
181 F D 0.0000 Buried
182 P D -0.1091 Soluble
183 A D 0.4182 Aggregation-prone
184 V D 0.8220 Aggregation-prone
185 L D 1.3160 Aggregation-prone
186 Q D 0.0898 Aggregation-prone
187 S D -0.3042 Soluble
188 S D -0.3128 Soluble
189 G D -0.0819 Soluble
190 L D -0.0977 Soluble
191 Y D 0.1564 Aggregation-prone
192 S D 0.0000 Buried
193 L D 0.2099 Aggregation-prone
194 S D 0.0893 Aggregation-prone
195 S D 0.0000 Buried
196 V D 0.0000 Buried
197 V D 0.0000 Buried
198 T D -0.0935 Soluble
199 V D 0.0000 Buried
200 P D -0.5413 Soluble
201 S D -0.6044 Soluble
202 S D -0.5558 Soluble
203 S D -0.4993 Soluble
204 L D -0.7792 Soluble
205 G D -1.1027 Soluble
206 T D -0.6524 Soluble
207 Q D -1.0238 Soluble
208 T D -1.0668 Soluble
209 Y D -0.7191 Soluble
210 I D -1.2844 Soluble
211 C D 0.0000 Buried
212 N D -1.6685 Soluble
213 V D 0.0000 Buried
214 N D -2.0906 Soluble
215 H D 0.0000 Buried
216 K D -2.8815 Soluble
217 P D -1.7544 Soluble
218 S D -1.9550 Soluble
219 N D -2.6832 Soluble
220 T D -2.1544 Soluble
221 K D -2.7438 Soluble
222 V D -1.6447 Soluble
223 D D -2.7653 Soluble
224 K D -2.4924 Soluble
225 K D -2.7655 Soluble
226 V D 0.0000 Buried
227 E D -2.8355 Soluble
228 P D -1.9122 Soluble
229 K D -2.5425 Soluble
1 E C -1.5665 Soluble
2 I C 0.0000 Buried
3 V C 0.8311 Aggregation-prone
4 L C 0.0000 Buried
5 T C -0.4747 Soluble
6 Q C 0.0000 Buried
7 S C -0.8603 Soluble
8 P C -0.7129 Soluble
9 G C -0.8088 Soluble
10 T C -0.3685 Soluble
11 L C 0.0172 Aggregation-prone
12 S C -0.2547 Soluble
13 L C -0.7618 Soluble
14 S C -1.3532 Soluble
15 P C -1.7389 Soluble
16 G C -2.0123 Soluble
17 E C -2.7829 Soluble
18 R C -3.0094 Soluble
19 A C 0.0000 Buried
20 T C -0.5475 Soluble
21 L C 0.0000 Buried
22 S C -1.0191 Soluble
23 C C 0.0000 Buried
24 R C -2.2520 Soluble
25 A C -1.0406 Soluble
26 S C -1.0329 Soluble
27 Q C -1.4739 Soluble
28 T C -1.2322 Soluble
29 V C -0.7501 Soluble
30 S C -0.3813 Soluble
36 S C -0.5360 Soluble
37 T C 0.1331 Aggregation-prone
38 S C 0.0772 Aggregation-prone
39 L C 0.0000 Buried
40 A C 0.0000 Buried
41 W C 0.0000 Buried
42 Y C 0.0000 Buried
43 Q C -0.8786 Soluble
44 Q C 0.0000 Buried
45 K C -1.6796 Soluble
46 P C -1.3045 Soluble
47 G C -1.4759 Soluble
48 Q C -2.2224 Soluble
49 A C -1.7769 Soluble
50 P C 0.0000 Buried
51 R C -2.2948 Soluble
52 L C -1.0348 Soluble
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C 0.3822 Aggregation-prone
56 G C 0.0000 Buried
57 A C 0.0000 Buried
65 S C -0.4940 Soluble
66 S C -0.2784 Soluble
67 R C -0.8489 Soluble
68 A C -0.3263 Soluble
69 T C -0.3697 Soluble
70 G C -0.6905 Soluble
71 I C -0.6349 Soluble
72 P C -1.2083 Soluble
74 D C -2.2315 Soluble
75 R C -1.8203 Soluble
76 F C 0.0000 Buried
77 S C -0.8500 Soluble
78 G C -0.4665 Soluble
79 S C -0.7998 Soluble
80 G C -1.1462 Soluble
83 S C -1.0646 Soluble
84 G C -1.2717 Soluble
85 T C -1.8084 Soluble
86 D C -2.4832 Soluble
87 F C 0.0000 Buried
88 T C -0.8905 Soluble
89 L C 0.0000 Buried
90 T C -0.7545 Soluble
91 I C 0.0000 Buried
92 S C -2.1161 Soluble
93 R C -2.6684 Soluble
94 L C 0.0000 Buried
95 E C -2.5450 Soluble
96 P C -1.6673 Soluble
97 E C -2.3855 Soluble
98 D C -1.5400 Soluble
99 F C -0.7345 Soluble
100 A C 0.0000 Buried
101 V C -0.0726 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 Q C 0.0000 Buried
106 Q C 0.0000 Buried
107 H C 0.0000 Buried
108 D C -0.8599 Soluble
114 T C -0.7869 Soluble
115 S C -0.7706 Soluble
116 L C -0.4045 Soluble
117 T C -0.2095 Soluble
118 F C 0.0000 Buried
119 G C -0.4004 Soluble
120 G C -0.8835 Soluble
121 G C -0.7129 Soluble
122 T C 0.0000 Buried
123 K C -0.3793 Soluble
124 V C 0.0000 Buried
125 E C 0.0000 Buried
126 I C -0.7319 Soluble
127 K C -1.6632 Soluble
128 R C -1.3805 Soluble
129 T C 0.0339 Aggregation-prone
130 V C 1.0668 Aggregation-prone
131 A C 0.0000 Buried
132 A C -0.0315 Soluble
133 P C -0.2596 Soluble
134 S C -0.2118 Soluble
135 V C 0.4965 Aggregation-prone
136 F C 0.5847 Aggregation-prone
137 I C 0.4836 Aggregation-prone
138 F C 0.4416 Aggregation-prone
139 P C -0.3412 Soluble
140 P C -0.6036 Soluble
141 S C -1.2262 Soluble
142 D C -2.3528 Soluble
143 E C -1.8234 Soluble
144 Q C 0.0000 Buried
145 L C -1.5577 Soluble
146 K C -2.3208 Soluble
147 S C -1.4620 Soluble
148 G C -0.9428 Soluble
149 T C -0.9197 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.2105 Aggregation-prone
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C -0.6504 Soluble
158 N C -1.3621 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.8155 Soluble
162 R C -2.6943 Soluble
163 E C -3.0657 Soluble
164 A C -2.0390 Soluble
165 K C -1.6983 Soluble
166 V C -0.5363 Soluble
167 Q C -0.3835 Soluble
168 W C 0.0000 Buried
169 K C -0.5962 Soluble
170 V C -0.8724 Soluble
171 D C -1.5783 Soluble
172 N C -1.3927 Soluble
173 A C -0.3948 Soluble
174 L C 0.3995 Aggregation-prone
175 Q C -0.8694 Soluble
176 S C -0.7535 Soluble
177 G C -1.0146 Soluble
178 N C -0.8332 Soluble
179 S C -0.9432 Soluble
180 Q C -0.7774 Soluble
181 E C -0.8925 Soluble
182 S C 0.0000 Buried
183 V C -0.3035 Soluble
184 T C -1.0113 Soluble
185 E C -2.2109 Soluble
186 Q C -2.0022 Soluble
187 D C -2.5329 Soluble
188 S C -2.1292 Soluble
189 K C -2.9702 Soluble
190 D C -3.1202 Soluble
191 S C -2.4834 Soluble
192 T C -2.0765 Soluble
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C -0.1055 Soluble
197 S C 0.0000 Buried
198 T C -0.3112 Soluble
199 L C 0.0000 Buried
200 T C -0.1882 Soluble
201 L C -0.5204 Soluble
202 S C -1.0927 Soluble
203 K C -1.7340 Soluble
204 A C -1.8458 Soluble
205 D C -2.9524 Soluble
206 Y C 0.0000 Buried
207 E C -3.8227 Soluble
208 K C -3.8116 Soluble
209 H C -3.4094 Soluble
210 K C -3.4765 Soluble
211 V C -2.1732 Soluble
212 Y C 0.0000 Buried
213 A C 0.0000 Buried
214 C C 0.0000 Buried
215 E C -0.2854 Soluble
216 V C 0.0000 Buried
217 T C -0.5550 Soluble
218 H C 0.0000 Buried
219 Q C -1.4790 Soluble
220 G C -0.5758 Soluble
221 L C -0.0843 Soluble
222 S C -0.3975 Soluble
223 S C -0.2220 Soluble
224 P C -0.0335 Soluble
225 V C 0.9964 Aggregation-prone
226 T C 0.0336 Aggregation-prone
227 K C -0.5474 Soluble
228 S C -1.0555 Soluble
229 F C 0.0000 Buried
230 N C -2.7581 Soluble
231 R C -3.4756 Soluble
232 G C -2.5489 Soluble
233 E C -2.8571 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 -0.6926 4.9887 CSV PDB
4.5 -0.738 4.8944 CSV PDB
5.0 -0.7913 4.7806 CSV PDB
5.5 -0.842 4.6655 CSV PDB
6.0 -0.8783 4.5674 CSV PDB
6.5 -0.8917 4.5022 CSV PDB
7.0 -0.8822 4.4702 CSV PDB
7.5 -0.8578 4.4579 CSV PDB
8.0 -0.8253 4.4537 CSV PDB
8.5 -0.7864 4.452 CSV PDB
9.0 -0.7404 4.4507 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH