Ontamalimab / 4hcr

A4DAB194_4hcr_H_L | Source PDB: 4hcr | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7034
Max Score
0.9697
Min Score
-3.6343
Total Score
-305.28
Score CDR
-0.3121
Score non-CDR
-0.7614

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYGINWVRQAPGQGLEWMGWISVYSGNTNYAQKVQGRVTMTADTSTSTAYMDLRSLRSDDTAVYYCAREGSSSSGDYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVEDIVMTQTPLSLSVTPGQPASISCKSSQSLLHTDGTTYLYWYLQKPGQPPQLLIYEVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGIYYCMQNIQLPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.6343
Maximum Score 0.9697
Average Score -0.7034
Total Score -305.2834

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

Index Residue Chain A4D Score Classification
1 Q H -1.2703 Soluble
2 V H -0.5984 Soluble
3 Q H -0.9243 Soluble
4 L H 0.0000 Buried
5 V H 0.0208 Aggregation-prone
6 Q H 0.0000 Buried
7 S H -0.6667 Soluble
8 G H -0.6579 Soluble
9 A H -0.4564 Soluble
11 E H -0.8722 Soluble
12 V H -0.5135 Soluble
13 K H -1.5924 Soluble
14 K H -2.3816 Soluble
15 P H -2.1977 Soluble
16 G H -1.7488 Soluble
17 A H -1.4817 Soluble
18 S H -1.8051 Soluble
19 V H 0.0000 Buried
20 K H -2.0563 Soluble
21 V H 0.0000 Buried
22 S H -0.5580 Soluble
23 C H 0.0000 Buried
24 K H -0.9118 Soluble
25 A H 0.0000 Buried
26 S H -0.7177 Soluble
27 G H -0.8382 Soluble
28 Y H -0.2965 Soluble
29 T H -0.0788 Soluble
30 F H 0.0000 Buried
35 T H 0.2622 Aggregation-prone
36 S H 0.0645 Aggregation-prone
37 Y H 0.2152 Aggregation-prone
38 G H 0.0000 Buried
39 I 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 -0.6276 Soluble
45 A H -0.9909 Soluble
46 P H -1.0361 Soluble
47 G H -1.2306 Soluble
48 Q H -1.8595 Soluble
49 G H -1.3109 Soluble
50 L H 0.0000 Buried
51 E H -0.9285 Soluble
52 W H 0.0000 Buried
53 M H 0.0000 Buried
54 G H 0.0000 Buried
55 W H -0.1798 Soluble
56 I H 0.0000 Buried
57 S H 0.0000 Buried
58 V H 0.0000 Buried
59 Y H 0.7886 Aggregation-prone
62 S H -0.1857 Soluble
63 G H -0.8916 Soluble
64 N H -1.4439 Soluble
65 T H -0.8903 Soluble
66 N H -0.6910 Soluble
67 Y H -0.6823 Soluble
68 A H 0.0000 Buried
69 Q H -2.2736 Soluble
70 K H -2.2733 Soluble
71 V H 0.0000 Buried
72 Q H -2.2276 Soluble
74 G H -1.6467 Soluble
75 R H -1.4789 Soluble
76 V H 0.0000 Buried
77 T H -0.7644 Soluble
78 M H 0.0000 Buried
79 T H -0.4295 Soluble
80 A H -0.5180 Soluble
81 D H -0.8468 Soluble
82 T H -0.3638 Soluble
83 S H -0.5183 Soluble
84 T H -0.6029 Soluble
85 S H -0.6789 Soluble
86 T H 0.0000 Buried
87 A H 0.0000 Buried
88 Y H -0.4919 Soluble
89 M H 0.0000 Buried
90 D H -1.3416 Soluble
91 L H 0.0000 Buried
92 R H -2.0468 Soluble
93 S H -1.6096 Soluble
94 L H 0.0000 Buried
95 R H -2.8602 Soluble
96 S H -2.2291 Soluble
97 D H -2.4556 Soluble
98 D H 0.0000 Buried
99 T H -0.9598 Soluble
100 A H 0.0000 Buried
101 V H 0.2232 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 E H -0.0826 Soluble
108 G H 0.0000 Buried
109 S H -0.3368 Soluble
110 S H -0.5510 Soluble
111 S H -0.7340 Soluble
111A S H -1.0368 Soluble
111B G H -1.2260 Soluble
112B D H -1.6486 Soluble
112A Y H -0.1372 Soluble
112 Y H 0.1438 Aggregation-prone
113 Y H 0.1246 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 D H -0.2128 Soluble
117 V H -0.3737 Soluble
118 W H 0.0000 Buried
119 G H 0.0000 Buried
120 Q H -1.1011 Soluble
121 G H -0.5168 Soluble
122 T H 0.0000 Buried
123 T H -0.2023 Soluble
124 V H 0.0000 Buried
125 T H 0.0000 Buried
126 V H 0.0000 Buried
127 S H -1.0387 Soluble
128 S H -0.9677 Soluble
129 A H -0.6080 Soluble
130 S H -0.6437 Soluble
131 T H -0.5698 Soluble
132 K H -1.0794 Soluble
133 G H -1.3286 Soluble
134 P H -0.6124 Soluble
135 S H -0.2843 Soluble
136 V H -0.3718 Soluble
137 F H 0.0000 Buried
138 P H -0.8184 Soluble
139 L H 0.0000 Buried
140 A H -0.2556 Soluble
141 P H 0.0540 Aggregation-prone
142 C H 0.1747 Aggregation-prone
143 S H -0.4261 Soluble
144 T H -0.3610 Soluble
145 A H -0.1732 Soluble
146 A H 0.0000 Buried
147 L H 0.0000 Buried
148 G H 0.0000 Buried
149 C H 0.0000 Buried
150 L H 0.0000 Buried
151 V H 0.0000 Buried
152 K H 0.0000 Buried
153 D H -0.4108 Soluble
154 Y H 0.0000 Buried
155 F H 0.0000 Buried
156 P H -0.7662 Soluble
157 E H -0.7677 Soluble
158 P H -0.9778 Soluble
159 V H 0.0000 Buried
160 T H -0.8064 Soluble
161 V H -0.4772 Soluble
162 S H -0.5018 Soluble
163 W H 0.0000 Buried
164 N H -0.7489 Soluble
165 S H -0.7225 Soluble
166 G H -0.5339 Soluble
167 A H -0.2562 Soluble
168 L H -0.1462 Soluble
169 T H -0.2072 Soluble
170 S H -0.2425 Soluble
171 G H -0.2342 Soluble
172 V H 0.1803 Aggregation-prone
173 H H -0.3491 Soluble
174 T H -0.1431 Soluble
175 F H 0.0000 Buried
176 P H -0.3968 Soluble
177 A H 0.0467 Aggregation-prone
178 V H 0.3525 Aggregation-prone
179 L H 0.9697 Aggregation-prone
180 Q H 0.1731 Aggregation-prone
181 S H -0.1207 Soluble
182 S H -0.2219 Soluble
183 G H -0.0378 Soluble
184 L H -0.0097 Soluble
185 Y H 0.0000 Buried
186 S H 0.1253 Aggregation-prone
187 L H 0.0000 Buried
188 S H 0.0000 Buried
189 S H 0.0000 Buried
190 V H 0.0000 Buried
191 V H 0.0000 Buried
192 T H -0.1474 Soluble
193 V H 0.0000 Buried
194 P H -0.5234 Soluble
195 S H -0.5176 Soluble
196 S H -0.6896 Soluble
197 N H -0.8665 Soluble
198 F H -0.7702 Soluble
199 G H -1.1473 Soluble
200 T H -0.8060 Soluble
201 Q H -1.1123 Soluble
202 T H -0.8877 Soluble
203 Y H 0.0000 Buried
204 T H -0.9361 Soluble
205 C H 0.0000 Buried
206 N H -1.4454 Soluble
207 V H 0.0000 Buried
208 D H -2.2871 Soluble
209 H H 0.0000 Buried
210 K H -2.9205 Soluble
211 P H -1.7313 Soluble
212 S H -1.8558 Soluble
213 N H -2.6659 Soluble
214 T H -2.2226 Soluble
215 K H -2.8021 Soluble
216 V H -1.5854 Soluble
217 D H -2.3171 Soluble
218 K H -1.3538 Soluble
219 T H -1.1284 Soluble
220 V H 0.0000 Buried
221 E H -1.9319 Soluble
1 D L -1.5004 Soluble
2 I L 0.0000 Buried
3 V L 0.7963 Aggregation-prone
4 M L 0.0000 Buried
5 T L -0.4966 Soluble
6 Q L -0.5054 Soluble
8 P L -0.2116 Soluble
9 L L 0.1804 Aggregation-prone
10 S L -0.1562 Soluble
11 L L -0.1964 Soluble
12 S L -0.7521 Soluble
13 V L 0.0000 Buried
14 T L -1.5579 Soluble
15 P L -1.8534 Soluble
16 G L -2.1544 Soluble
17 Q L -2.3837 Soluble
18 P L -2.0997 Soluble
19 A L 0.0000 Buried
20 S L -1.0374 Soluble
21 I L 0.0000 Buried
22 S L -1.0566 Soluble
23 C L 0.0000 Buried
24 K L -2.0305 Soluble
25 S L 0.0000 Buried
26 S L -0.9541 Soluble
27 Q L -1.4201 Soluble
28 S L -0.7651 Soluble
29 L L 0.0000 Buried
30 L L 0.7280 Aggregation-prone
31 H L -0.4965 Soluble
32 T L -0.9262 Soluble
34 D L -1.9282 Soluble
35 G L -1.0625 Soluble
36 T L -0.2459 Soluble
37 T L 0.1586 Aggregation-prone
38 Y L 0.2426 Aggregation-prone
39 L L 0.0000 Buried
40 Y L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 L L 0.0000 Buried
44 Q L -1.0051 Soluble
45 K L -1.5552 Soluble
46 P L -1.4701 Soluble
47 G L -1.4310 Soluble
48 Q L -1.8533 Soluble
49 P L -1.3208 Soluble
50 P L 0.0000 Buried
51 Q L -1.3726 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.0000 Buried
56 E L -0.1551 Soluble
57 V L 0.0000 Buried
65 S L -0.8047 Soluble
66 N L -0.8478 Soluble
67 R L -1.3037 Soluble
68 F L -0.4718 Soluble
69 S L -0.4912 Soluble
70 G L -0.7522 Soluble
71 V L -0.8340 Soluble
72 P L -1.2668 Soluble
74 D L -2.2404 Soluble
75 R L -2.1553 Soluble
76 F L 0.0000 Buried
77 S L -1.5871 Soluble
78 G L -1.2254 Soluble
79 S L -0.9344 Soluble
80 G L -0.9939 Soluble
83 S L -0.6282 Soluble
84 G L -0.7134 Soluble
85 T L -1.4895 Soluble
86 D L -2.2412 Soluble
87 F L 0.0000 Buried
88 T L -1.2062 Soluble
89 L L 0.0000 Buried
90 K L -2.2368 Soluble
91 I L 0.0000 Buried
92 S L -2.5338 Soluble
93 R L -3.2503 Soluble
94 V L 0.0000 Buried
95 E L -2.5599 Soluble
96 A L -2.1950 Soluble
97 E L -2.3155 Soluble
98 D L 0.0000 Buried
99 V L -1.1561 Soluble
100 G L 0.0000 Buried
101 I L -0.1557 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 M L 0.0000 Buried
106 Q L 0.0000 Buried
107 N L 0.0000 Buried
108 I L 0.0726 Aggregation-prone
109 Q L -0.9700 Soluble
114 L L -0.0298 Soluble
115 P L -0.3965 Soluble
116 W L 0.0042 Aggregation-prone
117 T L -0.1155 Soluble
118 F L 0.0000 Buried
119 G L 0.0000 Buried
120 Q L -1.3319 Soluble
121 G L -0.7543 Soluble
122 T L 0.0000 Buried
123 K L -0.8285 Soluble
124 V L 0.0000 Buried
125 E L -1.1961 Soluble
126 I L 0.0000 Buried
127 K L -1.1881 Soluble
128 R L -0.8395 Soluble
129 T L -0.0425 Soluble
130 V L 0.3776 Aggregation-prone
131 A L -0.1015 Soluble
132 A L -0.1523 Soluble
133 P L 0.0000 Buried
134 S L -0.1536 Soluble
135 V L 0.0000 Buried
136 F L 0.0638 Aggregation-prone
137 I L 0.1198 Aggregation-prone
138 F L 0.0000 Buried
139 P L -0.3404 Soluble
140 P L -0.6839 Soluble
141 S L -1.5496 Soluble
142 D L -2.8167 Soluble
143 E L -2.7024 Soluble
144 Q L 0.0000 Buried
145 L L -2.0341 Soluble
146 K L -2.7370 Soluble
147 S L -1.7438 Soluble
148 G L -1.2531 Soluble
149 T L -1.1051 Soluble
150 A L 0.0000 Buried
151 S L 0.0000 Buried
152 V L 0.0000 Buried
153 V L 0.0000 Buried
154 C L 0.0000 Buried
155 L L 0.0000 Buried
156 L L 0.0000 Buried
157 N L 0.0000 Buried
158 N L -0.9686 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.6580 Soluble
162 R L -2.9053 Soluble
163 E L -3.1396 Soluble
164 A L -2.3915 Soluble
165 K L -2.4417 Soluble
166 V L -1.1311 Soluble
167 Q L -0.7123 Soluble
168 W L 0.0000 Buried
169 K L -0.4840 Soluble
170 V L 0.0000 Buried
171 D L -1.5878 Soluble
172 N L -1.3778 Soluble
173 A L -0.1200 Soluble
174 L L 0.7413 Aggregation-prone
175 Q L -0.1514 Soluble
176 S L -0.4784 Soluble
177 G L -0.8745 Soluble
178 N L -0.8059 Soluble
179 S L -1.0910 Soluble
180 Q L -1.2900 Soluble
181 E L -1.8952 Soluble
182 S L -1.0333 Soluble
183 V L -1.0785 Soluble
184 T L -1.2561 Soluble
185 E L -2.3830 Soluble
186 Q L -2.1022 Soluble
187 D L -2.2825 Soluble
188 S L -2.3589 Soluble
189 K L -2.3476 Soluble
190 D L -1.8350 Soluble
191 S L -1.9861 Soluble
192 T L 0.0000 Buried
193 Y L 0.0000 Buried
194 S L 0.0000 Buried
195 L L 0.0000 Buried
196 S L 0.0000 Buried
197 S L 0.0000 Buried
198 T L -0.6368 Soluble
199 L L 0.0000 Buried
200 T L -0.4770 Soluble
201 L L -0.8381 Soluble
202 S L -1.2132 Soluble
203 K L -2.1343 Soluble
204 A L -2.0330 Soluble
205 D L -2.9771 Soluble
206 Y L 0.0000 Buried
207 E L -3.4050 Soluble
208 K L -3.6343 Soluble
209 H L -3.1566 Soluble
210 K L -3.3624 Soluble
211 V L -1.7440 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.7390 Soluble
216 V L 0.0000 Buried
217 T L -1.2580 Soluble
218 H L 0.0000 Buried
219 Q L -1.7554 Soluble
220 G L -0.4841 Soluble
221 L L -0.2739 Soluble
222 S L -0.4807 Soluble
223 S L -0.4542 Soluble
224 P L -0.5508 Soluble
225 V L -0.0184 Soluble
226 T L -0.4971 Soluble
227 K L -0.8117 Soluble
228 S L -0.6304 Soluble
229 F L 0.0000 Buried
230 N L -2.3287 Soluble
231 R L -2.6594 Soluble
232 G L -2.1270 Soluble
233 E L -2.6106 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 -0.6525 2.1815 CSV PDB
4.5 -0.6998 2.1408 CSV PDB
5.0 -0.754 2.0885 CSV PDB
5.5 -0.8058 2.0332 CSV PDB
6.0 -0.8448 1.9835 CSV PDB
6.5 -0.8628 1.9477 CSV PDB
7.0 -0.8595 1.9286 CSV PDB
7.5 -0.8416 1.9209 CSV PDB
8.0 -0.8147 1.9182 CSV PDB
8.5 -0.7797 1.9173 CSV PDB
9.0 -0.7364 1.917 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH