Clesrovimab / 9mml

A4DAB067_9mml_M_N | Source PDB: 9mml | Chains: M, N | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7809
Max Score
0.9997
Min Score
-3.3704
Total Score
-342.05
Score CDR
-0.7171
Score non-CDR
-0.7899

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVRPGRSLRLSCTVSGFSFDDSAMSWVRQAPGKGLEWISFIKSKTYGGTKEYAASVKGRFTISRDDSKNIAYLQMNSLKTEDTAVYYCTRGAPYGGNSDYYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSSKGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSDIQMTQSPSSLSASVGDRVTITCRTSQDVRGALAWYQQKPGKAPKLLIFDASSLETGVPSRFSGSGSGTVFTLTISSLQPEDFAAYYCQQFLDFPFTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE input.pdb
Selected Chain(s) M (Heavy), N (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 -3.3704
Maximum Score 0.9997
Average Score -0.7809
Total Score -342.0537

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

Index Residue Chain A4D Score Classification
1 E M -2.0579 Soluble
2 V M -1.1100 Soluble
3 Q M -1.4925 Soluble
4 L M 0.0000 Buried
5 V M 0.3775 Aggregation-prone
6 E M 0.0000 Buried
7 S M -0.4355 Soluble
8 G M -0.9467 Soluble
9 G M -0.4152 Soluble
11 G M 0.1964 Aggregation-prone
12 L M 0.6556 Aggregation-prone
13 V M -0.6113 Soluble
14 R M -2.3486 Soluble
15 P M -2.4400 Soluble
16 G M -2.3985 Soluble
17 R M -2.9799 Soluble
18 S M -2.0151 Soluble
19 L M -1.3646 Soluble
20 R M -1.5014 Soluble
21 L M 0.0000 Buried
22 S M -0.2498 Soluble
23 C M 0.0000 Buried
24 T M -0.1750 Soluble
25 V M 0.0000 Buried
26 S M -0.9705 Soluble
27 G M -1.2847 Soluble
28 F M 0.0000 Buried
29 S M -1.1088 Soluble
30 F M 0.0000 Buried
35 D M -2.6301 Soluble
36 D M -2.3162 Soluble
37 S M 0.0000 Buried
38 A M 0.0000 Buried
39 M M 0.0000 Buried
40 S M 0.0000 Buried
41 W M 0.0000 Buried
42 V M 0.0000 Buried
43 R M -0.6816 Soluble
44 Q M -0.9370 Soluble
45 A M -1.3458 Soluble
46 P M -1.0201 Soluble
47 G M -1.5052 Soluble
48 K M -2.4279 Soluble
49 G M -1.7684 Soluble
50 L M 0.0000 Buried
51 E M -1.3802 Soluble
52 W M 0.0000 Buried
53 I M 0.0000 Buried
54 S M 0.0000 Buried
55 F M 0.0000 Buried
56 I M 0.0000 Buried
57 K M -1.4073 Soluble
58 S M 0.0000 Buried
59 K M -2.6142 Soluble
60 T M -1.4474 Soluble
61 Y M -0.9902 Soluble
62 G M -1.1997 Soluble
63 G M -1.6302 Soluble
64 T M -1.4174 Soluble
65 K M -1.8542 Soluble
66 E M -1.4526 Soluble
67 Y M -0.9772 Soluble
68 A M 0.0000 Buried
69 A M -0.8960 Soluble
70 S M -0.8093 Soluble
71 V M 0.0000 Buried
72 K M -2.0213 Soluble
74 G M -1.5355 Soluble
75 R M -1.5096 Soluble
76 F M 0.0000 Buried
77 T M -1.1197 Soluble
78 I M 0.0000 Buried
79 S M -0.6465 Soluble
80 R M -1.5894 Soluble
81 D M -2.0695 Soluble
82 D M -2.8287 Soluble
83 S M -2.0761 Soluble
84 K M -2.5844 Soluble
85 N M -2.1210 Soluble
86 I M -0.8824 Soluble
87 A M 0.0000 Buried
88 Y M -0.0834 Soluble
89 L M 0.0000 Buried
90 Q M -1.1590 Soluble
91 M M 0.0000 Buried
92 N M -2.0059 Soluble
93 S M -2.0750 Soluble
94 L M 0.0000 Buried
95 K M -2.9344 Soluble
96 T M -2.0941 Soluble
97 E M -2.3826 Soluble
98 D M 0.0000 Buried
99 T M -0.7222 Soluble
100 A M 0.0000 Buried
101 V M -0.0072 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 T M 0.0000 Buried
106 R M -0.4814 Soluble
107 G M 0.0000 Buried
108 A M -0.0621 Soluble
109 P M -0.1633 Soluble
110 Y M 0.4200 Aggregation-prone
111 G M -0.6415 Soluble
111A G M -1.2721 Soluble
111B N M -1.5840 Soluble
112C S M -0.5904 Soluble
112B D M -0.0873 Soluble
112A Y M 0.9122 Aggregation-prone
112 Y M 0.0000 Buried
113 Y M 0.6505 Aggregation-prone
114 G M 0.0000 Buried
115 L M 0.0000 Buried
116 D M -0.5784 Soluble
117 V M -0.4689 Soluble
118 W M 0.0000 Buried
119 G M 0.0000 Buried
120 Q M -1.3609 Soluble
121 G M 0.0000 Buried
122 T M -0.3017 Soluble
123 T M -0.1443 Soluble
124 V M 0.0000 Buried
125 T M -0.2689 Soluble
126 V M 0.0000 Buried
127 S M -0.8962 Soluble
128 S M -0.6528 Soluble
129 A M -0.8413 Soluble
130 S M -0.5731 Soluble
131 T M -1.1489 Soluble
132 K M -1.7358 Soluble
133 G M -1.7921 Soluble
134 P M 0.0000 Buried
135 S M -0.5700 Soluble
136 V M 0.0000 Buried
137 F M 0.0000 Buried
138 P M -1.2921 Soluble
139 L M 0.0000 Buried
140 A M -1.2171 Soluble
141 P M 0.0000 Buried
142 S M -1.2587 Soluble
143 S M -1.1138 Soluble
144 K M -1.9177 Soluble
145 G M -0.8770 Soluble
146 T M -0.4628 Soluble
147 A M 0.0000 Buried
148 A M 0.0000 Buried
149 L M 0.0000 Buried
150 G M 0.0000 Buried
151 C M 0.0000 Buried
152 L M 0.0000 Buried
153 V M 0.0000 Buried
154 K M 0.0000 Buried
155 D M -1.2782 Soluble
156 Y M 0.0000 Buried
157 F M 0.0000 Buried
158 P M -1.1505 Soluble
159 E M -1.4544 Soluble
160 P M -1.2387 Soluble
161 V M -0.6982 Soluble
162 T M -0.5979 Soluble
163 V M 0.0316 Aggregation-prone
164 S M -0.3388 Soluble
165 W M 0.0000 Buried
166 N M -0.9245 Soluble
167 S M -0.7003 Soluble
168 G M -0.4346 Soluble
169 A M -0.1085 Soluble
170 L M 0.3028 Aggregation-prone
171 T M -0.0035 Soluble
172 S M -0.0638 Soluble
173 G M -0.3045 Soluble
174 V M 0.3012 Aggregation-prone
175 H M -0.2815 Soluble
176 T M 0.0809 Aggregation-prone
177 F M 0.0000 Buried
178 P M -0.1902 Soluble
179 A M 0.0782 Aggregation-prone
180 V M 0.4231 Aggregation-prone
181 L M 0.9997 Aggregation-prone
182 Q M 0.1532 Aggregation-prone
183 S M -0.0796 Soluble
184 S M -0.3880 Soluble
185 G M -0.2765 Soluble
186 L M 0.0000 Buried
187 Y M -0.1886 Soluble
188 S M 0.0000 Buried
189 L M 0.0000 Buried
190 S M 0.0000 Buried
191 S M 0.0000 Buried
192 V M 0.0000 Buried
193 V M 0.0000 Buried
194 T M -0.1260 Soluble
195 V M 0.0000 Buried
196 P M -0.5635 Soluble
197 S M -0.8318 Soluble
198 S M -0.6708 Soluble
199 S M -0.7195 Soluble
200 L M -0.8731 Soluble
201 G M -1.1620 Soluble
202 T M -0.9323 Soluble
203 Q M -1.5611 Soluble
204 T M -1.3611 Soluble
205 Y M 0.0000 Buried
206 I M -1.3611 Soluble
207 C M 0.0000 Buried
208 N M -1.5202 Soluble
209 V M 0.0000 Buried
210 N M -1.7421 Soluble
211 H M 0.0000 Buried
212 K M -2.7675 Soluble
213 P M -1.8415 Soluble
214 S M -1.9178 Soluble
215 N M -2.4672 Soluble
216 T M -2.2839 Soluble
217 K M -2.7143 Soluble
218 V M -1.9109 Soluble
219 D M -2.6937 Soluble
220 K M -2.2412 Soluble
221 K M -2.6600 Soluble
222 V M 0.0000 Buried
223 E M -2.9427 Soluble
224 P M -1.9602 Soluble
225 K M -2.3811 Soluble
226 S M -1.4350 Soluble
1 D N -2.4103 Soluble
2 I N 0.0000 Buried
3 Q N -2.0822 Soluble
4 M N 0.0000 Buried
5 T N -1.2434 Soluble
6 Q N -1.0409 Soluble
7 S N -0.7610 Soluble
8 P N -0.6126 Soluble
9 S N -0.9952 Soluble
10 S N -0.9954 Soluble
11 L N -0.6925 Soluble
12 S N -1.1727 Soluble
13 A N 0.0000 Buried
14 S N -0.5941 Soluble
15 V N 0.4707 Aggregation-prone
16 G N -0.7215 Soluble
17 D N -1.6476 Soluble
18 R N -2.2665 Soluble
19 V N 0.0000 Buried
20 T N -0.6157 Soluble
21 I N 0.0000 Buried
22 T N -0.4839 Soluble
23 C N 0.0000 Buried
24 R N -1.9973 Soluble
25 T N 0.0000 Buried
26 S N -1.8849 Soluble
27 Q N -2.6255 Soluble
28 D N -2.8420 Soluble
29 V N 0.0000 Buried
36 R N -2.5570 Soluble
37 G N -1.3879 Soluble
38 A N -0.6720 Soluble
39 L N 0.0000 Buried
40 A N 0.0000 Buried
41 W N 0.0000 Buried
42 Y N 0.0000 Buried
43 Q N 0.0000 Buried
44 Q N 0.0000 Buried
45 K N -1.7354 Soluble
46 P N -1.7189 Soluble
47 G N -1.6196 Soluble
48 K N -2.5611 Soluble
49 A N -1.6557 Soluble
50 P N 0.0000 Buried
51 K N -1.3979 Soluble
52 L N 0.0000 Buried
53 L N 0.0000 Buried
54 I N 0.0000 Buried
55 F N 0.1329 Aggregation-prone
56 D N -0.4971 Soluble
57 A N 0.0000 Buried
65 S N -0.4704 Soluble
66 S N -0.2023 Soluble
67 L N 0.0199 Aggregation-prone
68 E N -0.5186 Soluble
69 T N -0.4441 Soluble
70 G N -0.6851 Soluble
71 V N -0.3868 Soluble
72 P N -0.3353 Soluble
74 S N -0.4457 Soluble
75 R N -0.6187 Soluble
76 F N 0.0000 Buried
77 S N -0.4122 Soluble
78 G N -0.4253 Soluble
79 S N -0.5928 Soluble
80 G N -1.0367 Soluble
83 S N -1.1786 Soluble
84 G N -1.8915 Soluble
85 T N -1.5143 Soluble
86 V N -0.7385 Soluble
87 F N 0.0000 Buried
88 T N -0.3981 Soluble
89 L N 0.0000 Buried
90 T N -0.7041 Soluble
91 I N 0.0000 Buried
92 S N -1.3329 Soluble
93 S N -1.0775 Soluble
94 L N 0.0000 Buried
95 Q N -0.8491 Soluble
96 P N -0.7070 Soluble
97 E N -1.4779 Soluble
98 D N 0.0000 Buried
99 F N -0.5665 Soluble
100 A N 0.0000 Buried
101 A N -0.8849 Soluble
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
104 C N 0.0000 Buried
105 Q N 0.0000 Buried
106 Q N 0.0000 Buried
107 F N 0.0000 Buried
108 L N -0.5299 Soluble
109 D N -1.3046 Soluble
114 F N -0.5803 Soluble
115 P N -0.5256 Soluble
116 F N 0.0000 Buried
117 T N -0.8836 Soluble
118 F N 0.0000 Buried
119 G N 0.0000 Buried
120 Q N -1.7283 Soluble
121 G N -1.4603 Soluble
122 T N 0.0000 Buried
123 R N -1.7142 Soluble
124 L N 0.0000 Buried
125 E N -1.3951 Soluble
126 I N -0.8152 Soluble
127 K N -1.8327 Soluble
128 R N -1.8410 Soluble
129 T N -0.2022 Soluble
130 V N 0.8812 Aggregation-prone
131 A N 0.3168 Aggregation-prone
132 A N -0.0268 Soluble
133 P N 0.0000 Buried
134 S N -0.1337 Soluble
135 V N 0.0000 Buried
136 F N 0.1653 Aggregation-prone
137 I N 0.2169 Aggregation-prone
138 F N 0.0000 Buried
139 P N -0.5260 Soluble
140 P N 0.0000 Buried
141 S N 0.0000 Buried
142 D N -2.7637 Soluble
143 E N -2.4206 Soluble
144 Q N 0.0000 Buried
145 L N -1.9961 Soluble
146 K N -2.5170 Soluble
147 S N -1.6909 Soluble
148 G N -1.2007 Soluble
149 T N -0.7350 Soluble
150 A N 0.0000 Buried
151 S N 0.0000 Buried
152 V N 0.0000 Buried
153 V N 0.0000 Buried
154 C N 0.0000 Buried
155 L N 0.0000 Buried
156 L N 0.0000 Buried
157 N N -0.4291 Soluble
158 N N -0.7426 Soluble
159 F N 0.0000 Buried
160 Y N 0.0000 Buried
161 P N -1.5545 Soluble
162 R N -2.5612 Soluble
163 E N -2.8918 Soluble
164 A N -1.9625 Soluble
165 K N -1.7940 Soluble
166 V N -0.7721 Soluble
167 Q N -0.4913 Soluble
168 W N 0.0000 Buried
169 K N -0.7226 Soluble
170 V N 0.0000 Buried
171 D N -2.2803 Soluble
172 N N -1.7441 Soluble
173 A N -0.4614 Soluble
174 L N 0.4568 Aggregation-prone
175 Q N -0.6052 Soluble
176 S N -0.7874 Soluble
177 G N -1.1831 Soluble
178 N N -1.3944 Soluble
179 S N -1.4240 Soluble
180 Q N -1.3052 Soluble
181 E N -1.7054 Soluble
182 S N 0.0000 Buried
183 V N -0.1231 Soluble
184 T N -0.7806 Soluble
185 E N -2.1441 Soluble
186 Q N -1.9927 Soluble
187 D N -2.2208 Soluble
188 S N -1.9624 Soluble
189 K N -2.7259 Soluble
190 D N -2.7708 Soluble
191 S N -2.3803 Soluble
192 T N 0.0000 Buried
193 Y N 0.0000 Buried
194 S N 0.0000 Buried
195 L N 0.0000 Buried
196 S N 0.0000 Buried
197 S N 0.0000 Buried
198 T N 0.0000 Buried
199 L N 0.0000 Buried
200 T N -0.4796 Soluble
201 L N 0.0000 Buried
202 S N -1.1788 Soluble
203 K N -2.0816 Soluble
204 A N -1.7674 Soluble
205 D N -1.9123 Soluble
206 Y N -2.0641 Soluble
207 E N -3.3246 Soluble
208 K N -3.3704 Soluble
209 H N -2.7597 Soluble
210 K N -3.1976 Soluble
211 V N -1.9459 Soluble
212 Y N 0.0000 Buried
213 A N 0.0000 Buried
214 C N 0.0000 Buried
215 E N -0.5070 Soluble
216 V N 0.0000 Buried
217 T N -0.9755 Soluble
218 H N 0.0000 Buried
219 Q N -1.5492 Soluble
220 G N -0.3314 Soluble
221 L N -0.2408 Soluble
222 S N -0.4799 Soluble
223 S N -0.4498 Soluble
224 P N -0.5327 Soluble
225 V N 0.0069 Aggregation-prone
226 T N -0.3894 Soluble
227 K N -0.5543 Soluble
228 S N -0.4728 Soluble
229 F N -0.8881 Soluble
230 N N -1.9650 Soluble
231 R N -2.3802 Soluble
232 G N -2.1528 Soluble
233 E N -2.4749 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
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 -0.8327 1.8317 CSV PDB
4.5 -0.8773 1.6368 CSV PDB
5.0 -0.9308 1.4903 CSV PDB
5.5 -0.9831 1.3814 CSV PDB
6.0 -1.0215 1.2696 CSV PDB
6.5 -1.0352 1.158 CSV PDB
7.0 -1.024 1.094 CSV PDB
7.5 -0.9961 1.1067 CSV PDB
8.0 -0.9589 1.2558 CSV PDB
8.5 -0.9147 1.408 CSV PDB
9.0 -0.8637 1.5605 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH