Otilimab / 5d72

A4DAB198_5d72_M_N | Source PDB: 5d72 | Chains: M, N | Done
97.74
Yes
10 Å
Yes
Avg A4D Score
-0.6395
Max Score
1.8467
Min Score
-3.1983
Total Score
-264.75
Score CDR
-0.4375
Score non-CDR
-0.6629

Calculation Parameters

Chain Sequence(s) QVQLVESGGGLVQPGGSLRLSCAASGFTFSSYWMNWVRQAPGKGLEWVSGIENKYAGGATYYAASVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARGFGTDFWGQGTLVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIELTQPPSVSVAPGQTARISCSGDSIGKKYAYWYQQKPGQAPVLVIYKKRERFSGSNSGNTATLTISGTQAEDEADYYCSSWDSTGLVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAP 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 -3.1983
Maximum Score 1.8467
Average Score -0.6395
Total Score -264.7487

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

Index Residue Chain A4D Score Classification
1 Q M -1.0176 Soluble
2 V M 0.0861 Aggregation-prone
3 Q M -0.1904 Soluble
4 L M 0.0000 Buried
5 V M 0.8559 Aggregation-prone
6 E M 0.0000 Buried
7 S M -0.3670 Soluble
8 G M -0.7120 Soluble
9 G M -0.5337 Soluble
11 G M -0.3263 Soluble
12 L M -0.1021 Soluble
13 V M 0.0000 Buried
14 Q M -1.6046 Soluble
15 P M -1.5793 Soluble
16 G M -1.3499 Soluble
17 G M -1.1207 Soluble
18 S M -1.1514 Soluble
19 L M -1.1175 Soluble
20 R M -1.9507 Soluble
21 L M 0.0000 Buried
22 S M -0.2958 Soluble
23 C M 0.0000 Buried
24 A M -0.0536 Soluble
25 A M 0.0000 Buried
26 S M -0.5382 Soluble
27 G M -0.5729 Soluble
28 F M -0.0566 Soluble
29 T M -0.1578 Soluble
30 F M 0.0000 Buried
35 S M -1.0399 Soluble
36 S M -0.2983 Soluble
37 Y M 0.3790 Aggregation-prone
38 W M 0.0000 Buried
39 M M 0.0000 Buried
40 N 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 -0.7788 Soluble
45 A M -1.1585 Soluble
46 P M -0.9617 Soluble
47 G M -1.4572 Soluble
48 K M -2.2600 Soluble
49 G M -1.4094 Soluble
50 L M 0.0000 Buried
51 E M -0.9438 Soluble
52 W M 0.0000 Buried
53 V M 0.0000 Buried
54 S M 0.0000 Buried
55 G M 0.0000 Buried
56 I M 0.0000 Buried
57 E M -0.3447 Soluble
58 N M -0.9636 Soluble
59 K M -1.4900 Soluble
60 Y M 0.2479 Aggregation-prone
61 A M -0.2001 Soluble
62 G M -0.7531 Soluble
63 G M -0.7813 Soluble
64 A M -0.3295 Soluble
65 T M 0.2468 Aggregation-prone
66 Y M 0.6686 Aggregation-prone
67 Y M -0.0341 Soluble
68 A M -0.3993 Soluble
69 A M -0.5744 Soluble
70 S M -0.9695 Soluble
71 V M 0.0000 Buried
72 K M -1.8854 Soluble
74 G M -1.5371 Soluble
75 R M -1.3584 Soluble
76 F M 0.0000 Buried
77 T M -0.6674 Soluble
78 I M 0.0000 Buried
79 S M -0.3427 Soluble
80 R M -0.9886 Soluble
81 D M -1.5592 Soluble
82 N M -2.0885 Soluble
83 S M -1.6580 Soluble
84 K M -2.4169 Soluble
85 N M -1.7970 Soluble
86 T M -0.9676 Soluble
87 L M 0.0000 Buried
88 Y M -0.2829 Soluble
89 L M 0.0000 Buried
90 Q M -1.0561 Soluble
91 M M 0.0000 Buried
92 N M -1.3578 Soluble
93 S M -1.1937 Soluble
94 L M 0.0000 Buried
95 R M -2.0493 Soluble
96 A M -1.6058 Soluble
97 E M -2.1620 Soluble
98 D M 0.0000 Buried
99 T M -0.6961 Soluble
100 A M 0.0000 Buried
101 V M 0.2420 Aggregation-prone
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 A M 0.0000 Buried
106 R M 0.0000 Buried
107 G M 0.0000 Buried
108 F M 1.8467 Aggregation-prone
114 G M 0.7774 Aggregation-prone
115 T M 0.0000 Buried
116 D M 0.8703 Aggregation-prone
117 F M 0.9566 Aggregation-prone
118 W M 0.5093 Aggregation-prone
119 G M 0.0000 Buried
120 Q M -1.0411 Soluble
121 G M -0.4279 Soluble
122 T M -0.0428 Soluble
123 L M 0.1633 Aggregation-prone
124 V M 0.0000 Buried
125 T M -0.3857 Soluble
126 V M 0.0000 Buried
127 S M -0.8957 Soluble
128 S M -0.7311 Soluble
129 A M -0.4714 Soluble
130 S M -0.5895 Soluble
131 T M -0.6938 Soluble
132 K M -1.2672 Soluble
133 G M -1.4783 Soluble
134 P M -0.6462 Soluble
135 S M -0.4668 Soluble
136 V M 0.0000 Buried
137 F M 0.0000 Buried
138 P M 0.0000 Buried
139 L M 0.0000 Buried
140 A M -0.8445 Soluble
141 P M -0.5534 Soluble
142 S M -0.3863 Soluble
143 S M -0.4372 Soluble
144 G M -0.7658 Soluble
145 G M -0.7790 Soluble
146 T M -0.5670 Soluble
147 A M -0.3947 Soluble
148 A M -0.1455 Soluble
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 -0.3644 Soluble
156 Y M 0.0000 Buried
157 F M -0.1676 Soluble
158 P M 0.0000 Buried
159 E M -0.5731 Soluble
160 P M -0.7512 Soluble
161 V M -0.7637 Soluble
162 T M -0.6519 Soluble
163 V M -0.3813 Soluble
164 S M -0.3722 Soluble
165 W M 0.0000 Buried
166 N M -0.6597 Soluble
167 S M -0.6101 Soluble
168 G M -0.5805 Soluble
169 A M -0.2454 Soluble
170 L M 0.0225 Aggregation-prone
171 T M -0.1977 Soluble
172 S M -0.2707 Soluble
173 G M -0.3389 Soluble
174 V M 0.1785 Aggregation-prone
175 H M -0.0790 Soluble
176 T M 0.0352 Aggregation-prone
177 F M 0.0000 Buried
178 P M -0.0460 Soluble
179 A M 0.2471 Aggregation-prone
180 V M 0.0000 Buried
181 L M 1.1738 Aggregation-prone
182 Q M 0.2686 Aggregation-prone
183 S M -0.1283 Soluble
184 S M -0.1955 Soluble
185 G M 0.0694 Aggregation-prone
186 L M 0.2450 Aggregation-prone
187 Y M 0.4286 Aggregation-prone
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 0.1605 Aggregation-prone
193 V M 0.0000 Buried
194 T M -0.2008 Soluble
195 V M 0.0000 Buried
196 P M -0.5086 Soluble
197 S M -0.5580 Soluble
198 S M -0.5567 Soluble
199 S M -0.5998 Soluble
200 L M -0.7616 Soluble
201 G M -1.0668 Soluble
202 T M -0.7454 Soluble
203 Q M -1.2820 Soluble
204 T M -1.1320 Soluble
205 Y M 0.0000 Buried
206 I M -1.2039 Soluble
207 C M 0.0000 Buried
208 N M -1.4329 Soluble
209 V M 0.0000 Buried
210 N M -2.1286 Soluble
211 H M 0.0000 Buried
212 K M -2.8456 Soluble
213 P M -1.5946 Soluble
214 S M -1.8457 Soluble
215 N M -2.6380 Soluble
216 T M -2.1838 Soluble
217 K M -2.6722 Soluble
218 V M -1.4920 Soluble
219 D M -2.2026 Soluble
220 K M -2.1180 Soluble
221 K M -2.5849 Soluble
222 V M 0.0000 Buried
223 E M -2.4936 Soluble
224 P M -1.1828 Soluble
1 D N -2.4527 Soluble
2 I N 0.0000 Buried
3 E N -2.4961 Soluble
4 L N 0.0000 Buried
5 T N -0.7062 Soluble
6 Q N 0.0000 Buried
7 P N -0.5672 Soluble
8 P N -0.9119 Soluble
9 S N -0.9243 Soluble
11 V N -0.6912 Soluble
12 S N -0.1757 Soluble
13 V N -0.1376 Soluble
14 A N -0.0851 Soluble
15 P N -0.8915 Soluble
16 G N -1.3079 Soluble
17 Q N -1.6365 Soluble
18 T N -1.2744 Soluble
19 A N 0.0000 Buried
20 R N -2.0188 Soluble
21 I N 0.0000 Buried
22 S N -0.7550 Soluble
23 C N 0.0000 Buried
24 S N -1.3769 Soluble
25 G N -2.2598 Soluble
26 D N -3.1983 Soluble
27 S N -2.3399 Soluble
28 I N 0.0000 Buried
29 G N -2.3020 Soluble
36 K N -2.5836 Soluble
37 K N -1.6641 Soluble
38 Y N -0.5046 Soluble
39 A N 0.0000 Buried
40 Y N 0.0000 Buried
41 W N 0.0000 Buried
42 Y N 0.0000 Buried
43 Q N 0.0069 Aggregation-prone
44 Q N 0.0000 Buried
45 K N -1.3517 Soluble
46 P N -1.0837 Soluble
47 G N -1.2179 Soluble
48 Q N -1.1131 Soluble
49 A N -0.4473 Soluble
50 P N 0.0000 Buried
51 V N 1.4777 Aggregation-prone
52 L N 1.1829 Aggregation-prone
53 V N 0.8137 Aggregation-prone
54 I N 0.0000 Buried
55 Y N -0.2547 Soluble
56 K N -2.2738 Soluble
65 K N -3.0474 Soluble
73 R N -2.8512 Soluble
74 E N -2.0903 Soluble
75 R N -1.4982 Soluble
76 F N -0.5232 Soluble
77 S N -0.8375 Soluble
78 G N -0.8218 Soluble
79 S N -0.7157 Soluble
80 N N -1.4346 Soluble
83 S N -1.5220 Soluble
84 G N -2.0999 Soluble
85 N N -2.6683 Soluble
86 T N -1.4057 Soluble
87 A N 0.0000 Buried
88 T N -0.8735 Soluble
89 L N 0.0000 Buried
90 T N -1.0292 Soluble
91 I N 0.0000 Buried
92 S N -1.3973 Soluble
93 G N -1.0947 Soluble
94 T N 0.0000 Buried
95 Q N -1.4380 Soluble
96 A N -1.2356 Soluble
97 E N -2.2883 Soluble
98 D N 0.0000 Buried
99 E N 0.0000 Buried
100 A N 0.0000 Buried
101 D N -1.2344 Soluble
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
104 C N 0.0000 Buried
105 S N 0.0000 Buried
106 S N 0.0000 Buried
107 W N 0.1609 Aggregation-prone
108 D N -0.9890 Soluble
109 S N -0.7232 Soluble
114 T N -0.3549 Soluble
115 G N -0.1202 Soluble
116 L N 0.0000 Buried
117 V N -0.4097 Soluble
118 F N -0.2480 Soluble
119 G N 0.0000 Buried
120 G N -1.0685 Soluble
121 G N 0.0000 Buried
122 T N 0.0000 Buried
123 K N -1.9732 Soluble
124 L N 0.0000 Buried
125 T N -0.1889 Soluble
126 V N 0.0000 Buried
127 L N 1.1476 Aggregation-prone
128 G N 0.0006 Aggregation-prone
129 Q N -0.5695 Soluble
130 P N -1.0359 Soluble
131 K N -2.0638 Soluble
132 A N -1.2835 Soluble
133 A N -0.7267 Soluble
134 P N 0.0000 Buried
135 S N -0.5527 Soluble
136 V N 0.0000 Buried
137 T N -0.3808 Soluble
138 L N -0.3569 Soluble
139 F N 0.0000 Buried
140 P N -0.0976 Soluble
141 P N 0.0000 Buried
142 S N -0.8892 Soluble
143 S N -1.4947 Soluble
144 E N -2.4234 Soluble
145 E N 0.0000 Buried
146 L N -1.7012 Soluble
147 Q N -2.3109 Soluble
148 A N -1.8758 Soluble
149 N N -2.5505 Soluble
150 K N -2.3499 Soluble
151 A N 0.0000 Buried
152 T N 0.0000 Buried
153 L N 0.0000 Buried
154 V N 0.0000 Buried
155 C N 0.0000 Buried
156 L N 0.0000 Buried
157 I N 0.0000 Buried
158 S N -0.5490 Soluble
159 D N -1.1418 Soluble
160 F N 0.0000 Buried
161 Y N -0.9696 Soluble
162 P N -0.8320 Soluble
163 G N -0.2044 Soluble
164 A N -0.1676 Soluble
165 V N -0.0902 Soluble
166 T N -0.1031 Soluble
167 V N 0.0607 Aggregation-prone
168 A N -0.4346 Soluble
169 W N 0.0000 Buried
170 K N -0.9162 Soluble
171 A N 0.0000 Buried
172 D N -1.2710 Soluble
173 S N -0.8611 Soluble
174 S N -0.5528 Soluble
175 P N -0.8566 Soluble
176 V N -0.8377 Soluble
177 K N -1.6242 Soluble
178 A N -0.7472 Soluble
179 G N -0.5021 Soluble
180 V N -0.2552 Soluble
181 E N -0.2327 Soluble
182 T N 0.0692 Aggregation-prone
183 T N 0.0459 Aggregation-prone
184 T N -0.1076 Soluble
185 P N -0.2013 Soluble
186 S N -0.3727 Soluble
187 K N -0.9198 Soluble
188 Q N -1.1128 Soluble
189 S N -1.3415 Soluble
190 N N -1.7927 Soluble
191 N N 0.0000 Buried
192 K N -1.1941 Soluble
193 Y N -0.4879 Soluble
194 A N 0.0000 Buried
195 A N 0.0000 Buried
196 S N 0.0000 Buried
197 S N 0.0000 Buried
198 Y N 0.0000 Buried
199 L N 0.0000 Buried
200 S N -0.3938 Soluble
201 L N -0.6997 Soluble
202 T N -1.6950 Soluble
203 P N -2.3408 Soluble
204 E N -3.1411 Soluble
205 Q N -2.3512 Soluble
206 W N 0.0000 Buried
207 K N -3.1611 Soluble
208 S N -2.4762 Soluble
209 H N -2.4618 Soluble
210 R N -2.5568 Soluble
211 S N -1.5501 Soluble
212 Y N 0.0000 Buried
213 S N -0.9667 Soluble
214 C N 0.0000 Buried
215 Q N -1.0046 Soluble
216 V N 0.0000 Buried
217 T N -0.7065 Soluble
218 H N 0.0000 Buried
219 E N -2.2723 Soluble
220 G N -1.4400 Soluble
221 S N -0.8998 Soluble
222 T N -0.7639 Soluble
223 V N -0.7510 Soluble
224 E N -2.1232 Soluble
225 K N -1.6898 Soluble
226 T N -0.9312 Soluble
227 V N -0.4106 Soluble
228 A N -0.9001 Soluble
229 P N -1.1434 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 -0.5937 4.3174 CSV PDB
4.5 -0.6251 4.3019 CSV PDB
5.0 -0.6611 4.2842 CSV PDB
5.5 -0.6931 4.2651 CSV PDB
6.0 -0.7101 4.2456 CSV PDB
6.5 -0.7034 4.2271 CSV PDB
7.0 -0.6742 4.2108 CSV PDB
7.5 -0.6303 4.1977 CSV PDB
8.0 -0.5786 4.1884 CSV PDB
8.5 -0.5218 4.1832 CSV PDB
9.0 -0.4618 4.1809 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH