Andecaliximab / 5th9

A4DAB017_5th9_I_M | Source PDB: 5th9 | Chains: I, M | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6738
Max Score
2.1555
Min Score
-3.6823
Total Score
-284.35
Score CDR
-0.0902
Score non-CDR
-0.7383

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSETLSLTCTVSGFSLLSYGVHWVRQPPGKGLEWLGVIWTGGTTNYNSALMSRFTISKDDSKNTVYLKMNSLKTEDTAIYYCARYYYGMDYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESDIQMTQSPSSLSASVGDRVTITCKASQDVRNTVAWYQQKPGKAPKLLIYSSSYRNTGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYITPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.6823
Maximum Score 2.1555
Average Score -0.6738
Total Score -284.3522

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

Index Residue Chain A4D Score Classification
1 Q I -1.4086 Soluble
2 V I -0.7327 Soluble
3 Q I -1.1052 Soluble
4 L I 0.0000 Buried
5 Q I -1.1964 Soluble
6 E I 0.0000 Buried
7 S I -0.6414 Soluble
8 G I -0.6144 Soluble
9 P I -0.5869 Soluble
11 G I -0.4487 Soluble
12 L I -0.4038 Soluble
13 V I 0.0000 Buried
14 K I -2.4778 Soluble
15 P I -2.2781 Soluble
16 S I -1.9227 Soluble
17 E I -2.3842 Soluble
18 T I -1.6765 Soluble
19 L I 0.0000 Buried
20 S I -0.6482 Soluble
21 L I 0.0000 Buried
22 T I -0.2891 Soluble
23 C I 0.0000 Buried
24 T I -0.8862 Soluble
25 V I 0.0000 Buried
26 S I -1.1797 Soluble
27 G I -1.0410 Soluble
28 F I -0.2364 Soluble
29 S I 0.0409 Aggregation-prone
30 L I 0.0000 Buried
35 L I 1.0739 Aggregation-prone
36 S I 0.7359 Aggregation-prone
37 Y I 0.9631 Aggregation-prone
38 G I 0.0000 Buried
39 V I 0.0000 Buried
40 H I 0.0000 Buried
41 W I 0.0000 Buried
42 V I 0.0000 Buried
43 R I 0.0000 Buried
44 Q I 0.0000 Buried
45 P I -1.0596 Soluble
46 P I -0.9065 Soluble
47 G I -1.4606 Soluble
48 K I -2.1721 Soluble
49 G I -1.2719 Soluble
50 L I 0.0000 Buried
51 E I -0.6701 Soluble
52 W I 0.0000 Buried
53 L I 0.0000 Buried
54 G I 0.0000 Buried
55 V I 0.0000 Buried
56 I I 0.0000 Buried
57 W I 0.1662 Aggregation-prone
58 T I 0.2268 Aggregation-prone
59 G I -0.2974 Soluble
63 G I -0.4475 Soluble
64 T I -0.4159 Soluble
65 T I -0.3595 Soluble
66 N I -0.5090 Soluble
67 Y I 0.0545 Aggregation-prone
68 N I -0.0652 Soluble
69 S I -0.1601 Soluble
70 A I 0.2432 Aggregation-prone
71 L I 0.0000 Buried
72 M I 0.8208 Aggregation-prone
74 S I 0.1212 Aggregation-prone
75 R I -0.3247 Soluble
76 F I 0.0000 Buried
77 T I -0.4405 Soluble
78 I I 0.0000 Buried
79 S I -0.4147 Soluble
80 K I -0.9903 Soluble
81 D I -1.4880 Soluble
82 D I -1.6020 Soluble
83 S I -1.6199 Soluble
84 K I -2.5545 Soluble
85 N I -1.9410 Soluble
86 T I -1.3130 Soluble
87 V I 0.0000 Buried
88 Y I 0.0661 Aggregation-prone
89 L I 0.0000 Buried
90 K I -0.9325 Soluble
91 M I 0.0000 Buried
92 N I -1.3968 Soluble
93 S I -1.6450 Soluble
94 L I 0.0000 Buried
95 K I -2.7730 Soluble
96 T I -2.0295 Soluble
97 E I -2.3708 Soluble
98 D I 0.0000 Buried
99 T I -0.7892 Soluble
100 A I 0.0000 Buried
101 I I 0.1312 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 0.0000 Buried
107 Y I 1.3245 Aggregation-prone
108 Y I 2.1555 Aggregation-prone
109 Y I 2.0213 Aggregation-prone
114 G I 0.0000 Buried
115 M I 0.0000 Buried
116 D I 0.3320 Aggregation-prone
117 Y I 0.3116 Aggregation-prone
118 W I 0.0000 Buried
119 G I 0.0000 Buried
120 Q I -1.8293 Soluble
121 G I -1.0183 Soluble
122 T I -0.3608 Soluble
123 L I 0.0918 Aggregation-prone
124 V I 0.0000 Buried
125 T I -0.5075 Soluble
126 V I 0.0000 Buried
127 S I -1.0054 Soluble
128 S I -0.8766 Soluble
129 A I -0.5667 Soluble
130 S I -0.6686 Soluble
131 T I -0.9729 Soluble
132 K I -1.2802 Soluble
133 G I -1.4634 Soluble
134 P I -0.6608 Soluble
135 S I -0.2056 Soluble
136 V I 0.0000 Buried
137 F I -0.5791 Soluble
138 P I -1.0991 Soluble
139 L I 0.0000 Buried
140 A I -0.7093 Soluble
141 P I -0.3373 Soluble
142 S I -0.3562 Soluble
143 T I -0.3449 Soluble
144 A I -0.1392 Soluble
145 A I 0.0000 Buried
146 L I 0.0000 Buried
147 G I 0.0000 Buried
148 C I 0.0000 Buried
149 L I 0.0000 Buried
150 V I 0.0000 Buried
151 K I 0.0000 Buried
152 D I -0.3129 Soluble
153 Y I 0.0000 Buried
154 F I 0.0000 Buried
155 P I 0.0000 Buried
156 E I -0.7599 Soluble
157 P I -0.7700 Soluble
158 V I -0.8351 Soluble
159 T I -0.8249 Soluble
160 V I -0.5714 Soluble
161 S I -0.6028 Soluble
162 W I 0.0000 Buried
163 N I -1.0185 Soluble
164 S I -0.8078 Soluble
165 G I -0.6063 Soluble
166 A I -0.2702 Soluble
167 L I -0.0656 Soluble
168 T I -0.1816 Soluble
169 S I -0.1782 Soluble
170 G I -0.1830 Soluble
171 V I 0.1729 Aggregation-prone
172 H I -0.2418 Soluble
173 T I 0.0540 Aggregation-prone
174 F I 0.0000 Buried
175 P I -0.1573 Soluble
176 A I 0.3446 Aggregation-prone
177 V I 0.7018 Aggregation-prone
178 L I 1.5516 Aggregation-prone
179 Q I 0.4625 Aggregation-prone
180 S I -0.0283 Soluble
181 S I -0.1677 Soluble
182 G I 0.1384 Aggregation-prone
183 L I 0.2281 Aggregation-prone
184 Y I 0.5931 Aggregation-prone
185 S I 0.0000 Buried
186 L I 0.0000 Buried
187 S I 0.0000 Buried
188 S I 0.0000 Buried
189 V I 0.0000 Buried
190 V I 0.0000 Buried
191 T I -0.1094 Soluble
192 V I 0.0000 Buried
193 P I -0.4742 Soluble
194 S I -0.3239 Soluble
195 S I -0.5387 Soluble
196 S I 0.0000 Buried
197 L I -0.7507 Soluble
198 G I -1.0255 Soluble
199 T I -1.0075 Soluble
200 K I -1.9393 Soluble
201 T I -1.6132 Soluble
202 Y I 0.0000 Buried
203 T I -1.9902 Soluble
204 C I 0.0000 Buried
205 N I -1.9106 Soluble
206 V I 0.0000 Buried
207 D I -2.6565 Soluble
208 H I 0.0000 Buried
209 K I -2.9639 Soluble
210 P I -1.7355 Soluble
211 S I -1.9427 Soluble
212 N I -2.6954 Soluble
213 T I -2.2672 Soluble
214 K I -2.9641 Soluble
215 V I -2.0179 Soluble
216 D I -2.8839 Soluble
217 K I -2.3805 Soluble
218 R I -2.9978 Soluble
219 V I 0.0000 Buried
220 E I -2.6617 Soluble
221 S I -1.2598 Soluble
1 D M -2.0647 Soluble
2 I M 0.0000 Buried
3 Q M -2.0536 Soluble
4 M M 0.0000 Buried
5 T M -1.1558 Soluble
6 Q M 0.0000 Buried
7 S M -0.5817 Soluble
8 P M -0.5612 Soluble
9 S M -0.7364 Soluble
10 S M -0.7531 Soluble
11 L M -0.5088 Soluble
12 S M -0.8192 Soluble
13 A M -1.1282 Soluble
14 S M -1.0516 Soluble
15 V M -0.1872 Soluble
16 G M -0.8697 Soluble
17 D M -2.1622 Soluble
18 R M -2.4980 Soluble
19 V M 0.0000 Buried
20 T M -0.6570 Soluble
21 I M 0.0000 Buried
22 T M -0.7262 Soluble
23 C M 0.0000 Buried
24 K M -2.3879 Soluble
25 A M 0.0000 Buried
26 S M -2.0449 Soluble
27 Q M -2.5606 Soluble
28 D M -2.9676 Soluble
29 V M 0.0000 Buried
36 R M -2.7270 Soluble
37 N M -2.0884 Soluble
38 T M -0.7075 Soluble
39 V M 0.0000 Buried
40 A 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 -1.7918 Soluble
46 P M -1.6287 Soluble
47 G M -1.7364 Soluble
48 K M -2.6258 Soluble
49 A M -1.6485 Soluble
50 P M 0.0000 Buried
51 K M -1.5527 Soluble
52 L M 0.0000 Buried
53 L M 0.0000 Buried
54 I M 0.0000 Buried
55 Y M 0.6739 Aggregation-prone
56 S M -0.0609 Soluble
57 S M 0.0000 Buried
65 S M -0.1131 Soluble
66 Y M 0.7008 Aggregation-prone
67 R M -0.8697 Soluble
68 N M -0.7557 Soluble
69 T M -0.5343 Soluble
70 G M -0.9059 Soluble
71 V M -0.9772 Soluble
72 P M -1.3293 Soluble
74 D M -2.2252 Soluble
75 R M -1.5628 Soluble
76 F M 0.0000 Buried
77 S M -0.6432 Soluble
78 G M -0.1873 Soluble
79 S M -0.6083 Soluble
80 G M -1.3634 Soluble
83 S M -1.9550 Soluble
84 G M -2.3832 Soluble
85 T M -2.3910 Soluble
86 D M -2.4005 Soluble
87 F M 0.0000 Buried
88 T M -0.7088 Soluble
89 L M 0.0000 Buried
90 T M -0.6038 Soluble
91 I M 0.0000 Buried
92 S M -1.6674 Soluble
93 S M -1.4303 Soluble
94 L M 0.0000 Buried
95 Q M -1.2460 Soluble
96 A M -1.7920 Soluble
97 E M -2.5096 Soluble
98 D M 0.0000 Buried
99 V M 0.0000 Buried
100 A M 0.0000 Buried
101 V M -0.6314 Soluble
102 Y M 0.0000 Buried
103 Y M 0.0000 Buried
104 C M 0.0000 Buried
105 Q M 0.0000 Buried
106 Q M 0.0000 Buried
107 H M 0.3415 Aggregation-prone
108 Y M 0.1647 Aggregation-prone
109 I M 0.9199 Aggregation-prone
114 T M 0.1441 Aggregation-prone
115 P M -0.3157 Soluble
116 Y M 0.0506 Aggregation-prone
117 T M -0.4229 Soluble
118 F M -0.2552 Soluble
119 G M 0.0000 Buried
120 G M -1.0750 Soluble
121 G M 0.0000 Buried
122 T M 0.0000 Buried
123 K M -1.3386 Soluble
124 V M 0.0000 Buried
125 E M -1.2828 Soluble
126 I M 0.0000 Buried
127 K M -1.7187 Soluble
128 R M -1.0852 Soluble
129 T M -0.1948 Soluble
130 V M 0.4975 Aggregation-prone
131 A M 0.1356 Aggregation-prone
132 A M -0.0602 Soluble
133 P M 0.0000 Buried
134 S M -0.1312 Soluble
135 V M 0.0000 Buried
136 F M 0.1260 Aggregation-prone
137 I M 0.0754 Aggregation-prone
138 F M 0.0000 Buried
139 P M 0.0000 Buried
140 P M -0.5220 Soluble
141 S M -1.2908 Soluble
142 D M -2.6080 Soluble
143 E M -2.2624 Soluble
144 Q M 0.0000 Buried
145 L M -2.0410 Soluble
146 K M -2.5998 Soluble
147 S M -1.6212 Soluble
148 G M -1.1602 Soluble
149 T M -0.8306 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 -0.6958 Soluble
159 F M 0.0000 Buried
160 Y M -0.9456 Soluble
161 P M -1.5118 Soluble
162 R M -2.5243 Soluble
163 E M -2.8776 Soluble
164 A M -2.0464 Soluble
165 K M -1.9801 Soluble
166 V M 0.0000 Buried
167 Q M -0.6692 Soluble
168 W M 0.0000 Buried
169 K M -0.7229 Soluble
170 V M 0.0000 Buried
171 D M -1.9377 Soluble
172 N M -1.5760 Soluble
173 A M -0.4234 Soluble
174 L M 0.3438 Aggregation-prone
175 Q M -0.5253 Soluble
176 S M -0.7126 Soluble
177 G M -1.1786 Soluble
178 N M -1.4079 Soluble
179 S M -1.3699 Soluble
180 Q M -1.2963 Soluble
181 E M -1.7902 Soluble
182 S M -0.7753 Soluble
183 V M -0.3759 Soluble
184 T M -0.9095 Soluble
185 E M -2.0980 Soluble
186 Q M 0.0000 Buried
187 D M -2.1249 Soluble
188 S M -2.4702 Soluble
189 K M -2.7457 Soluble
190 D M -2.0279 Soluble
191 S M 0.0000 Buried
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 -0.7206 Soluble
199 L M 0.0000 Buried
200 T M -0.5601 Soluble
201 L M -0.8055 Soluble
202 S M -1.0465 Soluble
203 K M -2.0508 Soluble
204 A M -1.8497 Soluble
205 D M -2.5226 Soluble
206 Y M 0.0000 Buried
207 E M -3.5750 Soluble
208 K M -3.6823 Soluble
209 H M -3.0782 Soluble
210 K M -3.3179 Soluble
211 V M -1.4514 Soluble
212 Y M 0.0000 Buried
213 A M 0.0000 Buried
214 C M 0.0000 Buried
215 E M -0.7302 Soluble
216 V M 0.0000 Buried
217 T M -1.0892 Soluble
218 H M 0.0000 Buried
219 Q M -1.6135 Soluble
220 G M -0.4107 Soluble
221 L M -0.2181 Soluble
222 S M -0.4562 Soluble
223 S M -0.4204 Soluble
224 P M -0.5113 Soluble
225 V M -0.1195 Soluble
226 T M -0.5119 Soluble
227 K M -0.6795 Soluble
228 S M -0.5145 Soluble
229 F M 0.0000 Buried
230 N M -1.8195 Soluble
231 R M -2.4144 Soluble
232 G M -2.0018 Soluble
233 E M -2.1917 Soluble
234 C M -0.6641 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 -0.7371 2.2433 CSV PDB
4.5 -0.7824 2.2301 CSV PDB
5.0 -0.8354 2.2165 CSV PDB
5.5 -0.8861 2.2027 CSV PDB
6.0 -0.9227 2.1888 CSV PDB
6.5 -0.9355 2.175 CSV PDB
7.0 -0.9243 2.1615 CSV PDB
7.5 -0.8967 2.1484 CSV PDB
8.0 -0.8599 2.1365 CSV PDB
8.5 -0.8159 2.1256 CSV PDB
9.0 -0.7644 2.1108 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH