Ontamalimab / 4hcr

A4DAB194_4hcr_M_N | Source PDB: 4hcr | Chains: M, N | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7082
Max Score
1.4422
Min Score
-3.8941
Total Score
-305.95
Score CDR
-0.3511
Score non-CDR
-0.7614

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYTFTSYGINWVRQAPGQGLEWMGWISVYSGNTNYAQKVQGRVTMTADTSTSTAYMDLRSLRSDDTAVYYCAREGSSSSGDYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPCSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSNFGTQTYTCNVDHKPSNTKVDKTVEDIVMTQTPLSLSVTPGQPASISCKSSQSLLHTDGTTYLYWYLQKPGQPPQLLIYEVSNRFSGVPDRFSGSGSGTDFTLKISRVEAEDVGIYYCMQNIQLPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGE 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 -3.8941
Maximum Score 1.4422
Average Score -0.7082
Total Score -305.9523

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

Index Residue Chain A4D Score Classification
1 Q M -1.3745 Soluble
2 V M -0.6576 Soluble
3 Q M -0.9799 Soluble
4 L M 0.0000 Buried
5 V M 0.1157 Aggregation-prone
6 Q M 0.0000 Buried
7 S M -0.6399 Soluble
8 G M -0.6568 Soluble
9 A M -0.4550 Soluble
11 E M -0.7025 Soluble
12 V M -0.3489 Soluble
13 K M -1.4301 Soluble
14 K M -2.3775 Soluble
15 P M -2.3318 Soluble
16 G M -1.9517 Soluble
17 A M -1.6090 Soluble
18 S M -1.8326 Soluble
19 V M 0.0000 Buried
20 K M -1.9413 Soluble
21 V M 0.0000 Buried
22 S M -0.4284 Soluble
23 C M 0.0000 Buried
24 K M -0.8955 Soluble
25 A M 0.0000 Buried
26 S M -0.7402 Soluble
27 G M -0.9936 Soluble
28 Y M -0.3801 Soluble
29 T M -0.0842 Soluble
30 F M 0.0000 Buried
35 T M 0.2755 Aggregation-prone
36 S M 0.0875 Aggregation-prone
37 Y M 0.2299 Aggregation-prone
38 G M 0.0000 Buried
39 I 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 -0.6108 Soluble
44 Q M -0.8841 Soluble
45 A M -1.1614 Soluble
46 P M -1.1116 Soluble
47 G M -1.2376 Soluble
48 Q M -1.9350 Soluble
49 G M -1.4785 Soluble
50 L M 0.0000 Buried
51 E M -1.3083 Soluble
52 W M 0.0000 Buried
53 M M 0.0000 Buried
54 G M 0.0000 Buried
55 W M -0.1421 Soluble
56 I M 0.0000 Buried
57 S M 0.0000 Buried
58 V M 0.0000 Buried
59 Y M 0.7770 Aggregation-prone
62 S M -0.1776 Soluble
63 G M -0.9047 Soluble
64 N M -1.4535 Soluble
65 T M -0.9597 Soluble
66 N M -0.8551 Soluble
67 Y M -0.9487 Soluble
68 A M 0.0000 Buried
69 Q M -2.5707 Soluble
70 K M -2.7571 Soluble
71 V M 0.0000 Buried
72 Q M -2.4535 Soluble
74 G M -1.8101 Soluble
75 R M -1.7762 Soluble
76 V M 0.0000 Buried
77 T M -0.7211 Soluble
78 M M 0.0000 Buried
79 T M -0.3822 Soluble
80 A M -0.5888 Soluble
81 D M -1.0260 Soluble
82 T M -0.4574 Soluble
83 S M -0.5893 Soluble
84 T M -0.6938 Soluble
85 S M -0.7599 Soluble
86 T M 0.0000 Buried
87 A M 0.0000 Buried
88 Y M -0.3049 Soluble
89 M M 0.0000 Buried
90 D M 0.0000 Buried
91 L M 0.0000 Buried
92 R M -2.4155 Soluble
93 S M -1.9579 Soluble
94 L M 0.0000 Buried
95 R M -3.1802 Soluble
96 S M -2.4290 Soluble
97 D M -2.5234 Soluble
98 D M 0.0000 Buried
99 T M -1.0948 Soluble
100 A M 0.0000 Buried
101 V M -0.0764 Soluble
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 E M -0.0995 Soluble
108 G M 0.0000 Buried
109 S M -0.3412 Soluble
110 S M -0.5084 Soluble
111 S M -0.6862 Soluble
111A S M -0.9578 Soluble
111B G M -1.2349 Soluble
112B D M -1.7104 Soluble
112A Y M -0.2541 Soluble
112 Y M 0.0616 Aggregation-prone
113 Y M 0.2739 Aggregation-prone
114 G M 0.0000 Buried
115 M M 0.0000 Buried
116 D M -0.1373 Soluble
117 V M -0.2272 Soluble
118 W M 0.0000 Buried
119 G M 0.0000 Buried
120 Q M -1.2500 Soluble
121 G M -0.6511 Soluble
122 T M 0.0000 Buried
123 T M -0.3182 Soluble
124 V M 0.0000 Buried
125 T M 0.0000 Buried
126 V M 0.0000 Buried
127 S M -1.3061 Soluble
128 S M -0.9529 Soluble
129 A M -0.5962 Soluble
130 S M -0.6145 Soluble
131 T M -0.6173 Soluble
132 K M -1.2566 Soluble
133 G M -1.3348 Soluble
134 P M 0.0000 Buried
135 S M -0.4518 Soluble
136 V M 0.0000 Buried
137 F M 0.0000 Buried
138 P M -0.8599 Soluble
139 L M 0.0000 Buried
140 A M -0.2257 Soluble
141 P M 0.0249 Aggregation-prone
142 C M 0.1001 Aggregation-prone
143 S M -0.3750 Soluble
144 T M -0.3541 Soluble
145 A M -0.1990 Soluble
146 A M 0.0000 Buried
147 L M 0.0000 Buried
148 G M 0.0000 Buried
149 C M 0.0000 Buried
150 L M 0.0000 Buried
151 V M 0.0000 Buried
152 K M 0.0000 Buried
153 D M -0.3153 Soluble
154 Y M 0.0000 Buried
155 F M 0.0000 Buried
156 P M -0.5897 Soluble
157 E M -0.7463 Soluble
158 P M -0.9082 Soluble
159 V M -0.7500 Soluble
160 T M -0.5880 Soluble
161 V M -0.2537 Soluble
162 S M -0.5268 Soluble
163 W M 0.0000 Buried
164 N M -0.8582 Soluble
165 S M -0.8110 Soluble
166 G M -0.6182 Soluble
167 A M -0.3033 Soluble
168 L M -0.0835 Soluble
169 T M -0.1716 Soluble
170 S M -0.1450 Soluble
171 G M -0.1604 Soluble
172 V M 0.1858 Aggregation-prone
173 H M -0.4216 Soluble
174 T M -0.1941 Soluble
175 F M 0.0000 Buried
176 P M -0.3567 Soluble
177 A M 0.1318 Aggregation-prone
178 V M 0.6104 Aggregation-prone
179 L M 1.4422 Aggregation-prone
180 Q M 0.4166 Aggregation-prone
181 S M -0.0261 Soluble
182 S M -0.1259 Soluble
183 G M 0.1234 Aggregation-prone
184 L M 0.1629 Aggregation-prone
185 Y M 0.4415 Aggregation-prone
186 S M 0.0000 Buried
187 L M 0.0000 Buried
188 S M 0.0000 Buried
189 S M 0.0000 Buried
190 V M 0.0000 Buried
191 V M 0.0000 Buried
192 T M -0.0883 Soluble
193 V M 0.0000 Buried
194 P M -0.4771 Soluble
195 S M -0.4917 Soluble
196 S M -0.7041 Soluble
197 N M -0.8996 Soluble
198 F M -0.9234 Soluble
199 G M -1.3390 Soluble
200 T M -1.1919 Soluble
201 Q M -1.6656 Soluble
202 T M -1.1383 Soluble
203 Y M 0.0000 Buried
204 T M -0.9999 Soluble
205 C M 0.0000 Buried
206 N M -1.4699 Soluble
207 V M 0.0000 Buried
208 D M -1.9886 Soluble
209 H M 0.0000 Buried
210 K M -2.8266 Soluble
211 P M -1.7345 Soluble
212 S M -1.8854 Soluble
213 N M -2.6571 Soluble
214 T M -2.2790 Soluble
215 K M -2.6953 Soluble
216 V M -1.6981 Soluble
217 D M -2.3747 Soluble
218 K M -1.5280 Soluble
219 T M -1.1806 Soluble
220 V M 0.0000 Buried
221 E M -2.1462 Soluble
1 D N -1.5095 Soluble
2 I N 0.0000 Buried
3 V N 0.6888 Aggregation-prone
4 M N 0.0000 Buried
5 T N -0.4273 Soluble
6 Q N 0.0000 Buried
8 P N -0.2208 Soluble
9 L N 0.0242 Aggregation-prone
10 S N -0.3602 Soluble
11 L N -0.4020 Soluble
12 S N -0.8820 Soluble
13 V N 0.0000 Buried
14 T N -1.5767 Soluble
15 P N -1.7198 Soluble
16 G N -1.8343 Soluble
17 Q N -2.1186 Soluble
18 P N -1.8966 Soluble
19 A N 0.0000 Buried
20 S N -0.7315 Soluble
21 I N 0.0000 Buried
22 S N -0.8137 Soluble
23 C N 0.0000 Buried
24 K N -1.7476 Soluble
25 S N 0.0000 Buried
26 S N -0.8120 Soluble
27 Q N -1.5004 Soluble
28 S N -0.8425 Soluble
29 L N 0.0000 Buried
30 L N 0.2813 Aggregation-prone
31 H N -0.7416 Soluble
32 T N -1.0722 Soluble
34 D N -2.0249 Soluble
35 G N -1.2166 Soluble
36 T N -0.6147 Soluble
37 T N 0.0230 Aggregation-prone
38 Y N 0.2318 Aggregation-prone
39 L N 0.0000 Buried
40 Y N 0.0000 Buried
41 W N 0.0000 Buried
42 Y N 0.0000 Buried
43 L N 0.0000 Buried
44 Q N -1.0854 Soluble
45 K N -1.6648 Soluble
46 P N -1.2863 Soluble
47 G N -1.3798 Soluble
48 Q N -1.8076 Soluble
49 P N -1.2747 Soluble
50 P N 0.0000 Buried
51 Q N -1.1581 Soluble
52 L N 0.0000 Buried
53 L N 0.0000 Buried
54 I N 0.0000 Buried
55 Y N -0.0130 Soluble
56 E N 0.0402 Aggregation-prone
57 V N -0.3174 Soluble
65 S N -0.6208 Soluble
66 N N -0.7290 Soluble
67 R N -1.6638 Soluble
68 F N -0.5757 Soluble
69 S N -0.5846 Soluble
70 G N -0.8375 Soluble
71 V N -0.8976 Soluble
72 P N -1.3133 Soluble
74 D N -2.2713 Soluble
75 R N -2.1585 Soluble
76 F N 0.0000 Buried
77 S N -1.3145 Soluble
78 G N 0.0000 Buried
79 S N -0.7058 Soluble
80 G N -0.9538 Soluble
83 S N -0.6499 Soluble
84 G N -0.7150 Soluble
85 T N -1.3476 Soluble
86 D N -1.9269 Soluble
87 F N 0.0000 Buried
88 T N -0.9291 Soluble
89 L N 0.0000 Buried
90 K N -1.5910 Soluble
91 I N 0.0000 Buried
92 S N -2.2413 Soluble
93 R N -2.9387 Soluble
94 V N 0.0000 Buried
95 E N -2.1682 Soluble
96 A N -1.9962 Soluble
97 E N -2.1291 Soluble
98 D N 0.0000 Buried
99 V N -1.1752 Soluble
100 G N 0.0000 Buried
101 I N -0.5632 Soluble
102 Y N 0.0000 Buried
103 Y N 0.0000 Buried
104 C N 0.0000 Buried
105 M N 0.0000 Buried
106 Q N 0.0000 Buried
107 N N 0.0000 Buried
108 I N -0.0903 Soluble
109 Q N -0.9960 Soluble
114 L N -0.0411 Soluble
115 P N -0.5000 Soluble
116 W N -0.0392 Soluble
117 T N -0.2138 Soluble
118 F N 0.0000 Buried
119 G N 0.0000 Buried
120 Q N -1.3187 Soluble
121 G N -0.9587 Soluble
122 T N 0.0000 Buried
123 K N -1.3931 Soluble
124 V N 0.0000 Buried
125 E N -1.1311 Soluble
126 I N 0.0000 Buried
127 K N -1.5065 Soluble
128 R N -1.1060 Soluble
129 T N -0.0648 Soluble
130 V N 0.3799 Aggregation-prone
131 A N 0.1583 Aggregation-prone
132 A N -0.0597 Soluble
133 P N 0.0000 Buried
134 S N -0.1685 Soluble
135 V N 0.0000 Buried
136 F N 0.0929 Aggregation-prone
137 I N 0.1808 Aggregation-prone
138 F N 0.0000 Buried
139 P N -0.3912 Soluble
140 P N -0.6907 Soluble
141 S N -1.5409 Soluble
142 D N -2.9853 Soluble
143 E N -3.0193 Soluble
144 Q N 0.0000 Buried
145 L N -2.3006 Soluble
146 K N -2.9094 Soluble
147 S N -1.8003 Soluble
148 G N -1.7101 Soluble
149 T N -1.3887 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 -0.3335 Soluble
158 N N -1.0520 Soluble
159 F N 0.0000 Buried
160 Y N 0.0000 Buried
161 P N -1.7713 Soluble
162 R N -2.9933 Soluble
163 E N -3.1109 Soluble
164 A N -2.1030 Soluble
165 K N -2.0262 Soluble
166 V N -0.9644 Soluble
167 Q N -0.7269 Soluble
168 W N 0.0000 Buried
169 K N -0.5261 Soluble
170 V N 0.0000 Buried
171 D N -1.5238 Soluble
172 N N -1.1681 Soluble
173 A N -0.1725 Soluble
174 L N 0.7244 Aggregation-prone
175 Q N -0.1119 Soluble
176 S N -0.4086 Soluble
177 G N -0.8223 Soluble
178 N N -0.7213 Soluble
179 S N -0.9404 Soluble
180 Q N -0.9668 Soluble
181 E N -1.5403 Soluble
182 S N -0.8862 Soluble
183 V N -0.8935 Soluble
184 T N -1.1939 Soluble
185 E N -2.4845 Soluble
186 Q N -2.3677 Soluble
187 D N -2.7635 Soluble
189 K N -2.5617 Soluble
190 D N -2.2886 Soluble
191 S N -2.1820 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 -0.4564 Soluble
201 L N -0.8366 Soluble
202 S N -1.3216 Soluble
203 K N -2.4717 Soluble
204 A N -2.2219 Soluble
205 D N -3.1405 Soluble
206 Y N 0.0000 Buried
207 E N -3.8941 Soluble
208 K N -3.8411 Soluble
209 H N -3.1897 Soluble
210 K N -3.1192 Soluble
211 V N -1.6415 Soluble
212 Y N 0.0000 Buried
213 A N -0.6414 Soluble
215 E N -0.9556 Soluble
216 V N 0.0000 Buried
217 T N -1.0633 Soluble
218 H N 0.0000 Buried
219 Q N -1.6977 Soluble
220 G N -0.4480 Soluble
221 L N -0.2079 Soluble
222 S N -0.4397 Soluble
223 S N -0.3775 Soluble
224 P N -0.4252 Soluble
225 V N 0.0369 Aggregation-prone
226 T N -0.5098 Soluble
227 K N -0.7357 Soluble
228 S N -0.5123 Soluble
229 F N 0.0000 Buried
230 N N -1.8448 Soluble
231 R N -2.4582 Soluble
232 G N -2.0896 Soluble
233 E N -2.3504 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 -0.6601 2.6416 CSV PDB
4.5 -0.7088 2.6059 CSV PDB
5.0 -0.7638 2.5597 CSV PDB
5.5 -0.8157 2.5107 CSV PDB
6.0 -0.8544 2.4665 CSV PDB
6.5 -0.8721 2.4345 CSV PDB
7.0 -0.8685 2.4174 CSV PDB
7.5 -0.8499 2.4104 CSV PDB
8.0 -0.8214 2.4079 CSV PDB
8.5 -0.7838 2.4071 CSV PDB
9.0 -0.738 2.4069 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH