Loncastuximab / 6ani

A4DAB157_6ani_I_M | Source PDB: 6ani | Chains: I, M | Done
99.55
Yes
10 Å
Yes
Avg A4D Score
-0.6617
Max Score
1.3304
Min Score
-3.4585
Total Score
-279.9
Score CDR
-0.3228
Score non-CDR
-0.7011

Calculation Parameters

Chain Sequence(s) QVQLVQPGAEVVKPGASVKLSCKTSGYTFTSNWMHWVKQAPGQGLEWIGEIDPSDSYTNYNQNFQGKAKLTVDKSTSTAYMEVSSLRSDDTAVYYCARGSNPYYYAMDYWGQGTSVTVSSASTKGPSVFPLAPSGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPEIVLTQSPAIMSASPGERVTMTCSASSGVNYMHWYQQKPGTSPRRWIYDTSKLASGVPARFSGSGSGTDYSLTISSMEPEDAATYYCHQRGSYTFGGGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG input.pdb
Selected Chain(s) I (Heavy), M (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 -3.4585
Maximum Score 1.3304
Average Score -0.6617
Total Score -279.9026

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

Index Residue Chain A4D Score Classification
1 Q I -1.5682 Soluble
2 V I -0.9324 Soluble
3 Q I -1.3033 Soluble
4 L I 0.0000 Buried
5 V I 0.6885 Aggregation-prone
6 Q I 0.0000 Buried
7 P I -0.4360 Soluble
8 G I -0.5962 Soluble
9 A I -0.6017 Soluble
11 E I -0.6293 Soluble
12 V I -0.2274 Soluble
13 V I 0.0000 Buried
14 K I -2.1007 Soluble
15 P I -2.0352 Soluble
16 G I -1.5696 Soluble
17 A I -1.0865 Soluble
18 S I -1.2789 Soluble
19 V I -1.2143 Soluble
20 K I -2.1164 Soluble
21 L I 0.0000 Buried
22 S I -0.4954 Soluble
23 C I 0.0000 Buried
24 K I -0.9119 Soluble
25 T I 0.0000 Buried
26 S I -0.8678 Soluble
27 G I -1.1008 Soluble
28 Y I -0.4425 Soluble
29 T I -0.3085 Soluble
30 F I 0.0000 Buried
35 T I -0.7744 Soluble
36 S I -0.4084 Soluble
37 N I 0.0000 Buried
38 W I 0.2409 Aggregation-prone
39 M I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 K I -0.4732 Soluble
44 Q I -0.7163 Soluble
45 A I -1.0367 Soluble
46 P I -1.0483 Soluble
47 G I -1.2614 Soluble
48 Q I -1.7857 Soluble
49 G I -1.2192 Soluble
50 L I 0.0000 Buried
51 E I -0.8028 Soluble
52 W I -0.2216 Soluble
53 I I 0.0000 Buried
54 G I 0.0000 Buried
55 E I 0.0000 Buried
56 I I 0.0000 Buried
57 D I -0.3706 Soluble
58 P I 0.0000 Buried
59 S I -1.1756 Soluble
62 D I -1.7212 Soluble
63 S I -0.7540 Soluble
64 Y I 0.4036 Aggregation-prone
65 T I -0.3626 Soluble
66 N I -1.1644 Soluble
67 Y I -1.2021 Soluble
68 N I 0.0000 Buried
69 Q I -1.9598 Soluble
70 N I -1.9966 Soluble
71 F I -1.6834 Soluble
72 Q I -2.4189 Soluble
74 G I -1.7970 Soluble
75 K I -1.7088 Soluble
76 A I 0.0000 Buried
77 K I -2.6059 Soluble
78 L I 0.0000 Buried
79 T I -0.7403 Soluble
80 V I -0.6596 Soluble
81 D I -1.4978 Soluble
82 K I -2.2891 Soluble
83 S I -1.2324 Soluble
84 T I -1.1082 Soluble
85 S I -1.2478 Soluble
86 T I 0.0000 Buried
87 A I 0.0000 Buried
88 Y I -0.8837 Soluble
89 M I 0.0000 Buried
90 E I -2.2049 Soluble
91 V I 0.0000 Buried
92 S I -1.3985 Soluble
93 S I -1.2026 Soluble
94 L I 0.0000 Buried
95 R I -2.9302 Soluble
96 S I -2.2057 Soluble
97 D I -2.3069 Soluble
98 D I 0.0000 Buried
99 T I -0.8772 Soluble
100 A I 0.0000 Buried
101 V I 0.0778 Aggregation-prone
102 Y I 0.0000 Buried
103 Y I 0.0000 Buried
104 C I 0.0000 Buried
105 A I 0.0000 Buried
106 R I -0.3064 Soluble
107 G I 0.0000 Buried
108 S I 0.0414 Aggregation-prone
109 N I -0.6569 Soluble
110 P I 0.0849 Aggregation-prone
111 Y I 1.0442 Aggregation-prone
112 Y I 0.7757 Aggregation-prone
113 Y I 0.5895 Aggregation-prone
114 A I 0.0000 Buried
115 M I 0.0000 Buried
116 D I -0.5667 Soluble
117 Y I -0.4102 Soluble
118 W I -0.4131 Soluble
119 G I 0.0000 Buried
120 Q I -1.0007 Soluble
121 G I 0.0000 Buried
122 T I 0.0000 Buried
123 S I -0.4589 Soluble
124 V I 0.0000 Buried
125 T I -0.8158 Soluble
126 V I 0.0000 Buried
127 S I -0.9741 Soluble
128 S I -0.8693 Soluble
129 A I -0.5697 Soluble
130 S I -0.6646 Soluble
131 T I -0.9040 Soluble
132 K I -1.3427 Soluble
133 G I -1.4439 Soluble
134 P I 0.0000 Buried
135 S I -0.2257 Soluble
136 V I 0.0000 Buried
137 F I -0.8605 Soluble
138 P I -1.1283 Soluble
139 L I 0.0000 Buried
140 A I -0.7975 Soluble
141 P I 0.0000 Buried
142 S I -0.3523 Soluble
143 G I -0.6336 Soluble
144 T I -0.4421 Soluble
145 A I -0.2304 Soluble
146 A I 0.0000 Buried
147 L I 0.0000 Buried
148 G I 0.0000 Buried
149 C I 0.0000 Buried
150 L I 0.0000 Buried
151 V I 0.0000 Buried
152 K I 0.0000 Buried
153 D I -0.5473 Soluble
154 Y I 0.0000 Buried
155 F I 0.0000 Buried
156 P I -1.2569 Soluble
157 E I -1.7192 Soluble
158 P I -1.4437 Soluble
159 V I -1.0039 Soluble
160 T I -0.7152 Soluble
161 V I -0.3139 Soluble
162 S I -0.3469 Soluble
163 W I 0.0000 Buried
164 N I -0.6776 Soluble
165 S I -0.6126 Soluble
166 G I -0.5853 Soluble
167 A I -0.2482 Soluble
168 L I 0.0480 Aggregation-prone
169 T I -0.1579 Soluble
170 S I -0.1670 Soluble
171 G I -0.2035 Soluble
172 V I 0.1829 Aggregation-prone
173 H I -0.1574 Soluble
174 T I 0.0334 Aggregation-prone
175 F I 0.0000 Buried
176 P I -0.3299 Soluble
177 A I 0.0101 Aggregation-prone
178 V I 0.5963 Aggregation-prone
179 L I 1.3304 Aggregation-prone
180 Q I 0.3184 Aggregation-prone
181 S I -0.0903 Soluble
182 S I -0.2352 Soluble
183 G I -0.0683 Soluble
184 L I -0.1433 Soluble
185 Y I 0.0000 Buried
186 S I 0.0000 Buried
187 L I 0.0000 Buried
188 S I 0.0000 Buried
189 S I 0.0000 Buried
190 V I 0.0000 Buried
191 V I 0.0000 Buried
192 T I -0.1242 Soluble
193 V I 0.0000 Buried
194 P I -0.4555 Soluble
195 S I -0.4917 Soluble
196 S I -0.5731 Soluble
197 S I -0.5715 Soluble
198 L I -0.7668 Soluble
199 G I -1.1109 Soluble
200 T I -0.8483 Soluble
201 Q I -1.5190 Soluble
202 T I -1.2444 Soluble
203 Y I 0.0000 Buried
204 I I -0.9659 Soluble
205 C I 0.0000 Buried
206 N I -1.3349 Soluble
207 V I 0.0000 Buried
208 N I -1.9126 Soluble
209 H I 0.0000 Buried
210 K I -2.8274 Soluble
211 P I -1.8061 Soluble
212 S I -1.8535 Soluble
213 N I -2.5582 Soluble
214 T I -2.0636 Soluble
215 K I -2.5909 Soluble
216 V I -1.3551 Soluble
217 D I -2.1513 Soluble
218 K I -1.8773 Soluble
219 K I -2.3913 Soluble
220 V I 0.0000 Buried
221 E I -2.5292 Soluble
222 P I -1.2190 Soluble
1 E M -1.4257 Soluble
2 I M -0.3029 Soluble
3 V M 0.7361 Aggregation-prone
4 L M 0.0000 Buried
5 T M -0.1765 Soluble
6 Q M 0.0000 Buried
7 S M -0.2391 Soluble
8 P M -0.0312 Soluble
9 A M 0.2121 Aggregation-prone
10 I M 0.8530 Aggregation-prone
11 M M 0.3569 Aggregation-prone
12 S M -0.2232 Soluble
13 A M 0.0000 Buried
14 S M -1.4329 Soluble
15 P M -1.7805 Soluble
16 G M -1.8356 Soluble
17 E M -2.4776 Soluble
18 R M -2.6875 Soluble
19 V M 0.0000 Buried
20 T M -0.6594 Soluble
21 M M 0.0000 Buried
22 T M -0.5978 Soluble
23 C M 0.0000 Buried
24 S M -0.8716 Soluble
25 A M 0.0000 Buried
26 S M -0.4361 Soluble
27 S M -0.6914 Soluble
28 G M -1.1362 Soluble
29 V M -1.1663 Soluble
37 N M -1.4158 Soluble
38 Y M 0.0000 Buried
39 M M 0.0000 Buried
40 H M 0.0000 Buried
41 W M 0.0000 Buried
42 Y M 0.0000 Buried
43 Q M 0.0000 Buried
44 Q M 0.0000 Buried
45 K M -1.0404 Soluble
46 P M -1.1452 Soluble
47 G M -0.8830 Soluble
48 T M -0.9846 Soluble
49 S M -0.9253 Soluble
50 P M 0.0000 Buried
51 R M -1.7464 Soluble
52 R M -0.9211 Soluble
53 W M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M -0.1015 Soluble
56 D M -0.3704 Soluble
57 T M -0.6516 Soluble
65 S M -0.7339 Soluble
66 K M -0.8070 Soluble
67 L M -0.1613 Soluble
68 A M 0.0000 Buried
69 S M -0.4995 Soluble
70 G M -0.4933 Soluble
71 V M 0.0000 Buried
72 P M -0.2110 Soluble
74 A M -0.1201 Soluble
75 R M -0.6785 Soluble
76 F M 0.0000 Buried
77 S M -0.3744 Soluble
78 G M -0.4998 Soluble
79 S M -0.8971 Soluble
80 G M -1.2824 Soluble
83 S M -1.3399 Soluble
84 G M -1.3943 Soluble
85 T M -1.5176 Soluble
86 D M -2.1626 Soluble
87 Y M 0.0000 Buried
88 S M -0.7214 Soluble
89 L M 0.0000 Buried
90 T M -0.5774 Soluble
91 I M 0.0000 Buried
92 S M -1.3459 Soluble
93 S M -1.6778 Soluble
94 M M 0.0000 Buried
95 E M -2.1412 Soluble
96 P M -1.6329 Soluble
97 E M -2.1719 Soluble
98 D M 0.0000 Buried
99 A M -1.0218 Soluble
100 A M 0.0000 Buried
101 T M -0.4051 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 H M 0.0000 Buried
106 Q M 0.0000 Buried
107 R M -0.6494 Soluble
108 G M -0.8580 Soluble
115 S M 0.0000 Buried
116 Y M -0.3521 Soluble
117 T M 0.0000 Buried
118 F M 0.0000 Buried
119 G M 0.0000 Buried
120 G M -0.7745 Soluble
121 G M -0.5248 Soluble
122 T M 0.0000 Buried
123 K M -0.3818 Soluble
124 L M 0.0000 Buried
125 E M 0.0000 Buried
126 I M -0.8874 Soluble
127 K M -0.8340 Soluble
128 R M -0.6910 Soluble
129 T M 0.1775 Aggregation-prone
130 V M 1.0841 Aggregation-prone
131 A M 0.3569 Aggregation-prone
132 A M 0.0376 Aggregation-prone
133 P M 0.0000 Buried
134 S M -0.1307 Soluble
135 V M 0.0000 Buried
136 F M 0.1815 Aggregation-prone
137 I M 0.1113 Aggregation-prone
138 F M 0.0000 Buried
139 P M -0.5425 Soluble
140 P M 0.0000 Buried
141 S M -1.6107 Soluble
142 D M -3.0431 Soluble
143 E M -3.2437 Soluble
144 Q M 0.0000 Buried
145 L M -2.3963 Soluble
146 K M -2.9894 Soluble
147 S M -1.8898 Soluble
148 G M -1.2274 Soluble
149 T M -0.8266 Soluble
150 A M 0.0000 Buried
151 S M 0.0000 Buried
152 V M 0.0000 Buried
153 V M 0.0000 Buried
154 C M 0.0000 Buried
155 L M 0.0000 Buried
156 L M 0.0000 Buried
157 N M 0.0000 Buried
158 N M -0.9048 Soluble
159 F M 0.0000 Buried
160 Y M 0.0000 Buried
161 P M -1.1714 Soluble
162 R M -2.3952 Soluble
163 E M -2.8413 Soluble
164 A M -2.1053 Soluble
165 K M -2.2762 Soluble
166 V M -1.1562 Soluble
167 Q M -0.6997 Soluble
168 W M 0.0000 Buried
169 K M -0.7111 Soluble
170 V M 0.0000 Buried
171 D M -1.8380 Soluble
172 N M -1.4240 Soluble
173 A M -0.3586 Soluble
174 L M 0.7320 Aggregation-prone
175 Q M -0.0622 Soluble
176 S M -0.3692 Soluble
177 G M -0.7921 Soluble
178 N M -0.6216 Soluble
179 S M -0.9615 Soluble
180 Q M -1.0444 Soluble
181 E M -1.8039 Soluble
182 S M -0.9118 Soluble
183 V M -0.5999 Soluble
184 T M -0.9762 Soluble
185 E M -2.1776 Soluble
186 Q M -1.8384 Soluble
187 D M -1.9215 Soluble
188 S M -1.6861 Soluble
189 K M -2.1559 Soluble
190 D M -1.6019 Soluble
191 S M -1.5714 Soluble
192 T M 0.0000 Buried
193 Y M 0.0000 Buried
194 S M 0.0000 Buried
195 L M 0.0000 Buried
196 S M 0.0000 Buried
197 S M 0.0000 Buried
198 T M 0.0000 Buried
199 L M 0.0000 Buried
200 T M -0.1906 Soluble
201 L M -0.5425 Soluble
202 S M -1.1764 Soluble
203 K M -2.0032 Soluble
204 A M -1.8054 Soluble
205 D M -2.4331 Soluble
206 Y M 0.0000 Buried
207 E M -3.4585 Soluble
208 K M -3.4526 Soluble
209 H M -2.8948 Soluble
210 K M -2.8468 Soluble
211 V M -1.5895 Soluble
212 Y M 0.0000 Buried
213 A M 0.0000 Buried
214 C M 0.0000 Buried
215 E M -0.9582 Soluble
216 V M 0.0000 Buried
217 T M -1.2037 Soluble
218 H M 0.0000 Buried
219 Q M -1.6574 Soluble
220 G M -0.3930 Soluble
221 L M -0.2335 Soluble
222 S M -0.5000 Soluble
223 S M -0.4028 Soluble
224 P M -0.5785 Soluble
225 V M 0.0544 Aggregation-prone
226 T M -0.4432 Soluble
227 K M -0.6026 Soluble
228 S M -0.5952 Soluble
229 F M -0.8367 Soluble
230 N M -1.8989 Soluble
231 R M -1.8622 Soluble
232 G M -1.1378 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 -0.6226 1.5813 CSV PDB
4.5 -0.667 1.5688 CSV PDB
5.0 -0.7184 1.5613 CSV PDB
5.5 -0.7663 1.5723 CSV PDB
6.0 -0.7998 1.5988 CSV PDB
6.5 -0.8101 1.6469 CSV PDB
7.0 -0.7971 1.7125 CSV PDB
7.5 -0.7684 1.7869 CSV PDB
8.0 -0.7309 1.8647 CSV PDB
8.5 -0.6872 1.9433 CSV PDB
9.0 -0.6376 2.0217 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH