Otilimab / 5d72

A4DAB198_5d72_H_L | Source PDB: 5d72 | Chains: H, L | Done
97.74
Yes
10 Å
Yes
Avg A4D Score
-0.7
Max Score
1.872
Min Score
-3.2244
Total Score
-293.29
Score CDR
-0.4261
Score non-CDR
-0.7313

Calculation Parameters

Chain Sequence(s) QVQLVESGGGLVQPGGSLRLSCAASGFTFSSYWMNWVRQAPGKGLEWVSGIENKYAGGATYYAASVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGFGTDFWGQGTLVTVSSASTKGPSVFPLAPSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKDIELTQPPSVSVAPGQTARISCSGDSIGKKYAYWYQQKPGQAPVLVIYKKRPSGIPERFSGSNSGNTATLTISGTQAEDEADYYCSSWDSTGLVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP input.pdb
Selected Chain(s) H (Heavy), L (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 -3.2244
Maximum Score 1.872
Average Score -0.7
Total Score -293.2909

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

Index Residue Chain A4D Score Classification
1 Q H -1.4311 Soluble
2 V H -0.6941 Soluble
3 Q H -0.6715 Soluble
4 L H 0.0000 Buried
5 V H 1.2163 Aggregation-prone
6 E H 0.0000 Buried
7 S H -0.2672 Soluble
8 G H -0.7608 Soluble
9 G H -0.5589 Soluble
11 G H -0.3324 Soluble
12 L H -0.1029 Soluble
13 V H 0.0000 Buried
14 Q H -1.6636 Soluble
15 P H -1.6828 Soluble
16 G H -1.4199 Soluble
17 G H -1.1277 Soluble
18 S H -1.3086 Soluble
19 L H -1.0518 Soluble
20 R H -1.9861 Soluble
21 L H 0.0000 Buried
22 S H -0.2116 Soluble
23 C H 0.0000 Buried
24 A H 0.0040 Aggregation-prone
25 A H 0.0000 Buried
26 S H -0.7923 Soluble
27 G H -0.9659 Soluble
28 F H -0.2750 Soluble
29 T H -0.0983 Soluble
30 F H 0.0000 Buried
35 S H -0.9306 Soluble
36 S H -0.1872 Soluble
37 Y H 0.5362 Aggregation-prone
38 W H 0.4047 Aggregation-prone
39 M H 0.0000 Buried
40 N H 0.0000 Buried
41 W H 0.0000 Buried
42 V H 0.0000 Buried
43 R H 0.0000 Buried
44 Q H -0.7530 Soluble
45 A H -1.1573 Soluble
46 P H -0.9686 Soluble
47 G H -1.4661 Soluble
48 K H -2.2721 Soluble
49 G H -1.4552 Soluble
50 L H 0.0000 Buried
51 E H -0.8977 Soluble
52 W H 0.0000 Buried
53 V H 0.0000 Buried
54 S H 0.0000 Buried
55 G H 0.0000 Buried
56 I H 0.0000 Buried
57 E H -0.2236 Soluble
58 N H -0.7988 Soluble
59 K H -1.3447 Soluble
60 Y H 0.3085 Aggregation-prone
61 A H -0.1675 Soluble
62 G H -0.7621 Soluble
63 G H -0.6769 Soluble
64 A H -0.2659 Soluble
65 T H 0.3183 Aggregation-prone
66 Y H 0.7563 Aggregation-prone
67 Y H 0.0426 Aggregation-prone
68 A H -0.3397 Soluble
69 A H -0.5408 Soluble
70 S H -0.9467 Soluble
71 V H 0.0000 Buried
72 K H -1.8740 Soluble
74 G H -1.5791 Soluble
75 R H -1.4867 Soluble
76 F H 0.0000 Buried
77 T H -0.7100 Soluble
78 I H 0.0000 Buried
79 S H -0.3630 Soluble
80 R H -1.0469 Soluble
81 D H -1.7022 Soluble
82 N H -2.0483 Soluble
83 S H -1.6484 Soluble
84 K H -2.4458 Soluble
85 N H -1.7530 Soluble
86 T H -0.9544 Soluble
87 L H 0.0000 Buried
88 Y H -0.3247 Soluble
89 L H 0.0000 Buried
90 Q H -1.1294 Soluble
91 M H 0.0000 Buried
92 N H -1.5434 Soluble
93 S H -1.2995 Soluble
94 L H 0.0000 Buried
95 R H -2.2087 Soluble
96 A H -1.6715 Soluble
97 E H -2.2033 Soluble
98 D H 0.0000 Buried
99 T H -0.7238 Soluble
100 A H 0.0000 Buried
101 V H 0.2256 Aggregation-prone
102 Y H 0.0000 Buried
103 Y H 0.0000 Buried
104 C H 0.0000 Buried
105 A H 0.0000 Buried
106 R H 0.0000 Buried
107 G H 0.0000 Buried
108 F H 1.8720 Aggregation-prone
114 G H 0.7000 Aggregation-prone
115 T H 0.0000 Buried
116 D H 0.7602 Aggregation-prone
117 F H 0.8923 Aggregation-prone
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.1439 Soluble
121 G H -0.5171 Soluble
122 T H -0.0028 Soluble
123 L H 0.1905 Aggregation-prone
124 V H 0.0000 Buried
125 T H -0.4180 Soluble
126 V H 0.0000 Buried
127 S H -0.9817 Soluble
128 S H -0.7319 Soluble
129 A H -0.4802 Soluble
130 S H -0.6294 Soluble
131 T H -1.0131 Soluble
132 K H -1.4412 Soluble
133 G H -1.5248 Soluble
134 P H -0.6286 Soluble
135 S H -0.2825 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -0.9706 Soluble
139 L H 0.0000 Buried
140 A H -1.1717 Soluble
141 P H -0.8036 Soluble
142 S H -0.5763 Soluble
143 G H -0.7612 Soluble
144 G H -0.8689 Soluble
145 T H -0.6224 Soluble
146 A H -0.3614 Soluble
147 A H -0.1281 Soluble
148 L H 0.0000 Buried
149 G H 0.0000 Buried
150 C H 0.0000 Buried
151 L H 0.0000 Buried
152 V H 0.0000 Buried
153 K H 0.0000 Buried
154 D H -0.2575 Soluble
155 Y H 0.0000 Buried
156 F H -0.1948 Soluble
157 P H 0.0000 Buried
158 E H -0.4621 Soluble
159 P H -0.7100 Soluble
160 V H -0.7247 Soluble
161 T H -0.6285 Soluble
162 V H -0.1841 Soluble
163 S H -0.3795 Soluble
164 W H 0.0000 Buried
165 N H -0.6981 Soluble
166 S H -0.6426 Soluble
167 G H -0.5657 Soluble
168 A H -0.2280 Soluble
169 L H 0.0135 Aggregation-prone
170 T H -0.2204 Soluble
171 S H -0.3067 Soluble
172 G H -0.4310 Soluble
173 V H 0.0173 Aggregation-prone
174 H H -0.2806 Soluble
175 T H -0.1185 Soluble
176 F H 0.0000 Buried
177 P H -0.0813 Soluble
178 A H 0.2265 Aggregation-prone
179 V H 0.0000 Buried
180 L H 1.1672 Aggregation-prone
181 Q H 0.2905 Aggregation-prone
182 S H -0.1533 Soluble
183 S H -0.1797 Soluble
184 G H 0.1021 Aggregation-prone
185 L H 0.1685 Aggregation-prone
186 Y H 0.4656 Aggregation-prone
187 S H 0.0000 Buried
188 L H 0.0000 Buried
189 S H 0.0000 Buried
190 S H 0.0000 Buried
191 V H 0.0000 Buried
192 V H 0.0000 Buried
193 T H -0.2718 Soluble
194 V H 0.0000 Buried
195 P H -0.6772 Soluble
196 S H -0.6246 Soluble
197 S H -0.6651 Soluble
198 S H -0.7196 Soluble
199 L H -0.9330 Soluble
200 G H -1.1712 Soluble
201 T H -0.8733 Soluble
202 Q H -1.5325 Soluble
203 T H -1.1597 Soluble
204 Y H 0.0000 Buried
205 I H -1.0070 Soluble
206 C H 0.0000 Buried
207 N H -1.3060 Soluble
208 V H 0.0000 Buried
209 N H -2.0418 Soluble
210 H H 0.0000 Buried
211 K H -2.8002 Soluble
212 P H -1.6012 Soluble
213 S H -1.8707 Soluble
214 N H -2.5565 Soluble
215 T H -2.1359 Soluble
216 K H -2.6877 Soluble
217 V H -1.4052 Soluble
218 D H -2.0293 Soluble
219 K H -1.7933 Soluble
220 K H -1.9949 Soluble
221 V H 0.0000 Buried
222 E H -2.7817 Soluble
223 P H -1.9899 Soluble
224 K H -2.3036 Soluble
1 D L -2.3626 Soluble
2 I L -1.9702 Soluble
3 E L -2.4510 Soluble
4 L L 0.0000 Buried
5 T L -0.8692 Soluble
6 Q L 0.0000 Buried
7 P L -0.5873 Soluble
8 P L -0.9270 Soluble
9 S L -0.9860 Soluble
11 V L -0.7536 Soluble
12 S L -0.5473 Soluble
13 V L 0.0000 Buried
14 A L -0.5779 Soluble
15 P L -1.1810 Soluble
16 G L -1.5009 Soluble
17 Q L -1.9160 Soluble
18 T L -1.3812 Soluble
19 A L 0.0000 Buried
20 R L -2.0386 Soluble
21 I L 0.0000 Buried
22 S L -0.7837 Soluble
23 C L 0.0000 Buried
24 S L -1.3486 Soluble
25 G L -2.0387 Soluble
26 D L -3.0673 Soluble
27 S L -2.1876 Soluble
28 I L 0.0000 Buried
29 G L -2.3054 Soluble
36 K L -2.5636 Soluble
37 K L -1.4861 Soluble
38 Y L -0.5147 Soluble
39 A L 0.0000 Buried
40 Y L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L -0.2684 Soluble
44 Q L 0.0000 Buried
45 K L -1.6676 Soluble
46 P L -1.3182 Soluble
47 G L -1.4995 Soluble
48 Q L -1.7393 Soluble
49 A L 0.0000 Buried
50 P L 0.0000 Buried
51 V L 1.0807 Aggregation-prone
52 L L 0.0000 Buried
53 V L 0.3430 Aggregation-prone
54 I L 0.0000 Buried
55 Y L -0.7377 Soluble
56 K L -2.4926 Soluble
65 K L -3.2244 Soluble
67 R L -3.1412 Soluble
68 P L -1.9289 Soluble
69 S L -1.1008 Soluble
70 G L -0.2456 Soluble
71 I L 1.0515 Aggregation-prone
72 P L -0.4949 Soluble
74 E L -1.7366 Soluble
75 R L -1.2252 Soluble
76 F L -0.8475 Soluble
77 S L -0.9161 Soluble
78 G L -0.9039 Soluble
79 S L -0.7738 Soluble
80 N L -1.5318 Soluble
83 S L -1.5365 Soluble
84 G L -2.0625 Soluble
85 N L -2.6522 Soluble
86 T L -1.4198 Soluble
87 A L 0.0000 Buried
88 T L -0.9218 Soluble
89 L L 0.0000 Buried
90 T L -1.2049 Soluble
91 I L 0.0000 Buried
92 S L -1.5249 Soluble
93 G L -1.4871 Soluble
94 T L 0.0000 Buried
95 Q L -1.6860 Soluble
96 A L -1.2042 Soluble
97 E L -1.8389 Soluble
98 D L 0.0000 Buried
99 E L -1.3556 Soluble
100 A L 0.0000 Buried
101 D L -1.4885 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 S L 0.0000 Buried
106 S L 0.0000 Buried
107 W L 0.1002 Aggregation-prone
108 D L -1.0084 Soluble
109 S L -0.7827 Soluble
114 T L -0.4060 Soluble
115 G L -0.1078 Soluble
116 L L 0.0000 Buried
117 V L -0.4386 Soluble
118 F L -0.2596 Soluble
119 G L 0.0000 Buried
120 G L -1.1181 Soluble
121 G L -1.1237 Soluble
122 T L 0.0000 Buried
123 K L -2.1146 Soluble
124 L L 0.0000 Buried
125 T L -0.5141 Soluble
126 V L 0.0000 Buried
127 L L 0.5559 Aggregation-prone
128 G L -0.4260 Soluble
129 Q L -0.7960 Soluble
130 P L -1.1732 Soluble
131 K L -2.2730 Soluble
132 A L -1.3160 Soluble
133 A L -0.8139 Soluble
134 P L 0.0000 Buried
135 S L -0.6599 Soluble
136 V L 0.0000 Buried
137 T L -0.5204 Soluble
138 L L 0.0000 Buried
139 F L 0.0000 Buried
140 P L -0.1012 Soluble
141 P L -0.4312 Soluble
142 S L -1.0411 Soluble
143 S L -1.5100 Soluble
144 E L -2.2623 Soluble
145 E L 0.0000 Buried
146 L L -1.7405 Soluble
147 Q L -2.1777 Soluble
148 A L -1.6672 Soluble
149 N L -2.3104 Soluble
150 K L -1.9658 Soluble
151 A L 0.0000 Buried
152 T L 0.0000 Buried
153 L L 0.0000 Buried
154 V L 0.0000 Buried
155 C L 0.0000 Buried
156 L L 0.0000 Buried
157 I L 0.0000 Buried
158 S L -0.5949 Soluble
159 D L -1.3365 Soluble
160 F L 0.0000 Buried
161 Y L -1.1372 Soluble
162 P L -0.8839 Soluble
163 G L -0.4645 Soluble
164 A L -0.1798 Soluble
165 V L -0.0665 Soluble
166 T L -0.0565 Soluble
167 V L 0.0318 Aggregation-prone
168 A L -0.4668 Soluble
169 W L 0.0000 Buried
170 K L -1.0466 Soluble
171 A L -1.1162 Soluble
172 D L -1.4008 Soluble
173 S L -0.9224 Soluble
174 S L -0.8409 Soluble
175 P L -0.9645 Soluble
176 V L -0.9456 Soluble
177 K L -1.7315 Soluble
178 A L -0.8558 Soluble
179 G L -0.6468 Soluble
180 V L -0.4602 Soluble
181 E L -0.4432 Soluble
182 T L -0.0182 Soluble
183 T L 0.0252 Aggregation-prone
184 T L -0.0889 Soluble
185 P L -0.1889 Soluble
186 S L -0.4491 Soluble
187 K L -1.1435 Soluble
188 Q L -1.0067 Soluble
189 S L -1.0389 Soluble
190 N L -1.5169 Soluble
191 N L -1.5024 Soluble
192 K L -1.5822 Soluble
193 Y L -0.6332 Soluble
194 A L 0.0000 Buried
195 A L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 Y L 0.0000 Buried
199 L L 0.0000 Buried
200 S L -0.5190 Soluble
201 L L 0.0000 Buried
202 T L -1.6231 Soluble
203 P L -2.2930 Soluble
204 E L -3.1230 Soluble
205 Q L -2.5308 Soluble
206 W L 0.0000 Buried
207 K L -3.1896 Soluble
208 S L -2.4709 Soluble
209 H L -2.4700 Soluble
210 R L -2.6512 Soluble
211 S L -1.5552 Soluble
212 Y L 0.0000 Buried
213 S L -1.0904 Soluble
214 C L 0.0000 Buried
215 Q L -1.0764 Soluble
216 V L 0.0000 Buried
217 T L -0.6941 Soluble
218 H L 0.0000 Buried
219 E L -2.2798 Soluble
220 G L -1.4411 Soluble
221 S L -0.9401 Soluble
222 T L -0.7968 Soluble
223 V L -0.8655 Soluble
224 E L -2.2716 Soluble
225 K L -1.9535 Soluble
226 T L -1.0508 Soluble
227 V L -0.3870 Soluble
228 A L -0.8357 Soluble
229 P L -1.0250 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 -0.6134 4.4195 CSV PDB
4.5 -0.6475 4.4025 CSV PDB
5.0 -0.6872 4.3834 CSV PDB
5.5 -0.7232 4.3635 CSV PDB
6.0 -0.7444 4.3438 CSV PDB
6.5 -0.741 4.3254 CSV PDB
7.0 -0.7128 4.3089 CSV PDB
7.5 -0.6683 4.2944 CSV PDB
8.0 -0.6153 4.2824 CSV PDB
8.5 -0.5569 4.2739 CSV PDB
9.0 -0.4943 4.2694 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH