Sotrovimab / 6ws6

A4DAB245_6ws6_C_D | Source PDB: 6ws6 | Chains: C, D | Done
99.57
Yes
10 Å
Yes
Avg A4D Score
-0.6972
Max Score
2.0109
Min Score
-3.6166
Total Score
-287.96
Score CDR
-0.1321
Score non-CDR
-0.7822

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYPFTSYGISWVRQAPGQGLEWMGWISTYNGNTNYAQKFQGRVTMTTDTSTTTGYMELRRLRSDDTAVYYCARDYTRGAWFGESLIGGFDNWGQGTLVTVSSASTKGPSVFPLAPLGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTPSSSLGTQTYICNVNHKPSNTKVDKKEIVLTQSPGTLSLSPGERATLSCRASQTVSSTSLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQHDTSLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKCEVTHQGSSPVTKS 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 -3.6166
Maximum Score 2.0109
Average Score -0.6972
Total Score -287.956

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

Index Residue Chain A4D Score Classification
1 Q C -1.3947 Soluble
2 V C -1.0631 Soluble
3 Q C -1.5120 Soluble
4 L C 0.0000 Buried
5 V C 0.1619 Aggregation-prone
6 Q C 0.0000 Buried
7 S C -0.5600 Soluble
8 G C -0.6286 Soluble
9 A C -0.3143 Soluble
11 E C -0.8177 Soluble
12 V C -0.2184 Soluble
13 K C -1.5377 Soluble
14 K C -2.5373 Soluble
15 P C -2.4996 Soluble
16 G C -2.0616 Soluble
17 A C -1.7270 Soluble
18 S C -1.8669 Soluble
19 V C 0.0000 Buried
20 K C -1.7451 Soluble
21 V C 0.0000 Buried
22 S C -0.3983 Soluble
23 C C 0.0000 Buried
24 K C -0.9036 Soluble
25 A C 0.0000 Buried
26 S C -0.8291 Soluble
27 G C -0.8293 Soluble
28 Y C -0.3812 Soluble
29 P C -0.1866 Soluble
30 F C 0.0000 Buried
35 T C 0.2396 Aggregation-prone
36 S C 0.5198 Aggregation-prone
37 Y C 0.6015 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 0.0000 Buried
44 Q C -0.5307 Soluble
45 A C -0.9625 Soluble
46 P C -0.7856 Soluble
47 G C -1.2166 Soluble
48 Q C -1.7021 Soluble
49 G C -1.0678 Soluble
50 L C 0.0000 Buried
51 E C -0.5174 Soluble
52 W C -0.2159 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 0.6685 Aggregation-prone
62 N C -0.8703 Soluble
63 G C -1.3815 Soluble
64 N C -1.6747 Soluble
65 T C -1.4767 Soluble
66 N C -1.6989 Soluble
67 Y C -1.3092 Soluble
68 A C -1.6994 Soluble
69 Q C -2.5871 Soluble
70 K C -2.6666 Soluble
71 F C 0.0000 Buried
72 Q C -2.4806 Soluble
74 G C -1.8183 Soluble
75 R C -1.7321 Soluble
76 V C 0.0000 Buried
77 T C -0.6363 Soluble
78 M C 0.0000 Buried
79 T C -0.4611 Soluble
80 T C -0.6084 Soluble
81 D C -1.0427 Soluble
82 T C -0.4560 Soluble
83 S C -0.5710 Soluble
84 T C -0.6896 Soluble
85 T C -0.7577 Soluble
86 T C 0.0000 Buried
87 G C 0.0000 Buried
88 Y C -0.3257 Soluble
89 M C 0.0000 Buried
90 E C -1.0790 Soluble
91 L C 0.0000 Buried
92 R C -2.1740 Soluble
93 R C -2.9369 Soluble
94 L C 0.0000 Buried
95 R C -3.4497 Soluble
96 S C -2.3820 Soluble
97 D C -2.4862 Soluble
98 D C 0.0000 Buried
99 T C -0.8646 Soluble
100 A C 0.0000 Buried
101 V C 0.2921 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 -0.3312 Soluble
107 D C 0.0000 Buried
108 Y C 0.8773 Aggregation-prone
109 T C 0.0000 Buried
110 R C 0.0079 Aggregation-prone
111 G C 0.0000 Buried
111A A C 0.0000 Buried
111B W C 1.3715 Aggregation-prone
111C F C 1.6628 Aggregation-prone
112D G C -0.0410 Soluble
112C E C -0.4614 Soluble
112B S C -0.1372 Soluble
112A L C 0.7500 Aggregation-prone
112 I C 2.0109 Aggregation-prone
113 G C 0.0000 Buried
114 G C 0.0000 Buried
115 F C 0.0000 Buried
116 D C -0.7738 Soluble
117 N C -1.0354 Soluble
118 W C 0.0000 Buried
119 G C 0.0000 Buried
120 Q C -1.2870 Soluble
121 G C -0.5590 Soluble
122 T C 0.0000 Buried
123 L C 0.0483 Aggregation-prone
124 V C 0.0000 Buried
125 T C 0.0000 Buried
126 V C 0.0000 Buried
127 S C -1.4291 Soluble
128 S C -1.2592 Soluble
129 A C -0.7510 Soluble
130 S C -0.8301 Soluble
131 T C -0.7911 Soluble
132 K C -1.7707 Soluble
133 G C -1.7561 Soluble
134 P C -0.8246 Soluble
135 S C -0.6746 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -0.9269 Soluble
139 L C 0.0000 Buried
140 A C -0.1535 Soluble
141 P C 0.1756 Aggregation-prone
142 L C 0.5811 Aggregation-prone
143 G C 0.0000 Buried
144 C C 0.0000 Buried
145 L C 0.0000 Buried
146 V C 0.0000 Buried
147 K C 0.0000 Buried
148 D C -0.8937 Soluble
149 Y C 0.0000 Buried
150 F C 0.0000 Buried
151 P C 0.0000 Buried
152 E C -0.5915 Soluble
153 P C -0.7420 Soluble
154 V C -0.7234 Soluble
155 T C -0.6157 Soluble
156 V C -0.2748 Soluble
157 S C -0.4640 Soluble
158 W C 0.0000 Buried
159 N C -0.8500 Soluble
160 S C -0.7024 Soluble
161 G C -0.4973 Soluble
162 A C -0.1965 Soluble
163 L C 0.0490 Aggregation-prone
164 T C -0.1519 Soluble
165 S C -0.1587 Soluble
166 G C -0.2325 Soluble
167 V C 0.2003 Aggregation-prone
168 H C -0.3597 Soluble
169 T C -0.1914 Soluble
170 F C 0.0000 Buried
171 P C -0.3906 Soluble
172 A C 0.0138 Aggregation-prone
173 V C 0.3444 Aggregation-prone
174 L C 0.8977 Aggregation-prone
175 Q C 0.0348 Aggregation-prone
176 S C -0.1738 Soluble
177 S C -0.3396 Soluble
178 G C -0.1346 Soluble
179 L C 0.0000 Buried
180 Y C 0.0000 Buried
181 S C 0.0000 Buried
182 L C 0.0000 Buried
183 S C 0.0000 Buried
184 S C 0.0000 Buried
185 V C 0.0000 Buried
186 V C 0.0000 Buried
187 T C -0.0984 Soluble
188 P C -0.2997 Soluble
189 S C -0.1864 Soluble
190 S C -0.2695 Soluble
191 S C -0.1480 Soluble
192 L C 0.5533 Aggregation-prone
193 G C -0.2624 Soluble
194 T C -0.4414 Soluble
195 Q C -0.8057 Soluble
196 T C -0.5320 Soluble
197 Y C -0.2196 Soluble
198 I C -1.1626 Soluble
199 C C 0.0000 Buried
200 N C -1.4441 Soluble
201 V C 0.0000 Buried
202 N C -1.8801 Soluble
203 H C 0.0000 Buried
204 K C -2.7499 Soluble
205 P C -1.5813 Soluble
206 S C -2.0134 Soluble
207 N C -2.4937 Soluble
208 T C -2.0234 Soluble
209 K C -2.3883 Soluble
210 V C -0.8453 Soluble
211 D C -2.3615 Soluble
212 K C -2.0909 Soluble
213 K C -2.2873 Soluble
1 E D -1.6509 Soluble
2 I D 0.0000 Buried
3 V D 0.5993 Aggregation-prone
4 L D 0.0000 Buried
5 T D -0.6516 Soluble
6 Q D 0.0000 Buried
7 S D -0.7428 Soluble
8 P D -0.7388 Soluble
9 G D -1.0693 Soluble
10 T D -0.8313 Soluble
11 L D -0.5040 Soluble
12 S D -0.6333 Soluble
13 L D -0.8371 Soluble
14 S D -1.4933 Soluble
15 P D -1.9275 Soluble
16 G D -2.2860 Soluble
17 E D -2.9413 Soluble
18 R D -3.1784 Soluble
19 A D 0.0000 Buried
20 T D -0.5131 Soluble
21 L D 0.0000 Buried
22 S D -0.9746 Soluble
23 C D 0.0000 Buried
24 R D -2.1523 Soluble
25 A D 0.0000 Buried
26 S D -0.9876 Soluble
27 Q D -1.6773 Soluble
28 T D -1.3235 Soluble
29 V D 0.0000 Buried
30 S D -0.3087 Soluble
36 S D -0.2168 Soluble
37 T D 0.3430 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 0.0000 Buried
44 Q D 0.0000 Buried
45 K D -1.8531 Soluble
46 P D -1.4944 Soluble
47 G D -1.4278 Soluble
48 Q D -1.9847 Soluble
49 A D -1.4066 Soluble
50 P D 0.0000 Buried
51 R D -1.6036 Soluble
52 L D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.2441 Aggregation-prone
56 G D 0.3114 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.6044 Soluble
66 S D -0.4784 Soluble
67 R D -1.5122 Soluble
68 A D -0.8604 Soluble
69 T D -0.6025 Soluble
70 G D -0.8996 Soluble
71 I D 0.0000 Buried
72 P D -1.3139 Soluble
74 D D -2.3817 Soluble
75 R D -2.0637 Soluble
76 F D 0.0000 Buried
77 S D -0.8815 Soluble
78 G D -0.4882 Soluble
79 S D -0.7426 Soluble
80 G D -1.1904 Soluble
83 S D -0.9445 Soluble
84 G D -1.2220 Soluble
85 T D -1.8753 Soluble
86 D D -2.6740 Soluble
87 F D 0.0000 Buried
88 T D -0.8438 Soluble
89 L D 0.0000 Buried
90 T D -0.7954 Soluble
91 I D 0.0000 Buried
92 S D -2.4477 Soluble
93 R D -3.5644 Soluble
94 L D 0.0000 Buried
95 E D -2.2620 Soluble
96 P D -1.5631 Soluble
97 E D -2.2686 Soluble
98 D D 0.0000 Buried
99 F D -0.8992 Soluble
100 A D 0.0000 Buried
101 V D 0.0000 Buried
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 -1.0105 Soluble
114 T D -0.7860 Soluble
115 S D -0.9776 Soluble
116 L D 0.0000 Buried
117 T D -0.0123 Soluble
118 F D 0.2431 Aggregation-prone
119 G D -0.1986 Soluble
120 G D -0.7852 Soluble
121 G D -0.9779 Soluble
122 T D 0.0000 Buried
123 K D -1.6811 Soluble
124 V D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.9687 Soluble
127 K D -1.3877 Soluble
128 R D -0.9283 Soluble
129 T D -0.0133 Soluble
130 V D 0.5701 Aggregation-prone
131 A D 0.0317 Aggregation-prone
132 A D -0.2499 Soluble
133 P D -0.2112 Soluble
134 S D -0.0529 Soluble
135 V D 0.2021 Aggregation-prone
136 F D 0.7243 Aggregation-prone
137 I D 0.5518 Aggregation-prone
138 F D 0.0000 Buried
139 P D -0.3564 Soluble
140 P D -0.6683 Soluble
141 S D -1.5927 Soluble
142 D D -2.9232 Soluble
143 E D -2.9076 Soluble
144 Q D 0.0000 Buried
145 L D -2.0763 Soluble
146 K D -2.8814 Soluble
147 S D -1.8226 Soluble
148 G D -1.2309 Soluble
149 T D -1.1850 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.2350 Aggregation-prone
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 -0.3458 Soluble
158 N D -1.0532 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.7555 Soluble
162 R D -2.9473 Soluble
163 E D -2.8878 Soluble
164 A D -1.6333 Soluble
165 W D -0.4364 Soluble
166 K D -1.0802 Soluble
167 V D -0.9552 Soluble
168 D D -1.9754 Soluble
169 N D -1.5779 Soluble
170 A D -0.4287 Soluble
171 L D 0.5227 Aggregation-prone
172 Q D -0.1837 Soluble
173 S D -0.4131 Soluble
174 G D -0.7246 Soluble
175 N D -0.7831 Soluble
176 S D -0.9975 Soluble
177 Q D -1.2921 Soluble
178 E D -1.9304 Soluble
179 S D -0.8170 Soluble
180 V D -0.7944 Soluble
181 T D -1.1435 Soluble
182 E D -2.3198 Soluble
183 Q D -2.0317 Soluble
184 D D -2.1920 Soluble
185 S D -1.8871 Soluble
186 K D -2.4685 Soluble
187 D D -2.0464 Soluble
188 S D -1.9091 Soluble
189 T D 0.0000 Buried
190 Y D -1.5378 Soluble
191 S D 0.0000 Buried
192 L D 0.0000 Buried
193 S D 0.0000 Buried
194 S D 0.0000 Buried
195 T D -0.5803 Soluble
196 L D 0.0000 Buried
197 T D -0.1883 Soluble
198 L D -0.4887 Soluble
199 S D -1.0056 Soluble
200 K D -2.0910 Soluble
201 A D -1.8827 Soluble
202 D D -2.5591 Soluble
203 Y D -2.3807 Soluble
204 E D -3.5870 Soluble
205 K D -3.6166 Soluble
206 H D -3.0709 Soluble
207 K D -2.8044 Soluble
208 C D -0.6351 Soluble
209 E D -1.3194 Soluble
210 V D 0.0000 Buried
211 T D -0.9821 Soluble
212 H D -1.4377 Soluble
213 Q D -1.5142 Soluble
214 G D -0.7148 Soluble
215 S D -0.6369 Soluble
216 S D -0.5042 Soluble
217 P D -0.6345 Soluble
218 V D -0.1415 Soluble
219 T D -0.6853 Soluble
220 K D -0.7573 Soluble
221 S D -0.7662 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 -0.6422 4.9765 CSV PDB
4.5 -0.6881 4.9206 CSV PDB
5.0 -0.74 4.8514 CSV PDB
5.5 -0.7875 4.7801 CSV PDB
6.0 -0.8196 4.7179 CSV PDB
6.5 -0.8297 4.675 CSV PDB
7.0 -0.8189 4.6533 CSV PDB
7.5 -0.7942 4.6448 CSV PDB
8.0 -0.7613 4.6418 CSV PDB
8.5 -0.7215 4.6408 CSV PDB
9.0 -0.6745 4.6402 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH