Clesrovimab / 6ous

A4DAB067_6ous_Q_R | Source PDB: 6ous | Chains: Q, R | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7804
Max Score
0.5555
Min Score
-3.4886
Total Score
-344.92
Score CDR
-0.7974
Score non-CDR
-0.778

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVRPGRSLRLSCTVSGFSFDDSAMSWVRQAPGKGLEWISFIKSKTYGGTKEYAASVKGRFTISRDDSKNIAYLQMNSLKTEDTAVYYCTRGAPYGGNSDYYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRTSQDVRGALAWYQQKPGKAPKLLIFDASSLETGVPSRFSGSGSGTVFTLTISSLQPEDFAAYYCQQFLDFPFTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) Q (Heavy), R (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 -3.4886
Maximum Score 0.5555
Average Score -0.7804
Total Score -344.9161

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

Index Residue Chain A4D Score Classification
1 E Q -1.5603 Soluble
2 V Q -0.1866 Soluble
3 Q Q -0.8135 Soluble
4 L Q 0.0000 Buried
5 V Q 0.0875 Aggregation-prone
6 E Q 0.0000 Buried
7 S Q -0.5373 Soluble
8 G Q -0.8624 Soluble
9 G Q -0.5796 Soluble
11 G Q 0.0717 Aggregation-prone
12 L Q 0.4519 Aggregation-prone
13 V Q 0.0000 Buried
14 R Q -1.9845 Soluble
15 P Q -2.1564 Soluble
16 G Q -2.2647 Soluble
17 R Q -2.8456 Soluble
18 S Q -2.0699 Soluble
19 L Q -1.5987 Soluble
20 R Q -2.1845 Soluble
21 L Q 0.0000 Buried
22 S Q -0.5401 Soluble
23 C Q 0.0000 Buried
24 T Q -0.3495 Soluble
25 V Q 0.0000 Buried
26 S Q -0.4844 Soluble
27 G Q -0.5711 Soluble
28 F Q -0.4711 Soluble
29 S Q -1.0894 Soluble
30 F Q 0.0000 Buried
35 D Q -3.0341 Soluble
36 D Q -2.7241 Soluble
37 S Q -1.7100 Soluble
38 A Q 0.0000 Buried
39 M Q 0.0000 Buried
40 S Q 0.0000 Buried
41 W Q 0.0000 Buried
42 V Q 0.0000 Buried
43 R Q 0.0000 Buried
44 Q Q -0.9093 Soluble
45 A Q -1.2875 Soluble
46 P Q -1.2310 Soluble
47 G Q -1.5012 Soluble
48 K Q -2.3732 Soluble
49 G Q -1.6485 Soluble
50 L Q 0.0000 Buried
51 E Q -1.1640 Soluble
52 W Q 0.0000 Buried
53 I Q 0.0000 Buried
54 S Q 0.0000 Buried
55 F Q 0.0000 Buried
56 I Q 0.0000 Buried
57 K Q -1.5859 Soluble
58 S Q 0.0000 Buried
59 K Q -2.7327 Soluble
60 T Q -1.6732 Soluble
61 Y Q -0.9670 Soluble
62 G Q -1.3071 Soluble
63 G Q -1.5099 Soluble
64 T Q -1.1560 Soluble
65 K Q -1.3328 Soluble
66 E Q -1.0527 Soluble
67 Y Q -0.8279 Soluble
68 A Q 0.0000 Buried
69 A Q -0.9615 Soluble
70 S Q -0.7471 Soluble
71 V Q 0.0000 Buried
72 K Q -2.0581 Soluble
74 G Q -1.5335 Soluble
75 R Q -1.4072 Soluble
76 F Q 0.0000 Buried
77 T Q -1.1202 Soluble
78 I Q 0.0000 Buried
79 S Q -0.5983 Soluble
80 R Q -1.3825 Soluble
81 D Q -1.5679 Soluble
82 D Q -2.2902 Soluble
83 S Q -1.7182 Soluble
84 K Q -2.2710 Soluble
85 N Q -1.9180 Soluble
86 I Q -0.9946 Soluble
87 A Q 0.0000 Buried
88 Y Q -0.6358 Soluble
89 L Q 0.0000 Buried
90 Q Q -1.4630 Soluble
91 M Q 0.0000 Buried
92 N Q -1.8863 Soluble
93 S Q -1.7374 Soluble
94 L Q 0.0000 Buried
95 K Q -2.5175 Soluble
96 T Q -1.8372 Soluble
97 E Q -2.2993 Soluble
98 D Q 0.0000 Buried
99 T Q -0.7855 Soluble
100 A Q 0.0000 Buried
101 V Q -0.0940 Soluble
102 Y Q 0.0000 Buried
103 Y Q 0.0000 Buried
104 C Q 0.0000 Buried
105 T Q 0.0000 Buried
106 R Q -0.3282 Soluble
107 G Q 0.0000 Buried
108 A Q 0.0000 Buried
109 P Q -0.2763 Soluble
110 Y Q 0.0907 Aggregation-prone
111 G Q -0.6250 Soluble
111A G Q -1.0940 Soluble
111B N Q -1.2964 Soluble
112C S Q -0.5646 Soluble
112B D Q -0.4841 Soluble
112A Y Q 0.2062 Aggregation-prone
112 Y Q 0.0000 Buried
113 Y Q 0.2886 Aggregation-prone
114 G Q 0.0000 Buried
115 L Q 0.0000 Buried
116 D Q -0.5194 Soluble
117 V Q -0.2701 Soluble
118 W Q -0.5889 Soluble
119 G Q 0.0000 Buried
120 Q Q -1.5310 Soluble
121 G Q -0.8148 Soluble
122 T Q -0.3464 Soluble
123 T Q -0.0501 Soluble
124 V Q 0.0000 Buried
125 T Q -0.4546 Soluble
126 V Q 0.0000 Buried
127 S Q 0.0000 Buried
128 S Q -0.6562 Soluble
129 A Q -0.4418 Soluble
130 S Q -0.5158 Soluble
131 T Q -0.5660 Soluble
132 K Q -1.0914 Soluble
133 G Q -1.3097 Soluble
134 P Q -0.6110 Soluble
135 S Q -0.3788 Soluble
136 V Q 0.0000 Buried
137 F Q 0.0000 Buried
138 P Q -0.9865 Soluble
139 L Q 0.0000 Buried
140 A Q 0.0000 Buried
141 P Q -0.7731 Soluble
142 S Q -1.5146 Soluble
143 S Q -1.9024 Soluble
144 K Q -2.3088 Soluble
145 S Q -1.2485 Soluble
146 T Q -0.9809 Soluble
147 S Q -0.8427 Soluble
148 G Q -0.9087 Soluble
149 G Q -0.9180 Soluble
150 T Q -0.6758 Soluble
151 A Q 0.0000 Buried
152 A Q 0.0000 Buried
153 L Q 0.0000 Buried
154 G Q 0.0000 Buried
155 C Q 0.0000 Buried
156 L Q 0.0000 Buried
157 V Q 0.0000 Buried
158 K Q 0.0000 Buried
159 D Q -0.4399 Soluble
160 Y Q 0.0000 Buried
161 F Q 0.0000 Buried
162 P Q -0.9046 Soluble
163 E Q -1.4379 Soluble
164 P Q -1.2876 Soluble
165 V Q -0.9612 Soluble
166 T Q -0.7577 Soluble
167 V Q -0.2842 Soluble
168 S Q -0.4265 Soluble
169 W Q 0.0000 Buried
170 N Q -0.7180 Soluble
171 S Q -0.6879 Soluble
172 G Q -0.5688 Soluble
173 A Q -0.2119 Soluble
174 L Q 0.0690 Aggregation-prone
175 T Q -0.1206 Soluble
176 S Q -0.1383 Soluble
177 G Q -0.1226 Soluble
178 V Q 0.2273 Aggregation-prone
179 H Q -0.2608 Soluble
180 T Q 0.0010 Aggregation-prone
181 F Q 0.0000 Buried
182 P Q -0.5044 Soluble
183 A Q 0.0529 Aggregation-prone
184 V Q 0.0093 Aggregation-prone
185 L Q 0.5555 Aggregation-prone
186 Q Q -0.0311 Soluble
187 S Q -0.2073 Soluble
188 S Q -0.3023 Soluble
189 G Q -0.1148 Soluble
190 L Q -0.1902 Soluble
191 Y Q 0.0000 Buried
192 S Q 0.0000 Buried
193 L Q 0.0000 Buried
194 S Q 0.0000 Buried
195 S Q 0.0000 Buried
196 V Q 0.0000 Buried
197 V Q 0.0000 Buried
198 T Q -0.1043 Soluble
199 V Q 0.0000 Buried
200 P Q -0.5719 Soluble
201 S Q -0.7023 Soluble
202 S Q -0.6376 Soluble
203 S Q -0.6343 Soluble
204 L Q 0.0000 Buried
205 G Q -1.0994 Soluble
206 T Q -0.8837 Soluble
207 Q Q -1.0716 Soluble
208 T Q -1.0001 Soluble
209 Y Q 0.0000 Buried
210 I Q -1.1396 Soluble
211 C Q 0.0000 Buried
212 N Q -1.6544 Soluble
213 V Q 0.0000 Buried
214 N Q -2.1898 Soluble
215 H Q 0.0000 Buried
216 K Q -2.8402 Soluble
217 P Q -1.7337 Soluble
218 S Q -1.7921 Soluble
219 N Q -2.5793 Soluble
220 T Q -2.1017 Soluble
221 K Q -2.8378 Soluble
222 V Q -1.8969 Soluble
223 D Q -2.5687 Soluble
224 K Q -2.0004 Soluble
225 K Q -2.1063 Soluble
226 V Q 0.0000 Buried
227 E Q -2.4303 Soluble
228 P Q -1.5970 Soluble
229 K Q -1.9425 Soluble
230 S Q -1.3574 Soluble
1 D R -2.3880 Soluble
2 I R 0.0000 Buried
3 Q R -2.3054 Soluble
4 M R -1.7019 Soluble
5 T R -1.3445 Soluble
6 Q R 0.0000 Buried
7 S R -0.8301 Soluble
8 P R -0.5907 Soluble
9 S R -0.8315 Soluble
10 S R -0.7808 Soluble
11 L R -0.3118 Soluble
12 S R -0.6938 Soluble
13 A R 0.0000 Buried
14 S R -0.6505 Soluble
15 V R 0.0878 Aggregation-prone
16 G R -0.8550 Soluble
17 D R -1.6342 Soluble
18 R R -2.2604 Soluble
19 V R 0.0000 Buried
20 T R -0.4905 Soluble
21 I R 0.0000 Buried
22 T R -0.4891 Soluble
23 C R 0.0000 Buried
24 R R -2.0567 Soluble
25 T R 0.0000 Buried
26 S R -2.0033 Soluble
27 Q R -2.7497 Soluble
28 D R -2.4252 Soluble
29 V R 0.0000 Buried
36 R R -2.5470 Soluble
37 G R -1.4059 Soluble
38 A R 0.0000 Buried
39 L R 0.0000 Buried
40 A R 0.0000 Buried
41 W R 0.0000 Buried
42 Y R 0.0000 Buried
43 Q R 0.0000 Buried
44 Q R 0.0000 Buried
45 K R -1.7382 Soluble
46 P R -1.4864 Soluble
47 G R -1.7090 Soluble
48 K R -2.6022 Soluble
49 A R -1.7189 Soluble
50 P R 0.0000 Buried
51 K R -1.7603 Soluble
52 L R 0.0000 Buried
53 L R 0.0000 Buried
54 I R 0.0000 Buried
55 F R 0.0018 Aggregation-prone
56 D R -0.7994 Soluble
57 A R -0.7424 Soluble
65 S R -0.4637 Soluble
66 S R -0.1721 Soluble
67 L R 0.1774 Aggregation-prone
68 E R -0.4303 Soluble
69 T R -0.2931 Soluble
70 G R -0.4651 Soluble
71 V R -0.3503 Soluble
72 P R -0.3070 Soluble
74 S R -0.3738 Soluble
75 R R -0.7531 Soluble
76 F R 0.0000 Buried
77 S R -0.3237 Soluble
78 G R -0.3359 Soluble
79 S R -0.4947 Soluble
80 G R -0.4496 Soluble
83 S R -0.7849 Soluble
84 G R -1.5401 Soluble
85 T R -1.3635 Soluble
86 V R -0.3963 Soluble
87 F R 0.0000 Buried
88 T R -0.3647 Soluble
89 L R 0.0000 Buried
90 T R -0.5976 Soluble
91 I R 0.0000 Buried
92 S R -1.3191 Soluble
93 S R -1.1266 Soluble
94 L R 0.0000 Buried
95 Q R -1.1598 Soluble
96 P R -1.0033 Soluble
97 E R -1.9837 Soluble
98 D R 0.0000 Buried
99 F R -0.4797 Soluble
100 A R 0.0000 Buried
101 A R -0.5544 Soluble
102 Y R 0.0000 Buried
103 Y R 0.0000 Buried
104 C R 0.0000 Buried
105 Q R 0.0000 Buried
106 Q R 0.0000 Buried
107 F R 0.0000 Buried
108 L R -1.1238 Soluble
109 D R -1.6020 Soluble
114 F R -0.8093 Soluble
115 P R -0.7168 Soluble
116 F R 0.0000 Buried
117 T R -0.9350 Soluble
118 F R 0.0000 Buried
119 G R -1.1993 Soluble
120 Q R -1.8617 Soluble
121 G R -1.2304 Soluble
122 T R 0.0000 Buried
123 R R -1.1019 Soluble
124 L R 0.0000 Buried
125 E R -0.9646 Soluble
126 I R -0.3909 Soluble
127 K R -1.5484 Soluble
128 R R -1.4992 Soluble
129 T R -0.4903 Soluble
130 V R 0.2499 Aggregation-prone
131 A R 0.0512 Aggregation-prone
132 A R -0.1354 Soluble
133 P R -0.1368 Soluble
134 S R -0.1861 Soluble
135 V R 0.0000 Buried
136 F R 0.1308 Aggregation-prone
137 I R 0.2021 Aggregation-prone
138 F R 0.0000 Buried
139 P R -0.7649 Soluble
140 P R 0.0000 Buried
141 S R 0.0000 Buried
142 D R -2.7366 Soluble
143 E R -2.5154 Soluble
144 Q R 0.0000 Buried
145 L R -2.0521 Soluble
146 K R -2.6329 Soluble
147 S R -1.6523 Soluble
148 G R -1.1653 Soluble
149 T R -0.8419 Soluble
150 A R 0.0000 Buried
151 S R 0.0000 Buried
152 V R 0.0000 Buried
153 V R 0.0000 Buried
154 C R 0.0000 Buried
155 L R 0.0000 Buried
156 L R 0.0000 Buried
157 N R 0.0000 Buried
158 N R -0.7972 Soluble
159 F R 0.0000 Buried
160 Y R 0.0000 Buried
161 P R -1.9089 Soluble
162 R R -3.2940 Soluble
163 E R -3.2739 Soluble
164 A R -2.3847 Soluble
165 K R -2.4290 Soluble
166 V R -1.1161 Soluble
167 Q R -0.6174 Soluble
168 W R 0.0000 Buried
169 K R -0.8048 Soluble
170 V R 0.0000 Buried
171 D R -1.6684 Soluble
172 N R -1.3904 Soluble
173 A R -0.5388 Soluble
174 L R 0.1529 Aggregation-prone
175 Q R -0.3838 Soluble
176 S R -0.6099 Soluble
177 G R -0.8924 Soluble
178 N R -0.7962 Soluble
179 S R -1.2436 Soluble
180 Q R -1.7693 Soluble
181 E R -2.0987 Soluble
182 S R -0.9006 Soluble
183 V R -0.8242 Soluble
184 T R -1.1463 Soluble
185 E R -2.2478 Soluble
186 Q R -1.8544 Soluble
187 D R -1.8811 Soluble
188 S R -1.6929 Soluble
189 K R -2.3862 Soluble
190 D R -2.0342 Soluble
191 S R -1.9024 Soluble
192 T R 0.0000 Buried
193 Y R 0.0000 Buried
194 S R 0.0000 Buried
195 L R 0.0000 Buried
196 S R 0.0000 Buried
197 S R 0.0000 Buried
198 T R -0.7715 Soluble
199 L R 0.0000 Buried
200 T R -0.3273 Soluble
201 L R -0.6211 Soluble
202 S R -1.2969 Soluble
203 K R -2.1186 Soluble
204 A R -1.9318 Soluble
205 D R -2.6141 Soluble
206 Y R 0.0000 Buried
207 E R -3.2313 Soluble
208 K R -3.4886 Soluble
209 H R -2.7834 Soluble
210 K R -2.9603 Soluble
211 V R -1.5647 Soluble
212 Y R 0.0000 Buried
213 A R 0.0000 Buried
214 C R 0.0000 Buried
215 E R -0.6391 Soluble
216 V R 0.0000 Buried
217 T R -1.1857 Soluble
218 H R 0.0000 Buried
219 Q R -1.8346 Soluble
220 G R -0.5608 Soluble
221 L R -0.3150 Soluble
222 S R -0.5129 Soluble
223 S R -0.4456 Soluble
224 P R -0.5824 Soluble
225 V R -0.0090 Soluble
226 T R -0.3636 Soluble
227 K R -0.4607 Soluble
228 S R -0.4308 Soluble
229 F R -1.0826 Soluble
230 N R -2.2571 Soluble
231 R R -2.8628 Soluble
232 G R -2.2842 Soluble
233 E R -2.8468 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 -0.8395 1.6018 CSV PDB
4.5 -0.8841 1.4325 CSV PDB
5.0 -0.9367 1.3748 CSV PDB
5.5 -0.9878 1.323 CSV PDB
6.0 -1.0255 1.2954 CSV PDB
6.5 -1.0399 1.2954 CSV PDB
7.0 -1.0303 1.2954 CSV PDB
7.5 -1.0042 1.2954 CSV PDB
8.0 -0.9683 1.2954 CSV PDB
8.5 -0.9251 1.2954 CSV PDB
9.0 -0.8747 1.2954 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH