Clesrovimab / 6ous

A4DAB067_6ous_M_N | Source PDB: 6ous | Chains: M, N | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7752
Max Score
0.7628
Min Score
-3.4768
Total Score
-339.55
Score CDR
-0.8045
Score non-CDR
-0.7711

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 -3.4768
Maximum Score 0.7628
Average Score -0.7752
Total Score -339.5462

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

Index Residue Chain A4D Score Classification
1 E M -1.6121 Soluble
2 V M -0.3063 Soluble
3 Q M -0.7530 Soluble
4 L M 0.0000 Buried
5 V M 0.6104 Aggregation-prone
6 E M 0.0000 Buried
7 S M -0.3656 Soluble
8 G M -0.7462 Soluble
9 G M -0.4162 Soluble
11 G M 0.2660 Aggregation-prone
12 L M 0.7627 Aggregation-prone
13 V M -0.3900 Soluble
14 R M -1.4830 Soluble
15 P M -1.7621 Soluble
16 G M -1.9009 Soluble
17 R M -2.5455 Soluble
18 S M -1.7682 Soluble
19 L M -1.1825 Soluble
20 R M -1.7289 Soluble
21 L M 0.0000 Buried
22 S M -0.3350 Soluble
23 C M 0.0000 Buried
24 T M -0.1362 Soluble
25 V M 0.0000 Buried
26 S M -0.4647 Soluble
27 G M -0.6172 Soluble
28 F M -0.4467 Soluble
29 S M -0.9447 Soluble
30 F M 0.0000 Buried
35 D M -2.9270 Soluble
36 D M -2.2871 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 0.0000 Buried
44 Q M -0.8138 Soluble
45 A M -1.3089 Soluble
46 P M -1.2291 Soluble
47 G M -1.4786 Soluble
48 K M -2.3755 Soluble
49 G M -1.6264 Soluble
50 L M 0.0000 Buried
51 E M -0.9952 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 0.0000 Buried
58 S M 0.0000 Buried
59 K M -2.5075 Soluble
60 T M -1.6437 Soluble
61 Y M -0.9646 Soluble
62 G M -1.0466 Soluble
63 G M -1.2233 Soluble
64 T M -1.0492 Soluble
65 K M -1.3853 Soluble
66 E M -1.0440 Soluble
67 Y M -0.8938 Soluble
68 A M 0.0000 Buried
69 A M -0.9476 Soluble
70 S M -0.7485 Soluble
71 V M 0.0000 Buried
72 K M -2.0669 Soluble
74 G M -1.5301 Soluble
75 R M -1.4603 Soluble
76 F M 0.0000 Buried
77 T M -1.0356 Soluble
78 I M 0.0000 Buried
79 S M -0.5296 Soluble
80 R M -1.3584 Soluble
81 D M -1.6602 Soluble
82 D M -2.2884 Soluble
83 S M -1.7338 Soluble
84 K M -2.4429 Soluble
85 N M -1.9197 Soluble
86 I M -0.9588 Soluble
87 A M 0.0000 Buried
88 Y M -0.4961 Soluble
89 L M 0.0000 Buried
90 Q M -1.0707 Soluble
91 M M 0.0000 Buried
92 N M -1.7415 Soluble
93 S M -1.6378 Soluble
94 L M 0.0000 Buried
95 K M -2.2754 Soluble
96 T M -1.6919 Soluble
97 E M -2.2455 Soluble
98 D M 0.0000 Buried
99 T M -0.6937 Soluble
100 A M 0.0000 Buried
101 V M -0.0430 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 -0.4764 Soluble
107 G M 0.0000 Buried
108 A M 0.0000 Buried
109 P M 0.0000 Buried
110 Y M -0.2313 Soluble
111 G M -0.9223 Soluble
111A G M -1.2151 Soluble
111B N M -1.8354 Soluble
112C S M -1.2902 Soluble
112B D M -1.5397 Soluble
112A Y M -0.5452 Soluble
112 Y M 0.0000 Buried
113 Y M 0.0410 Aggregation-prone
114 G M 0.0000 Buried
115 L M 0.0000 Buried
116 D M -0.9792 Soluble
117 V M -0.5453 Soluble
118 W M -0.6415 Soluble
119 G M 0.0000 Buried
120 Q M -1.4165 Soluble
121 G M 0.0000 Buried
122 T M -0.2260 Soluble
123 T M 0.0008 Aggregation-prone
124 V M 0.0000 Buried
125 T M -0.1272 Soluble
126 V M 0.0000 Buried
127 S M -0.6378 Soluble
128 S M -0.4901 Soluble
129 A M -0.3747 Soluble
130 S M -0.4739 Soluble
131 T M -0.6596 Soluble
132 K M -1.0653 Soluble
133 G M -1.3045 Soluble
134 P M 0.0000 Buried
135 S M -0.4319 Soluble
136 V M 0.0000 Buried
137 F M 0.0000 Buried
138 P M -1.2759 Soluble
139 L M 0.0000 Buried
140 A M -1.1904 Soluble
141 P M -1.0395 Soluble
142 S M -1.6421 Soluble
143 S M -1.3639 Soluble
144 K M -1.9497 Soluble
145 G M -0.8171 Soluble
146 T M -0.6336 Soluble
147 A M -0.5265 Soluble
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 -0.3110 Soluble
156 Y M 0.0000 Buried
157 F M 0.0000 Buried
158 P M -0.7142 Soluble
159 E M -0.9895 Soluble
160 P M -0.9962 Soluble
161 V M -0.7615 Soluble
162 T M -0.6265 Soluble
163 V M -0.3594 Soluble
164 S M -0.4064 Soluble
165 W M 0.0000 Buried
166 N M -0.6967 Soluble
167 S M -0.6577 Soluble
168 G M -0.5638 Soluble
169 A M -0.2284 Soluble
170 L M 0.0237 Aggregation-prone
171 T M -0.1489 Soluble
172 S M -0.1629 Soluble
173 G M -0.1517 Soluble
174 V M 0.2027 Aggregation-prone
175 H M -0.2833 Soluble
176 T M 0.0198 Aggregation-prone
177 F M 0.0000 Buried
178 P M -0.2188 Soluble
179 A M 0.2127 Aggregation-prone
180 V M 0.3056 Aggregation-prone
181 L M 0.7628 Aggregation-prone
182 Q M 0.0503 Aggregation-prone
183 S M -0.1438 Soluble
184 S M -0.2360 Soluble
185 G M -0.0445 Soluble
186 L M 0.0080 Aggregation-prone
187 Y M 0.2074 Aggregation-prone
188 S M 0.1652 Aggregation-prone
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 -0.1085 Soluble
195 V M 0.0000 Buried
196 P M -0.4313 Soluble
197 S M -0.7654 Soluble
198 S M -0.5745 Soluble
199 S M -0.5571 Soluble
200 L M -0.7011 Soluble
201 G M -0.9019 Soluble
202 T M -0.7099 Soluble
203 Q M -1.0068 Soluble
204 T M -1.1084 Soluble
205 Y M 0.0000 Buried
206 I M -1.4150 Soluble
207 C M 0.0000 Buried
208 N M -1.6283 Soluble
209 V M 0.0000 Buried
210 N M -1.9927 Soluble
211 H M 0.0000 Buried
212 K M -2.8119 Soluble
213 P M -1.7208 Soluble
214 S M -1.8266 Soluble
215 N M -2.5914 Soluble
216 T M -2.2320 Soluble
217 K M -2.7607 Soluble
218 V M -1.8686 Soluble
219 D M -2.6945 Soluble
220 K M -2.3757 Soluble
221 K M -2.6639 Soluble
222 V M 0.0000 Buried
223 E M -2.7031 Soluble
224 P M -2.1010 Soluble
225 K M -2.6174 Soluble
226 S M -1.9308 Soluble
1 D N -2.3153 Soluble
2 I N -1.9395 Soluble
3 Q N -2.0487 Soluble
4 M N 0.0000 Buried
5 T N -1.2431 Soluble
6 Q N 0.0000 Buried
7 S N -0.7682 Soluble
8 P N -0.6007 Soluble
9 S N -0.8663 Soluble
10 S N -0.8084 Soluble
11 L N -0.2899 Soluble
12 S N -0.7300 Soluble
13 A N 0.0000 Buried
14 S N -0.7346 Soluble
15 V N 0.1834 Aggregation-prone
16 G N -0.7944 Soluble
17 D N -1.5778 Soluble
18 R N -2.2487 Soluble
19 V N 0.0000 Buried
20 T N -0.4900 Soluble
21 I N 0.0000 Buried
22 T N -0.4843 Soluble
23 C N 0.0000 Buried
24 R N -2.2545 Soluble
25 T N 0.0000 Buried
26 S N -2.0897 Soluble
27 Q N -2.9980 Soluble
28 D N -3.1525 Soluble
29 V N 0.0000 Buried
36 R N -2.7092 Soluble
37 G N -1.4551 Soluble
38 A N 0.0000 Buried
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 -1.5178 Soluble
46 P N -1.3912 Soluble
47 G N -1.6399 Soluble
48 K N -2.5716 Soluble
49 A N -1.6712 Soluble
50 P N 0.0000 Buried
51 K N -1.7517 Soluble
52 L N 0.0000 Buried
53 L N 0.0000 Buried
54 I N 0.0000 Buried
55 F N 0.0294 Aggregation-prone
56 D N -0.6369 Soluble
57 A N -0.6647 Soluble
65 S N -0.3974 Soluble
66 S N -0.0993 Soluble
67 L N 0.2416 Aggregation-prone
68 E N -0.4088 Soluble
69 T N -0.2624 Soluble
70 G N -0.4375 Soluble
71 V N -0.2911 Soluble
72 P N -0.2807 Soluble
74 S N -0.3718 Soluble
75 R N -0.7826 Soluble
76 F N 0.0000 Buried
77 S N -0.3030 Soluble
78 G N -0.3117 Soluble
79 S N -0.4429 Soluble
80 G N -0.4850 Soluble
83 S N -1.1003 Soluble
84 G N -1.8201 Soluble
85 T N -1.6157 Soluble
86 V N -0.5323 Soluble
87 F N 0.0000 Buried
88 T N -0.3716 Soluble
89 L N 0.0000 Buried
90 T N -0.6019 Soluble
91 I N 0.0000 Buried
92 S N -1.3414 Soluble
93 S N -1.1382 Soluble
94 L N 0.0000 Buried
95 Q N -0.8868 Soluble
96 P N -0.7286 Soluble
97 E N -1.4470 Soluble
98 D N 0.0000 Buried
99 F N -0.2985 Soluble
100 A N 0.0000 Buried
101 A N -0.6648 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 -1.1464 Soluble
109 D N -1.6005 Soluble
114 F N -0.7303 Soluble
115 P N -0.6101 Soluble
116 F N 0.0000 Buried
117 T N -0.7584 Soluble
118 F N -0.4252 Soluble
119 G N 0.0000 Buried
120 Q N -1.6929 Soluble
121 G N -1.1884 Soluble
122 T N 0.0000 Buried
123 R N -1.1387 Soluble
124 L N 0.0000 Buried
125 E N 0.0000 Buried
126 I N -0.4481 Soluble
127 K N -1.8747 Soluble
128 R N -2.2698 Soluble
129 T N -0.7810 Soluble
130 V N 0.0500 Aggregation-prone
131 A N -0.0621 Soluble
132 A N -0.1375 Soluble
133 P N 0.0000 Buried
134 S N -0.0392 Soluble
135 V N 0.0000 Buried
136 F N 0.0916 Aggregation-prone
137 I N 0.0101 Aggregation-prone
138 F N 0.0000 Buried
139 P N -0.8061 Soluble
140 P N 0.0000 Buried
141 S N -1.8797 Soluble
142 D N -3.0569 Soluble
143 E N -3.2301 Soluble
144 Q N 0.0000 Buried
145 L N -2.3072 Soluble
146 K N -2.8744 Soluble
147 S N -1.8243 Soluble
148 G N -1.2785 Soluble
149 T N -0.8048 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 0.0000 Buried
158 N N -0.8072 Soluble
159 F N 0.0000 Buried
160 Y N 0.0000 Buried
161 P N -2.0609 Soluble
162 R N -3.2704 Soluble
163 E N -3.2807 Soluble
164 A N -2.3768 Soluble
165 K N -2.4583 Soluble
166 V N -1.0852 Soluble
167 Q N -0.6593 Soluble
168 W N 0.0000 Buried
169 K N -0.6793 Soluble
170 V N 0.0000 Buried
171 D N -1.4013 Soluble
172 N N -1.1973 Soluble
173 A N -0.1933 Soluble
174 L N 0.6959 Aggregation-prone
175 Q N -0.2095 Soluble
176 S N -0.5732 Soluble
177 G N -1.0006 Soluble
178 N N -1.0153 Soluble
179 S N -1.3047 Soluble
180 Q N -1.6664 Soluble
181 E N -1.7829 Soluble
182 S N -0.7499 Soluble
183 V N -0.7519 Soluble
184 T N -1.1562 Soluble
185 E N -2.2439 Soluble
186 Q N -1.8869 Soluble
187 D N -2.0641 Soluble
188 S N -1.8228 Soluble
189 K N -2.4178 Soluble
190 D N -2.2164 Soluble
191 S N -2.0563 Soluble
192 T N -1.6060 Soluble
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 -0.7603 Soluble
199 L N 0.0000 Buried
200 T N -0.3896 Soluble
201 L N -0.5697 Soluble
202 S N -1.1462 Soluble
203 K N -2.0437 Soluble
204 A N -1.7910 Soluble
205 D N -2.2600 Soluble
206 Y N 0.0000 Buried
207 E N -3.4182 Soluble
208 K N -3.4768 Soluble
209 H N -2.9015 Soluble
210 K N -3.1202 Soluble
211 V N -1.6614 Soluble
212 Y N 0.0000 Buried
213 A N 0.0000 Buried
214 C N 0.0000 Buried
215 E N -0.8623 Soluble
216 V N 0.0000 Buried
217 T N -1.1980 Soluble
218 H N 0.0000 Buried
219 Q N -1.8088 Soluble
220 G N -0.5123 Soluble
221 L N -0.2747 Soluble
222 S N -0.4893 Soluble
223 S N -0.4041 Soluble
224 P N -0.5733 Soluble
225 V N 0.0149 Aggregation-prone
226 T N -0.5129 Soluble
227 K N -0.8787 Soluble
228 S N -0.8720 Soluble
229 F N 0.0000 Buried
230 N N -2.6998 Soluble
231 R N -3.0307 Soluble
232 G N -2.4340 Soluble
233 E N -2.9380 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
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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 -0.845 1.7235 CSV PDB
4.5 -0.893 1.5925 CSV PDB
5.0 -0.9485 1.517 CSV PDB
5.5 -1.0012 1.4638 CSV PDB
6.0 -1.0387 1.4232 CSV PDB
6.5 -1.0516 1.3999 CSV PDB
7.0 -1.0396 1.39 CSV PDB
7.5 -1.0112 1.3865 CSV PDB
8.0 -0.9736 1.3854 CSV PDB
8.5 -0.9288 1.4079 CSV PDB
9.0 -0.8763 1.4825 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH