Clesrovimab / 6ous

A4DAB067_6ous_S_T | Source PDB: 6ous | Chains: S, T | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7578
Max Score
1.1218
Min Score
-3.8514
Total Score
-331.16
Score CDR
-0.7972
Score non-CDR
-0.7523

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVRPGRSLRLSCTVSGFSFDDSAMSWVRQAPGKGLEWISFIKSKTYGGTKEYAASVKGRFTISRDDSKNIAYLQMNSLKTEDTAVYYCTRGAPYGGNSDYYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRTSQDVRGALAWYQQKPGKAPKLLIFDASSLETGVPSRFSGSGSGTVFTLTISSLQPEDFAAYYCQQFLDFPFTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) S (Heavy), T (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 -3.8514
Maximum Score 1.1218
Average Score -0.7578
Total Score -331.1643

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

Index Residue Chain A4D Score Classification
1 E S -1.6155 Soluble
2 V S -0.2928 Soluble
3 Q S -0.8146 Soluble
4 L S 0.0000 Buried
5 V S 0.1602 Aggregation-prone
6 E S 0.0000 Buried
7 S S -0.5443 Soluble
8 G S -0.8739 Soluble
9 G S -0.5092 Soluble
11 G S 0.1539 Aggregation-prone
12 L S 0.6979 Aggregation-prone
13 V S 0.0000 Buried
14 R S -1.3161 Soluble
15 P S -1.5639 Soluble
16 G S -2.0085 Soluble
17 R S -2.5972 Soluble
18 S S -1.9486 Soluble
19 L S -1.4581 Soluble
20 R S -2.1909 Soluble
21 L S 0.0000 Buried
22 S S -0.6053 Soluble
23 C S 0.0000 Buried
24 T S -0.4138 Soluble
25 V S 0.0000 Buried
26 S S -0.5126 Soluble
27 G S -0.6015 Soluble
28 F S -0.4545 Soluble
29 S S -1.0671 Soluble
30 F S 0.0000 Buried
35 D S -3.3126 Soluble
36 D S -2.7306 Soluble
37 S S -1.7279 Soluble
38 A S 0.0000 Buried
39 M S 0.0000 Buried
40 S S 0.0000 Buried
41 W S 0.0000 Buried
42 V S 0.0000 Buried
43 R S 0.0000 Buried
44 Q S -0.8562 Soluble
45 A S -1.2770 Soluble
46 P S -1.1395 Soluble
47 G S -1.4834 Soluble
48 K S -2.3793 Soluble
49 G S -1.6442 Soluble
50 L S 0.0000 Buried
51 E S -1.0842 Soluble
52 W S 0.0000 Buried
53 I S 0.0000 Buried
54 S S 0.0000 Buried
55 F S 0.0000 Buried
56 I S 0.0000 Buried
57 K S -1.4677 Soluble
58 S S 0.0000 Buried
59 K S -2.5001 Soluble
60 T S -1.5190 Soluble
61 Y S -0.2635 Soluble
62 G S -0.8634 Soluble
63 G S -1.3581 Soluble
64 T S -0.9725 Soluble
65 K S -1.2742 Soluble
66 E S -1.0090 Soluble
67 Y S -0.8394 Soluble
68 A S 0.0000 Buried
69 A S -0.8766 Soluble
70 S S -0.7962 Soluble
71 V S 0.0000 Buried
72 K S -2.0616 Soluble
74 G S -1.4985 Soluble
75 R S -1.3253 Soluble
76 F S 0.0000 Buried
77 T S -1.1025 Soluble
78 I S 0.0000 Buried
79 S S -0.5881 Soluble
80 R S -1.4340 Soluble
81 D S -1.7397 Soluble
82 D S -2.4281 Soluble
83 S S -1.7956 Soluble
84 K S -2.5188 Soluble
85 N S -2.0569 Soluble
86 I S 0.0000 Buried
87 A S 0.0000 Buried
88 Y S -0.7307 Soluble
89 L S 0.0000 Buried
90 Q S -1.4767 Soluble
91 M S 0.0000 Buried
92 N S -1.7727 Soluble
93 S S -1.6302 Soluble
94 L S 0.0000 Buried
95 K S -2.1139 Soluble
96 T S -1.5990 Soluble
97 E S -2.1841 Soluble
98 D S 0.0000 Buried
99 T S -0.6561 Soluble
100 A S 0.0000 Buried
101 V S 0.0809 Aggregation-prone
102 Y S 0.0000 Buried
103 Y S 0.0000 Buried
104 C S 0.0000 Buried
105 T S 0.0000 Buried
106 R S -0.3240 Soluble
107 G S 0.0000 Buried
108 A S 0.0000 Buried
109 P S -0.6519 Soluble
110 Y S -0.2169 Soluble
111 G S -0.9043 Soluble
111A G S -1.3236 Soluble
111B N S -1.9602 Soluble
112C S S -1.1012 Soluble
112B D S -1.0628 Soluble
112A Y S -0.3662 Soluble
112 Y S 0.0000 Buried
113 Y S 0.2322 Aggregation-prone
114 G S 0.0000 Buried
115 L S 0.0000 Buried
116 D S -0.4916 Soluble
117 V S -0.2666 Soluble
118 W S -0.4265 Soluble
119 G S 0.0000 Buried
120 Q S -1.4730 Soluble
121 G S 0.0000 Buried
122 T S -0.2604 Soluble
123 T S 0.0596 Aggregation-prone
124 V S 0.0000 Buried
125 T S -0.2107 Soluble
126 V S 0.0000 Buried
127 S S 0.0000 Buried
128 S S -0.4641 Soluble
129 A S -0.4626 Soluble
130 S S -0.4781 Soluble
131 T S -0.7334 Soluble
132 K S -1.2216 Soluble
133 G S -1.2843 Soluble
134 P S 0.0000 Buried
135 S S -0.4086 Soluble
136 V S 0.0000 Buried
137 F S 0.0000 Buried
138 P S -1.1034 Soluble
139 L S 0.0000 Buried
140 A S -1.0164 Soluble
141 P S 0.0000 Buried
142 S S -0.7575 Soluble
143 S S -0.3760 Soluble
144 G S -0.6529 Soluble
145 T S -0.5182 Soluble
146 A S 0.0000 Buried
147 A S 0.0000 Buried
148 L S 0.0000 Buried
149 G S 0.0000 Buried
150 C S 0.0000 Buried
151 L S 0.0000 Buried
152 V S 0.0000 Buried
153 K S 0.0000 Buried
154 D S -0.3911 Soluble
155 Y S 0.0000 Buried
156 F S 0.0000 Buried
157 P S -0.7447 Soluble
158 E S -1.0896 Soluble
159 P S -1.0665 Soluble
160 V S -0.6336 Soluble
161 T S -0.6303 Soluble
162 V S -0.2016 Soluble
163 S S -0.3963 Soluble
164 W S 0.0000 Buried
165 N S -0.7204 Soluble
166 S S -0.6659 Soluble
167 G S -0.5707 Soluble
168 A S -0.2243 Soluble
169 L S 0.0468 Aggregation-prone
170 T S -0.1213 Soluble
171 S S -0.1760 Soluble
172 G S -0.2257 Soluble
173 V S 0.1576 Aggregation-prone
174 H S -0.3294 Soluble
175 T S -0.0070 Soluble
176 F S 0.0000 Buried
177 P S -0.2015 Soluble
178 A S 0.1955 Aggregation-prone
179 V S 0.1681 Aggregation-prone
180 L S 0.5786 Aggregation-prone
181 Q S -0.0580 Soluble
182 S S -0.1955 Soluble
183 S S -0.2888 Soluble
184 G S -0.0878 Soluble
185 L S -0.0987 Soluble
186 Y S 0.1164 Aggregation-prone
187 S S 0.1184 Aggregation-prone
188 L S 0.0000 Buried
189 S S 0.0000 Buried
190 S S 0.0000 Buried
191 V S 0.0000 Buried
192 V S 0.0000 Buried
193 T S -0.1489 Soluble
194 V S 0.0000 Buried
195 P S -0.5892 Soluble
196 S S -0.6009 Soluble
197 S S -0.6301 Soluble
198 S S -0.6478 Soluble
199 L S -0.8578 Soluble
200 G S -1.0051 Soluble
201 T S -0.9107 Soluble
202 Q S -1.2994 Soluble
203 T S -1.1226 Soluble
204 Y S 0.0000 Buried
205 I S -1.2022 Soluble
206 C S 0.0000 Buried
207 N S -1.5431 Soluble
208 V S 0.0000 Buried
209 N S -1.8802 Soluble
210 H S 0.0000 Buried
211 K S -2.7677 Soluble
212 P S -1.6843 Soluble
213 S S -1.8000 Soluble
214 N S -2.5064 Soluble
215 T S -2.2016 Soluble
216 K S -2.6603 Soluble
217 V S -1.6796 Soluble
218 D S -2.5783 Soluble
219 K S -2.2315 Soluble
220 K S -2.4439 Soluble
221 V S 0.0000 Buried
222 E S -2.5243 Soluble
223 P S -1.8444 Soluble
224 K S -2.4463 Soluble
225 S S -1.3913 Soluble
1 D T -2.2735 Soluble
2 I T -1.7692 Soluble
3 Q T -2.0287 Soluble
4 M T 0.0000 Buried
5 T T -1.2114 Soluble
6 Q T 0.0000 Buried
7 S T -0.7726 Soluble
8 P T -0.5066 Soluble
9 S T -0.7007 Soluble
10 S T -0.6254 Soluble
11 L T -0.2430 Soluble
12 S T -0.6372 Soluble
13 A T 0.0000 Buried
14 S T -0.6207 Soluble
15 V T 0.0599 Aggregation-prone
16 G T -0.8791 Soluble
17 D T -1.7524 Soluble
18 R T -2.3210 Soluble
19 V T 0.0000 Buried
20 T T -0.4933 Soluble
21 I T 0.0000 Buried
22 T T -0.4513 Soluble
23 C T 0.0000 Buried
24 R T -1.9011 Soluble
25 T T 0.0000 Buried
26 S T -1.7813 Soluble
27 Q T -2.3827 Soluble
28 D T -1.9422 Soluble
29 V T 0.0000 Buried
36 R T -2.3719 Soluble
37 G T -1.3496 Soluble
38 A T 0.0000 Buried
39 L T 0.0000 Buried
40 A T 0.0000 Buried
41 W T 0.0000 Buried
42 Y T 0.0000 Buried
43 Q T 0.0000 Buried
44 Q T 0.0000 Buried
45 K T -2.9230 Soluble
46 P T -2.0056 Soluble
47 G T -1.9808 Soluble
48 K T -2.9848 Soluble
49 A T -1.9704 Soluble
50 P T 0.0000 Buried
51 K T -2.0393 Soluble
52 L T 0.0000 Buried
53 L T 0.0000 Buried
54 I T 0.0000 Buried
55 F T -0.0065 Soluble
56 D T -0.7406 Soluble
57 A T -0.7253 Soluble
65 S T -0.4639 Soluble
66 S T -0.1604 Soluble
67 L T 0.1772 Aggregation-prone
68 E T -0.4530 Soluble
69 T T -0.2986 Soluble
70 G T -0.4549 Soluble
71 V T -0.3355 Soluble
72 P T -0.3074 Soluble
74 S T -0.3790 Soluble
75 R T -0.7821 Soluble
76 F T 0.0000 Buried
77 S T -0.3320 Soluble
78 G T -0.4054 Soluble
79 S T -0.5208 Soluble
80 G T -0.5283 Soluble
83 S T -0.8072 Soluble
84 G T -1.4197 Soluble
85 T T -1.2667 Soluble
86 V T -0.5656 Soluble
87 F T 0.0000 Buried
88 T T -0.3980 Soluble
89 L T 0.0000 Buried
90 T T -0.6086 Soluble
91 I T 0.0000 Buried
92 S T -1.3731 Soluble
93 S T -1.1804 Soluble
94 L T 0.0000 Buried
95 Q T -1.1057 Soluble
96 P T -0.9947 Soluble
97 E T -2.1094 Soluble
98 D T 0.0000 Buried
99 F T -0.6200 Soluble
100 A T 0.0000 Buried
101 A T -0.7510 Soluble
102 Y T 0.0000 Buried
103 Y T 0.0000 Buried
104 C T 0.0000 Buried
105 Q T 0.0000 Buried
106 Q T 0.0000 Buried
107 F T 0.0000 Buried
108 L T -0.9276 Soluble
109 D T -1.5392 Soluble
114 F T -0.6753 Soluble
115 P T -0.5778 Soluble
116 F T 0.0000 Buried
117 T T -0.8053 Soluble
118 F T 0.0000 Buried
119 G T 0.0000 Buried
120 Q T -1.6345 Soluble
121 G T -1.1206 Soluble
122 T T 0.0000 Buried
123 R T -0.7460 Soluble
124 L T 0.0000 Buried
125 E T 0.0000 Buried
126 I T -0.3609 Soluble
127 K T -1.3857 Soluble
128 R T -1.0972 Soluble
129 T T 0.1061 Aggregation-prone
130 V T 1.1218 Aggregation-prone
131 A T 0.4062 Aggregation-prone
132 A T -0.0073 Soluble
133 P T 0.0000 Buried
134 S T -0.1567 Soluble
135 V T 0.0000 Buried
136 F T 0.1105 Aggregation-prone
137 I T 0.0842 Aggregation-prone
138 F T 0.0000 Buried
139 P T -0.5689 Soluble
140 P T 0.0000 Buried
141 S T -1.5388 Soluble
142 D T -2.8054 Soluble
143 E T -2.7124 Soluble
144 Q T 0.0000 Buried
145 L T -2.2204 Soluble
146 K T -2.7626 Soluble
147 S T -1.7609 Soluble
148 G T -1.3211 Soluble
149 T T -0.9509 Soluble
150 A T 0.0000 Buried
151 S T 0.0000 Buried
152 V T 0.0000 Buried
153 V T 0.0000 Buried
154 C T 0.0000 Buried
155 L T 0.0000 Buried
156 L T 0.0000 Buried
157 N T 0.0000 Buried
158 N T -0.8864 Soluble
159 F T 0.0000 Buried
160 Y T 0.0000 Buried
161 P T -1.7348 Soluble
162 R T -2.9406 Soluble
163 E T -3.2774 Soluble
164 A T -2.3518 Soluble
165 K T -2.4296 Soluble
166 V T -1.0855 Soluble
167 Q T -0.6157 Soluble
168 W T 0.0000 Buried
169 K T -0.6668 Soluble
170 V T 0.0000 Buried
171 D T -1.5365 Soluble
172 N T -1.4268 Soluble
173 A T -0.3164 Soluble
174 L T 0.3852 Aggregation-prone
175 Q T -0.3041 Soluble
176 S T -0.6095 Soluble
177 G T -0.9482 Soluble
178 N T -0.8591 Soluble
179 S T -1.3704 Soluble
180 Q T -2.0922 Soluble
181 E T -2.4218 Soluble
182 S T -0.9884 Soluble
183 V T -0.8804 Soluble
184 T T -1.1581 Soluble
185 E T -2.2740 Soluble
186 Q T -1.9443 Soluble
187 D T -2.0588 Soluble
188 S T -1.7959 Soluble
189 K T -2.4345 Soluble
190 D T -2.1536 Soluble
191 S T -1.9163 Soluble
192 T T 0.0000 Buried
193 Y T 0.0000 Buried
194 S T 0.0000 Buried
195 L T 0.0000 Buried
196 S T 0.0000 Buried
197 S T 0.0000 Buried
198 T T -0.8756 Soluble
199 L T 0.0000 Buried
200 T T -0.3514 Soluble
201 L T -0.7055 Soluble
202 S T -1.2705 Soluble
203 K T -2.4197 Soluble
204 A T -2.1779 Soluble
205 D T -2.9746 Soluble
206 Y T 0.0000 Buried
207 E T -3.8514 Soluble
208 K T -3.7745 Soluble
209 H T -3.0587 Soluble
210 K T -3.1863 Soluble
211 V T -1.6030 Soluble
212 Y T 0.0000 Buried
213 A T 0.0000 Buried
214 C T 0.0000 Buried
215 E T -0.6682 Soluble
216 V T 0.0000 Buried
217 T T -1.1733 Soluble
218 H T 0.0000 Buried
219 Q T -1.4374 Soluble
220 G T -0.2769 Soluble
221 L T -0.2151 Soluble
222 S T -0.5006 Soluble
223 S T -0.4210 Soluble
224 P T -0.5806 Soluble
225 V T -0.0324 Soluble
226 T T -0.4546 Soluble
227 K T -0.7347 Soluble
228 S T -0.7601 Soluble
229 F T 0.0000 Buried
230 N T -2.4881 Soluble
231 R T -2.8481 Soluble
232 G T -2.3578 Soluble
233 E T -2.7024 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
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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 -0.7992 1.7334 CSV PDB
4.5 -0.8449 1.5881 CSV PDB
5.0 -0.8981 1.5331 CSV PDB
5.5 -0.9484 1.4774 CSV PDB
6.0 -0.9843 1.4301 CSV PDB
6.5 -0.9964 1.3983 CSV PDB
7.0 -0.9845 1.3824 CSV PDB
7.5 -0.9567 1.3762 CSV PDB
8.0 -0.92 1.3741 CSV PDB
8.5 -0.8767 1.3734 CSV PDB
9.0 -0.8265 1.3825 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH