Volagidemab / 5xf1

A4DAB298_5xf1_C_D | Source PDB: 5xf1 | Chains: C, D | Done
99.15
Yes
10 Å
Yes
Avg A4D Score
-0.6734
Max Score
2.6951
Min Score
-3.4377
Total Score
-299.66
Score CDR
-0.2526
Score non-CDR
-0.7328

Calculation Parameters

Chain Sequence(s) QVQLVESGGGVVQPGRSLRLSCAASGFTFSSYGMHWVRQAPGKGLEWVAVMYYDGSNKDYVDSVKGRFTISRDNSKNTLYLQMNRLRAEDTAVYYCAREKDHYDILTGYNYYYGLDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDIQMTQSPSSLSASVGDRVTITCRASQGIRNDLGWYQQKPGKAPKRLIYAASSLESGVPSRFSGSGSGTEFTLTISSVQPEDFVTYYCLQHNSNPLTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) C (Heavy), D (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 -3.4377
Maximum Score 2.6951
Average Score -0.6734
Total Score -299.665

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

Index Residue Chain A4D Score Classification
1 Q C -0.9597 Soluble
2 V C 0.1792 Aggregation-prone
3 Q C -0.5626 Soluble
4 L C 0.0000 Buried
5 V C 0.2771 Aggregation-prone
6 E C 0.0000 Buried
7 S C -0.6469 Soluble
8 G C -0.9164 Soluble
9 G C -0.4474 Soluble
11 G C 0.4354 Aggregation-prone
12 V C 1.1587 Aggregation-prone
13 V C 0.0000 Buried
14 Q C -1.7521 Soluble
15 P C -2.2155 Soluble
16 G C -2.6966 Soluble
17 R C -2.9770 Soluble
18 S C -2.4319 Soluble
19 L C -1.6363 Soluble
20 R C -2.2644 Soluble
21 L C 0.0000 Buried
22 S C -0.6520 Soluble
23 C C 0.0000 Buried
24 A C -0.3671 Soluble
25 A C 0.0000 Buried
26 S C -0.5714 Soluble
27 G C -0.5082 Soluble
28 F C -0.0586 Soluble
29 T C -0.0811 Soluble
30 F C 0.0000 Buried
35 S C -0.2670 Soluble
36 S C -0.0965 Soluble
37 Y C -0.0227 Soluble
38 G C 0.0000 Buried
39 M C 0.0000 Buried
40 H C 0.0000 Buried
41 W C 0.0000 Buried
42 V C 0.0000 Buried
43 R C 0.0000 Buried
44 Q C -0.8698 Soluble
45 A C -1.3056 Soluble
46 P C -0.9381 Soluble
47 G C -1.4786 Soluble
48 K C -2.3109 Soluble
49 G C -1.5032 Soluble
50 L C 0.0000 Buried
51 E C -1.3142 Soluble
52 W C 0.0000 Buried
53 V C 0.0000 Buried
54 A C 0.0000 Buried
55 V C 0.0000 Buried
56 M C 0.0000 Buried
57 Y C -0.4019 Soluble
58 Y C 0.1292 Aggregation-prone
59 D C -1.2942 Soluble
62 G C -1.1733 Soluble
63 S C -1.4076 Soluble
64 N C -2.0227 Soluble
65 K C -1.7579 Soluble
66 D C -1.8784 Soluble
67 Y C -1.4390 Soluble
68 V C -1.5416 Soluble
69 D C -2.4951 Soluble
70 S C -1.7704 Soluble
71 V C 0.0000 Buried
72 K C -2.6755 Soluble
74 G C -1.9071 Soluble
75 R C -2.1503 Soluble
76 F C 0.0000 Buried
77 T C -1.1435 Soluble
78 I C 0.0000 Buried
79 S C -0.4112 Soluble
80 R C -0.8237 Soluble
81 D C -1.5859 Soluble
82 N C -1.5171 Soluble
83 S C -1.6512 Soluble
84 K C -2.3982 Soluble
85 N C -1.7776 Soluble
86 T C 0.0000 Buried
87 L C 0.0000 Buried
88 Y C -0.7390 Soluble
89 L C 0.0000 Buried
90 Q C -1.6006 Soluble
91 M C 0.0000 Buried
92 N C -2.4961 Soluble
93 R C -3.2250 Soluble
94 L C 0.0000 Buried
95 R C -2.8748 Soluble
96 A C -1.6749 Soluble
97 E C -2.2431 Soluble
98 D C 0.0000 Buried
99 T C -0.6141 Soluble
100 A C 0.0000 Buried
101 V C 0.1305 Aggregation-prone
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 A C 0.0000 Buried
106 R C -0.3469 Soluble
107 E C 0.0000 Buried
108 K C -0.5167 Soluble
109 D C -0.3402 Soluble
110 H C -0.0286 Soluble
111 Y C 1.0581 Aggregation-prone
111A D C 1.3543 Aggregation-prone
111B I C 2.6951 Aggregation-prone
111C L C 2.5879 Aggregation-prone
111D T C 1.3925 Aggregation-prone
112D G C 1.2548 Aggregation-prone
112C Y C 1.2950 Aggregation-prone
112B N C -0.0911 Soluble
112A Y C 0.2679 Aggregation-prone
112 Y C 0.3780 Aggregation-prone
113 Y C 0.7900 Aggregation-prone
114 G C 0.0000 Buried
115 L C 0.0000 Buried
116 D C -0.3979 Soluble
117 V C -0.1959 Soluble
118 W C 0.0000 Buried
119 G C -0.7421 Soluble
120 Q C -1.3152 Soluble
121 G C -0.6907 Soluble
122 T C -0.2694 Soluble
123 T C 0.1069 Aggregation-prone
124 V C 0.0000 Buried
125 T C -0.0846 Soluble
126 V C 0.0000 Buried
127 S C -0.4374 Soluble
128 S C -0.4656 Soluble
129 A C -0.3813 Soluble
130 S C -0.5437 Soluble
131 T C -0.8004 Soluble
132 K C -1.4328 Soluble
133 G C -1.5133 Soluble
134 P C -0.7459 Soluble
135 S C -0.3613 Soluble
136 V C 0.0000 Buried
137 F C 0.0000 Buried
138 P C -0.9973 Soluble
139 L C 0.0000 Buried
140 A C -1.1531 Soluble
141 P C 0.0000 Buried
142 S C -1.3816 Soluble
143 S C -1.1931 Soluble
144 K C -1.4761 Soluble
145 S C 0.0000 Buried
146 T C -0.8477 Soluble
147 S C -0.8455 Soluble
148 G C -0.9929 Soluble
149 G C -0.8942 Soluble
150 T C -0.6229 Soluble
151 A C 0.0000 Buried
152 A C 0.0000 Buried
153 L C 0.0000 Buried
154 G C 0.0000 Buried
155 C C 0.0000 Buried
156 L C 0.0000 Buried
157 V C 0.0000 Buried
158 K C 0.0000 Buried
159 D C -0.6178 Soluble
160 Y C 0.0000 Buried
161 F C 0.0000 Buried
162 P C 0.0000 Buried
163 E C -1.1150 Soluble
164 P C -1.1956 Soluble
165 V C 0.0000 Buried
166 T C -0.7045 Soluble
167 V C -0.3879 Soluble
168 S C -0.3116 Soluble
169 W C 0.0000 Buried
170 N C -0.6587 Soluble
171 S C -0.5547 Soluble
172 G C -0.4779 Soluble
173 A C -0.2099 Soluble
174 L C 0.0310 Aggregation-prone
175 T C -0.1720 Soluble
176 S C -0.2169 Soluble
177 G C -0.3405 Soluble
178 V C 0.1094 Aggregation-prone
179 H C -0.2957 Soluble
180 T C -0.1346 Soluble
181 F C 0.0000 Buried
182 P C -0.4287 Soluble
183 A C 0.1488 Aggregation-prone
184 V C 0.4669 Aggregation-prone
185 L C 1.2789 Aggregation-prone
186 Q C 0.2545 Aggregation-prone
187 S C -0.0267 Soluble
188 S C -0.1865 Soluble
189 G C 0.0854 Aggregation-prone
190 L C -0.0386 Soluble
191 Y C 0.2415 Aggregation-prone
192 S C 0.0000 Buried
193 L C 0.0000 Buried
194 S C 0.0000 Buried
195 S C 0.0000 Buried
196 V C 0.0000 Buried
197 V C 0.0000 Buried
198 T C -0.1899 Soluble
199 V C 0.0000 Buried
200 P C -0.4975 Soluble
201 S C -0.5818 Soluble
202 S C -0.5298 Soluble
203 S C -0.4976 Soluble
204 L C -0.6293 Soluble
205 G C -0.9168 Soluble
206 T C -0.6774 Soluble
207 Q C -0.9763 Soluble
208 T C -1.0520 Soluble
209 Y C 0.0000 Buried
210 I C -1.0980 Soluble
211 C C 0.0000 Buried
212 N C 0.0000 Buried
213 V C 0.0000 Buried
214 N C -1.9399 Soluble
215 H C 0.0000 Buried
216 K C -2.8821 Soluble
217 P C -1.8474 Soluble
218 S C -1.9652 Soluble
219 N C -2.6054 Soluble
220 T C -2.2728 Soluble
221 K C -2.5809 Soluble
222 V C -1.4373 Soluble
223 D C -2.0629 Soluble
224 K C -1.8437 Soluble
225 K C -2.2305 Soluble
226 V C 0.0000 Buried
227 E C -2.6590 Soluble
228 P C -1.7506 Soluble
229 K C -2.0037 Soluble
230 S C -0.9047 Soluble
231 C C 0.1852 Aggregation-prone
1 D D -2.4918 Soluble
2 I D 0.0000 Buried
3 Q D -2.2398 Soluble
4 M D 0.0000 Buried
5 T D -1.4757 Soluble
6 Q D -1.0452 Soluble
7 S D -0.7203 Soluble
8 P D -0.5427 Soluble
9 S D -0.6919 Soluble
10 S D -0.5762 Soluble
11 L D -0.3254 Soluble
12 S D -0.6437 Soluble
13 A D 0.0000 Buried
14 S D -0.2702 Soluble
15 V D 0.5993 Aggregation-prone
16 G D -0.6456 Soluble
17 D D -1.5590 Soluble
18 R D -2.2241 Soluble
19 V D 0.0000 Buried
20 T D -0.6348 Soluble
21 I D 0.0000 Buried
22 T D -1.0259 Soluble
23 C D 0.0000 Buried
24 R D -3.0751 Soluble
25 A D 0.0000 Buried
26 S D -2.1991 Soluble
27 Q D -2.4430 Soluble
28 G D -2.2428 Soluble
29 I D 0.0000 Buried
36 R D -2.6098 Soluble
37 N D -1.8154 Soluble
38 D D 0.0000 Buried
39 L D 0.0000 Buried
40 G D 0.0000 Buried
41 W D 0.0000 Buried
42 Y D 0.0000 Buried
43 Q D -0.9375 Soluble
44 Q D 0.0000 Buried
45 K D -1.6065 Soluble
46 P D -1.4248 Soluble
47 G D -1.6599 Soluble
48 K D -2.5668 Soluble
49 A D -1.6711 Soluble
50 P D 0.0000 Buried
51 K D -1.5689 Soluble
52 R D 0.0000 Buried
53 L D 0.0000 Buried
54 I D 0.0000 Buried
55 Y D 0.5528 Aggregation-prone
56 A D 0.0087 Aggregation-prone
57 A D 0.0000 Buried
65 S D -0.2842 Soluble
66 S D 0.1071 Aggregation-prone
67 L D 0.3476 Aggregation-prone
68 E D -0.3289 Soluble
69 S D -0.4396 Soluble
70 G D -0.6028 Soluble
71 V D 0.0000 Buried
72 P D -0.4217 Soluble
74 S D -0.4323 Soluble
75 R D -0.7204 Soluble
76 F D 0.0000 Buried
77 S D -0.2518 Soluble
78 G D -0.2255 Soluble
79 S D -0.8606 Soluble
80 G D -1.5989 Soluble
83 S D -1.9269 Soluble
84 G D -2.3032 Soluble
85 T D -2.4785 Soluble
86 E D -2.8168 Soluble
87 F D 0.0000 Buried
88 T D -0.9544 Soluble
89 L D 0.0000 Buried
90 T D -0.6238 Soluble
91 I D 0.0000 Buried
92 S D -1.3563 Soluble
93 S D -1.1023 Soluble
94 V D 0.0000 Buried
95 Q D -0.7817 Soluble
96 P D -0.6051 Soluble
97 E D -1.2504 Soluble
98 D D 0.0000 Buried
99 F D -0.2581 Soluble
100 V D 0.0000 Buried
101 T D -0.6782 Soluble
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 L D 0.0000 Buried
106 Q D 0.0000 Buried
107 H D 0.0000 Buried
108 N D -1.2296 Soluble
109 S D -1.3691 Soluble
114 N D -1.5694 Soluble
115 P D -1.5127 Soluble
116 L D 0.0000 Buried
117 T D -1.0174 Soluble
118 F D -0.4236 Soluble
119 G D 0.0000 Buried
120 G D -1.2194 Soluble
121 G D -0.9119 Soluble
122 T D 0.0000 Buried
123 K D -0.9885 Soluble
124 V D 0.0000 Buried
125 E D 0.0000 Buried
126 I D -0.1787 Soluble
127 K D -0.9427 Soluble
128 R D -0.9018 Soluble
129 T D -0.0559 Soluble
130 V D 0.6266 Aggregation-prone
131 A D 0.2142 Aggregation-prone
132 A D -0.0298 Soluble
133 P D 0.0000 Buried
134 S D -0.2053 Soluble
135 V D 0.0000 Buried
136 F D 0.0000 Buried
137 I D 0.0000 Buried
138 F D 0.0000 Buried
139 P D -0.6732 Soluble
140 P D 0.0000 Buried
141 S D -1.5073 Soluble
142 D D -2.5390 Soluble
143 E D -2.2649 Soluble
144 Q D 0.0000 Buried
145 L D -1.7750 Soluble
146 K D -2.5594 Soluble
147 S D -1.5965 Soluble
148 G D -1.1753 Soluble
149 T D -0.7718 Soluble
150 A D 0.0000 Buried
151 S D 0.0000 Buried
152 V D 0.0000 Buried
153 V D 0.0000 Buried
154 C D 0.0000 Buried
155 L D 0.0000 Buried
156 L D 0.0000 Buried
157 N D 0.0000 Buried
158 N D -0.8329 Soluble
159 F D 0.0000 Buried
160 Y D 0.0000 Buried
161 P D -1.1891 Soluble
162 R D -1.7580 Soluble
163 E D -2.6329 Soluble
164 A D -1.9856 Soluble
165 K D -2.4066 Soluble
166 V D -1.0935 Soluble
167 Q D -0.6571 Soluble
168 W D 0.0000 Buried
169 K D -0.5673 Soluble
170 V D 0.0000 Buried
171 D D -2.1279 Soluble
172 N D -1.5995 Soluble
173 A D -0.2507 Soluble
174 L D 0.7489 Aggregation-prone
175 Q D -0.2199 Soluble
176 S D -0.4287 Soluble
177 G D -0.9265 Soluble
178 N D -0.8375 Soluble
179 S D -1.1600 Soluble
180 Q D -1.4284 Soluble
181 E D -1.6845 Soluble
182 S D -0.4692 Soluble
183 V D -0.3092 Soluble
184 T D -0.8407 Soluble
185 E D -2.0233 Soluble
186 Q D -1.7267 Soluble
187 D D -1.8409 Soluble
188 S D -1.6272 Soluble
189 K D -2.2509 Soluble
190 D D -1.7493 Soluble
191 S D -1.6662 Soluble
192 T D 0.0000 Buried
193 Y D 0.0000 Buried
194 S D 0.0000 Buried
195 L D 0.0000 Buried
196 S D 0.0000 Buried
197 S D 0.0000 Buried
198 T D -0.6356 Soluble
199 L D 0.0000 Buried
200 T D -0.3662 Soluble
201 L D -0.3676 Soluble
202 S D -0.8967 Soluble
203 K D -1.9499 Soluble
204 A D -1.6404 Soluble
205 D D -2.0523 Soluble
206 Y D 0.0000 Buried
207 E D -3.3242 Soluble
208 K D -3.4377 Soluble
209 H D -2.9482 Soluble
210 K D -3.4046 Soluble
211 V D -1.9235 Soluble
212 Y D 0.0000 Buried
213 A D -0.6398 Soluble
214 C D 0.0000 Buried
215 E D -0.7817 Soluble
216 V D 0.0000 Buried
217 T D -1.2313 Soluble
218 H D 0.0000 Buried
219 Q D -1.6141 Soluble
220 G D -0.3874 Soluble
221 L D -0.1593 Soluble
222 S D -0.4090 Soluble
223 S D -0.3706 Soluble
224 P D -0.5326 Soluble
225 V D 0.1236 Aggregation-prone
226 T D -0.2589 Soluble
227 K D -0.5441 Soluble
228 S D -0.6434 Soluble
229 F D 0.0000 Buried
230 N D -2.1472 Soluble
231 R D -2.3918 Soluble
232 G D -1.3052 Soluble
233 E D -1.5649 Soluble
234 C D -0.0595 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 -0.7317 3.9943 CSV PDB
4.5 -0.7713 3.9424 CSV PDB
5.0 -0.8167 3.8886 CSV PDB
5.5 -0.859 3.837 CSV PDB
6.0 -0.8874 3.7909 CSV PDB
6.5 -0.8932 3.7497 CSV PDB
7.0 -0.8767 3.7079 CSV PDB
7.5 -0.8456 3.662 CSV PDB
8.0 -0.8064 3.6162 CSV PDB
8.5 -0.7607 3.5793 CSV PDB
9.0 -0.7091 3.5564 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH