Andecaliximab / 5th9

A4DAB017_5th9_H_L | Source PDB: 5th9 | Chains: H, L | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.7056
Max Score
2.1415
Min Score
-3.748
Total Score
-297.78
Score CDR
-0.102
Score non-CDR
-0.7724

Calculation Parameters

Chain Sequence(s) QVQLQESGPGLVKPSETLSLTCTVSGFSLLSYGVHWVRQPPGKGLEWLGVIWTGGTTNYNSALMSRFTISKDDSKNTVYLKMNSLKTEDTAIYYCARYYYGMDYWGQGTLVTVSSASTKGPSVFPLAPSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTKTYTCNVDHKPSNTKVDKRVESDIQMTQSPSSLSASVGDRVTITCKASQDVRNTVAWYQQKPGKAPKLLIYSSSYRNTGVPDRFSGSGSGTDFTLTISSLQAEDVAVYYCQQHYITPYTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC 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 -3.748
Maximum Score 2.1415
Average Score -0.7056
Total Score -297.7842

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

Index Residue Chain A4D Score Classification
1 Q H -1.5290 Soluble
2 V H -0.9825 Soluble
3 Q H -1.6783 Soluble
4 L H 0.0000 Buried
5 Q H -1.4470 Soluble
6 E H 0.0000 Buried
7 S H -0.6158 Soluble
8 G H -0.4972 Soluble
9 P H -0.5451 Soluble
11 G H -0.3940 Soluble
12 L H -0.3071 Soluble
13 V H -1.2949 Soluble
14 K H -2.5298 Soluble
15 P H -2.3320 Soluble
16 S H -2.1326 Soluble
17 E H -2.8327 Soluble
18 T H -1.9804 Soluble
19 L H 0.0000 Buried
20 S H -0.6675 Soluble
21 L H 0.0000 Buried
22 T H -0.2808 Soluble
23 C H 0.0000 Buried
24 T H -0.8505 Soluble
25 V H 0.0000 Buried
26 S H -1.3032 Soluble
27 G H -1.1343 Soluble
28 F H -0.2564 Soluble
29 S H -0.1104 Soluble
30 L H 0.0000 Buried
35 L H 1.0038 Aggregation-prone
36 S H 0.7226 Aggregation-prone
37 Y H 0.9885 Aggregation-prone
38 G H 0.0000 Buried
39 V H 0.0000 Buried
40 H 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 0.0000 Buried
45 P H -1.0772 Soluble
46 P H -0.9766 Soluble
47 G H -1.5077 Soluble
48 K H -2.2022 Soluble
49 G H -1.3087 Soluble
50 L H 0.0000 Buried
51 E H -0.7037 Soluble
52 W H 0.0000 Buried
53 L H 0.0000 Buried
54 G H 0.0000 Buried
55 V H 0.0000 Buried
56 I H 0.0000 Buried
57 W H 0.2413 Aggregation-prone
58 T H 0.1892 Aggregation-prone
59 G H -0.3269 Soluble
63 G H -0.5166 Soluble
64 T H -0.3957 Soluble
65 T H -0.3496 Soluble
66 N H -0.4864 Soluble
67 Y H 0.0047 Aggregation-prone
68 N H -0.2858 Soluble
69 S H -0.2254 Soluble
70 A H 0.2217 Aggregation-prone
71 L H 0.0000 Buried
72 M H 0.8500 Aggregation-prone
74 S H 0.1065 Aggregation-prone
75 R H -0.3807 Soluble
76 F H 0.0000 Buried
77 T H -0.5552 Soluble
78 I H 0.0000 Buried
79 S H -0.5584 Soluble
80 K H -1.0721 Soluble
81 D H -1.6675 Soluble
82 D H -2.1147 Soluble
83 S H -1.7799 Soluble
84 K H -2.5493 Soluble
85 N H -1.7127 Soluble
86 T H -1.2291 Soluble
87 V H 0.0000 Buried
88 Y H 0.0670 Aggregation-prone
89 L H 0.0000 Buried
90 K H -1.2628 Soluble
91 M H 0.0000 Buried
92 N H -1.8461 Soluble
93 S H -1.6217 Soluble
94 L H 0.0000 Buried
95 K H -2.7496 Soluble
96 T H -1.9398 Soluble
97 E H -2.3540 Soluble
98 D H 0.0000 Buried
99 T H -0.7354 Soluble
100 A H 0.0000 Buried
101 I H 0.2425 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 Y H 1.3274 Aggregation-prone
108 Y H 2.1415 Aggregation-prone
109 Y H 2.0342 Aggregation-prone
114 G H 0.0000 Buried
115 M H 0.0000 Buried
116 D H 0.3501 Aggregation-prone
117 Y H 0.2211 Aggregation-prone
118 W H -0.6292 Soluble
119 G H 0.0000 Buried
120 Q H -1.8351 Soluble
121 G H 0.0000 Buried
122 T H -0.3440 Soluble
123 L H -0.0284 Soluble
124 V H 0.0000 Buried
125 T H -0.4605 Soluble
126 V H 0.0000 Buried
127 S H -0.9180 Soluble
128 S H -0.8351 Soluble
129 A H -0.5633 Soluble
130 S H -0.6961 Soluble
131 T H -0.9348 Soluble
132 K H -1.5974 Soluble
133 G H -1.6906 Soluble
134 P H -0.8228 Soluble
135 S H -0.3820 Soluble
136 V H 0.0000 Buried
137 F H 0.0000 Buried
138 P H -1.3213 Soluble
139 L H 0.0000 Buried
140 A H -0.8832 Soluble
141 P H -0.4592 Soluble
142 S H -0.3598 Soluble
143 T H -0.3430 Soluble
144 A H -0.0517 Soluble
145 A H 0.0000 Buried
146 L H 0.0000 Buried
147 G H 0.0000 Buried
148 C H 0.0000 Buried
149 L H 0.0000 Buried
150 V H 0.0000 Buried
151 K H -0.3593 Soluble
152 D H -0.5872 Soluble
153 Y H 0.0000 Buried
154 F H 0.0000 Buried
155 P H 0.0000 Buried
156 E H -0.6718 Soluble
157 P H -0.7531 Soluble
158 V H -0.7590 Soluble
159 T H -0.7678 Soluble
160 V H -0.4567 Soluble
161 S H -0.5360 Soluble
162 W H 0.0000 Buried
163 N H -0.9895 Soluble
164 S H -0.7857 Soluble
165 G H -0.6021 Soluble
166 A H -0.2604 Soluble
167 L H -0.0109 Soluble
168 T H -0.1158 Soluble
169 S H -0.1271 Soluble
170 G H -0.0952 Soluble
171 V H 0.2249 Aggregation-prone
172 H H -0.2633 Soluble
173 T H 0.0487 Aggregation-prone
174 F H 0.0000 Buried
175 P H -0.4327 Soluble
176 A H 0.2614 Aggregation-prone
177 V H 0.4159 Aggregation-prone
178 L H 1.3521 Aggregation-prone
179 Q H 0.1532 Aggregation-prone
180 S H -0.1110 Soluble
181 S H -0.2580 Soluble
182 G H -0.0013 Soluble
183 L H 0.0285 Aggregation-prone
184 Y H 0.5247 Aggregation-prone
185 S H 0.2781 Aggregation-prone
186 L H 0.1517 Aggregation-prone
187 S H 0.0000 Buried
188 S H 0.0000 Buried
189 V H 0.0000 Buried
190 V H 0.0000 Buried
191 T H -0.1286 Soluble
192 V H 0.0000 Buried
193 P H -0.2446 Soluble
194 S H -0.1334 Soluble
195 S H -0.3608 Soluble
196 S H -0.3918 Soluble
197 L H -0.1255 Soluble
198 G H -0.8310 Soluble
199 T H -0.8729 Soluble
200 K H -1.6198 Soluble
201 T H -1.4251 Soluble
202 Y H -1.1146 Soluble
203 T H -1.7861 Soluble
204 C H 0.0000 Buried
205 N H -1.7276 Soluble
206 V H 0.0000 Buried
207 D H -2.3243 Soluble
208 H H 0.0000 Buried
209 K H -2.9635 Soluble
210 P H -1.7735 Soluble
211 S H -2.0295 Soluble
212 N H -2.7359 Soluble
213 T H -2.2590 Soluble
214 K H -2.8276 Soluble
215 V H -1.5600 Soluble
216 D H -2.7091 Soluble
217 K H -2.1660 Soluble
218 R H -2.8242 Soluble
219 V H 0.0000 Buried
220 E H -2.3010 Soluble
221 S H -0.9612 Soluble
1 D L -2.0534 Soluble
2 I L 0.0000 Buried
3 Q L -2.0535 Soluble
4 M L 0.0000 Buried
5 T L -1.1351 Soluble
6 Q L 0.0000 Buried
7 S L -0.5471 Soluble
8 P L -0.5319 Soluble
9 S L -0.6894 Soluble
10 S L -0.7933 Soluble
11 L L -0.6001 Soluble
12 S L -0.9021 Soluble
13 A L -0.9959 Soluble
14 S L -0.8162 Soluble
15 V L 0.0514 Aggregation-prone
16 G L -0.7892 Soluble
17 D L -1.9139 Soluble
18 R L -2.3904 Soluble
19 V L 0.0000 Buried
20 T L -0.6276 Soluble
21 I L 0.0000 Buried
22 T L -0.7307 Soluble
23 C L 0.0000 Buried
24 K L -2.3467 Soluble
25 A L 0.0000 Buried
26 S L -2.0649 Soluble
27 Q L -2.6584 Soluble
28 D L -3.1376 Soluble
29 V L 0.0000 Buried
36 R L -3.1091 Soluble
37 N L -2.1792 Soluble
38 T L -0.6878 Soluble
39 V L 0.0000 Buried
40 A L 0.0000 Buried
41 W L 0.0000 Buried
42 Y L 0.0000 Buried
43 Q L 0.0000 Buried
44 Q L 0.0000 Buried
45 K L -2.2153 Soluble
46 P L -1.7591 Soluble
47 G L -1.8153 Soluble
48 K L -2.7036 Soluble
49 A L -1.6640 Soluble
50 P L 0.0000 Buried
51 K L -1.6637 Soluble
52 L L 0.0000 Buried
53 L L 0.0000 Buried
54 I L 0.0000 Buried
55 Y L 0.7015 Aggregation-prone
56 S L -0.0872 Soluble
57 S L 0.0000 Buried
65 S L -0.1125 Soluble
66 Y L 0.6172 Aggregation-prone
67 R L -1.0240 Soluble
68 N L -0.7316 Soluble
69 T L -0.5311 Soluble
70 G L -0.8880 Soluble
71 V L -1.0915 Soluble
72 P L -1.3241 Soluble
74 D L -2.2025 Soluble
75 R L -1.4725 Soluble
76 F L 0.0000 Buried
77 S L -0.7064 Soluble
78 G L 0.0000 Buried
79 S L -0.5910 Soluble
80 G L -1.4160 Soluble
83 S L -2.1116 Soluble
84 G L -2.5875 Soluble
85 T L -2.5494 Soluble
86 D L -2.6182 Soluble
87 F L 0.0000 Buried
88 T L -0.7190 Soluble
89 L L 0.0000 Buried
90 T L -0.5704 Soluble
91 I L 0.0000 Buried
92 S L -1.5977 Soluble
93 S L -1.3196 Soluble
94 L L 0.0000 Buried
95 Q L -1.2415 Soluble
96 A L -1.7782 Soluble
97 E L -2.6403 Soluble
98 D L 0.0000 Buried
99 V L 0.0000 Buried
100 A L 0.0000 Buried
101 V L -0.6877 Soluble
102 Y L 0.0000 Buried
103 Y L 0.0000 Buried
104 C L 0.0000 Buried
105 Q L 0.0000 Buried
106 Q L 0.0000 Buried
107 H L 0.0000 Buried
108 Y L 0.4996 Aggregation-prone
109 I L 1.2139 Aggregation-prone
114 T L 0.2839 Aggregation-prone
115 P L -0.2565 Soluble
116 Y L 0.1847 Aggregation-prone
117 T L -0.3696 Soluble
118 F L -0.2498 Soluble
119 G L 0.0000 Buried
120 G L -1.0654 Soluble
121 G L 0.0000 Buried
122 T L 0.0000 Buried
123 K L -1.2824 Soluble
124 V L 0.0000 Buried
125 E L -1.6814 Soluble
126 I L 0.0000 Buried
127 K L -1.2704 Soluble
128 R L -0.8201 Soluble
129 T L -0.0730 Soluble
130 V L 0.3741 Aggregation-prone
131 A L 0.1324 Aggregation-prone
132 A L -0.0938 Soluble
133 P L 0.0000 Buried
134 S L -0.1118 Soluble
135 V L 0.0000 Buried
136 F L -0.1021 Soluble
137 I L 0.0000 Buried
138 F L 0.0000 Buried
139 P L 0.0000 Buried
140 P L -0.6906 Soluble
141 S L -1.6665 Soluble
142 D L -3.0738 Soluble
143 E L -3.2462 Soluble
144 Q L 0.0000 Buried
145 L L -2.1291 Soluble
146 K L -2.9126 Soluble
147 S L -1.7376 Soluble
148 G L -1.1308 Soluble
149 T L -0.8596 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 -0.2905 Soluble
158 N L -0.7156 Soluble
159 F L 0.0000 Buried
160 Y L 0.0000 Buried
161 P L -1.7444 Soluble
162 R L -3.1124 Soluble
163 E L -3.2569 Soluble
164 A L -2.3975 Soluble
165 K L -2.4119 Soluble
166 V L -1.3358 Soluble
167 Q L -0.4646 Soluble
168 W L 0.0000 Buried
169 K L -0.4955 Soluble
170 V L 0.0000 Buried
171 D L -1.8302 Soluble
172 N L -1.4663 Soluble
173 A L -0.2529 Soluble
174 L L 0.7236 Aggregation-prone
175 Q L -0.3842 Soluble
176 S L -0.8231 Soluble
177 G L -1.4455 Soluble
178 N L -1.8088 Soluble
179 S L -1.8722 Soluble
180 Q L -2.2855 Soluble
181 E L -2.2947 Soluble
182 S L -1.1671 Soluble
183 V L -0.8612 Soluble
184 T L -1.1470 Soluble
185 E L -2.3516 Soluble
186 Q L 0.0000 Buried
187 D L -2.1303 Soluble
188 S L -2.6089 Soluble
189 K L -2.7079 Soluble
190 D L -1.8166 Soluble
191 S L 0.0000 Buried
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 -0.9898 Soluble
199 L L 0.0000 Buried
200 T L -0.7791 Soluble
201 L L -0.9487 Soluble
202 S L -1.1506 Soluble
203 K L -2.1724 Soluble
204 A L -1.9852 Soluble
205 D L -2.6912 Soluble
206 Y L 0.0000 Buried
207 E L -3.7480 Soluble
208 K L -3.6831 Soluble
209 H L -3.0119 Soluble
210 K L -3.0120 Soluble
211 V L -1.3391 Soluble
212 Y L 0.0000 Buried
213 A L 0.0000 Buried
214 C L 0.0000 Buried
215 E L -0.5702 Soluble
216 V L 0.0000 Buried
217 T L -1.1462 Soluble
218 H L 0.0000 Buried
219 Q L -1.7514 Soluble
220 G L -0.4578 Soluble
221 L L -0.2418 Soluble
222 S L -0.4774 Soluble
223 S L -0.3819 Soluble
224 P L -0.4951 Soluble
225 V L 0.1423 Aggregation-prone
226 T L -0.4533 Soluble
227 K L -0.9176 Soluble
228 S L -0.6829 Soluble
229 F L 0.0000 Buried
230 N L -1.7117 Soluble
231 R L -2.2625 Soluble
232 G L -2.0628 Soluble
233 E L -2.1401 Soluble
234 C L -0.6311 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
Downloads
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
Load structure at specific pH condition
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 -0.7532 2.2524 CSV PDB
4.5 -0.8026 2.2409 CSV PDB
5.0 -0.8593 2.2289 CSV PDB
5.5 -0.9124 2.2167 CSV PDB
6.0 -0.9495 2.2045 CSV PDB
6.5 -0.9615 2.1923 CSV PDB
7.0 -0.949 2.1802 CSV PDB
7.5 -0.92 2.1685 CSV PDB
8.0 -0.8813 2.1574 CSV PDB
8.5 -0.8348 2.147 CSV PDB
9.0 -0.7802 2.1333 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH