Ponezumab / 3u0t

A4DAB210_3u0t_D_C | Source PDB: 3u0t | Chains: D, C | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.6417
Max Score
1.4325
Min Score
-3.6487
Total Score
-273.38
Score CDR
-0.075
Score non-CDR
-0.7137

Calculation Parameters

Chain Sequence(s) QVQLVQSGAEVKKPGASVKVSCKASGYYTEAYYIHWVRQAPGQGLEWMGRIDPATGNTKYAPRLQDRVTMTRDTSTSTVYMELSSLRSEDTAVYYCASLYSLPVYWGQGTTVTVSSASTKGPSVFPLAPCSSTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSQTYTCNVDHKPSNTKVDKTVERDVVMTQSPLSLPVTLGQPASISCKSSQSLLYSDAKTYLNWFQQRPGQSPRRLIYQISRLDPGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCLQGTHYPVLFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) D (Heavy), C (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 -3.6487
Maximum Score 1.4325
Average Score -0.6417
Total Score -273.3849

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

Index Residue Chain A4D Score Classification
1 Q D -0.9374 Soluble
2 V D 0.0000 Buried
3 Q D -1.3876 Soluble
4 L D 0.0000 Buried
5 V D 0.1930 Aggregation-prone
6 Q D 0.0000 Buried
7 S D -0.6303 Soluble
8 G D -0.7034 Soluble
9 A D -0.3801 Soluble
11 E D -0.8852 Soluble
12 V D -0.2625 Soluble
13 K D -1.5362 Soluble
14 K D -2.4384 Soluble
15 P D -2.1348 Soluble
16 G D -1.6487 Soluble
17 A D -1.2981 Soluble
18 S D -1.3423 Soluble
19 V D 0.0000 Buried
20 K D -1.8773 Soluble
21 V D 0.0000 Buried
22 S D -0.5277 Soluble
23 C D 0.0000 Buried
24 K D -0.9126 Soluble
25 A D 0.0000 Buried
26 S D -0.6318 Soluble
27 G D -0.3533 Soluble
28 Y D 1.0596 Aggregation-prone
29 Y D 1.1152 Aggregation-prone
30 T D -0.2722 Soluble
35 E D -1.1099 Soluble
36 A D -0.0539 Soluble
37 Y D 0.3208 Aggregation-prone
38 Y D 0.1488 Aggregation-prone
39 I D 0.0000 Buried
40 H D 0.0000 Buried
41 W D 0.0000 Buried
42 V D 0.0000 Buried
43 R D 0.0000 Buried
44 Q D -0.6906 Soluble
45 A D -1.1202 Soluble
46 P D -1.1366 Soluble
47 G D -1.2567 Soluble
48 Q D -2.0501 Soluble
49 G D -1.2885 Soluble
50 L D 0.0000 Buried
51 E D -0.5555 Soluble
52 W D 0.0000 Buried
53 M D 0.0000 Buried
54 G D 0.0000 Buried
55 R D -0.7577 Soluble
56 I D 0.0000 Buried
57 D D -1.1189 Soluble
58 P D -1.2946 Soluble
59 A D -0.9372 Soluble
62 T D -0.9560 Soluble
63 G D -1.2163 Soluble
64 N D -1.7509 Soluble
65 T D -1.2351 Soluble
66 K D -1.3022 Soluble
67 Y D -1.1663 Soluble
68 A D 0.0000 Buried
69 P D -1.8887 Soluble
70 R D -2.5409 Soluble
71 L D 0.0000 Buried
72 Q D -2.8055 Soluble
74 D D -2.8924 Soluble
75 R D -2.0038 Soluble
76 V D 0.0000 Buried
77 T D -0.9895 Soluble
78 M D 0.0000 Buried
79 T D -0.8664 Soluble
80 R D -1.5989 Soluble
81 D D -1.5005 Soluble
82 T D -1.1834 Soluble
83 S D -0.6459 Soluble
84 T D -0.7538 Soluble
85 S D -1.1121 Soluble
86 T D 0.0000 Buried
87 V D 0.0000 Buried
88 Y D -0.5976 Soluble
89 M D 0.0000 Buried
90 E D -1.1905 Soluble
91 L D 0.0000 Buried
92 S D -1.2747 Soluble
93 S D -1.3999 Soluble
94 L D 0.0000 Buried
95 R D -3.0806 Soluble
96 S D -2.3980 Soluble
97 E D -2.6521 Soluble
98 D D 0.0000 Buried
99 T D -1.0323 Soluble
100 A D 0.0000 Buried
101 V D 0.2095 Aggregation-prone
102 Y D 0.0000 Buried
103 Y D 0.0000 Buried
104 C D 0.0000 Buried
105 A D 0.0000 Buried
106 S D 0.0000 Buried
107 L D 0.0000 Buried
108 Y D 1.3020 Aggregation-prone
109 S D 1.2492 Aggregation-prone
114 L D 1.4325 Aggregation-prone
115 P D 0.6846 Aggregation-prone
116 V D 0.7535 Aggregation-prone
117 Y D -0.0344 Soluble
118 W D -0.2022 Soluble
119 G D 0.0000 Buried
120 Q D -1.1391 Soluble
121 G D -0.4549 Soluble
122 T D 0.0000 Buried
123 T D -0.1402 Soluble
124 V D 0.0000 Buried
125 T D 0.0000 Buried
126 V D 0.0000 Buried
127 S D -1.2006 Soluble
128 S D -0.9483 Soluble
129 A D -0.5886 Soluble
130 S D -0.5677 Soluble
131 T D -0.6438 Soluble
132 K D -1.1977 Soluble
133 G D -1.3912 Soluble
134 P D 0.0000 Buried
135 S D -0.3397 Soluble
136 V D 0.0000 Buried
137 F D -0.4648 Soluble
138 P D -0.7323 Soluble
139 L D 0.0000 Buried
140 A D -0.7232 Soluble
141 P D -0.3520 Soluble
142 C D -0.1828 Soluble
143 S D -0.4016 Soluble
144 S D -0.3917 Soluble
145 T D -0.3530 Soluble
146 A D -0.4498 Soluble
147 A D 0.0000 Buried
148 L D 0.0000 Buried
149 G D 0.0000 Buried
150 C D 0.0000 Buried
151 L D 0.0000 Buried
152 V D 0.0000 Buried
153 K D 0.0000 Buried
154 D D -0.4314 Soluble
155 Y D 0.0000 Buried
156 F D 0.0000 Buried
157 P D -0.7349 Soluble
158 E D -0.9895 Soluble
159 P D -1.0026 Soluble
160 V D -0.8324 Soluble
161 T D -0.6520 Soluble
162 V D -0.2746 Soluble
163 S D -0.5233 Soluble
164 W D 0.0000 Buried
165 N D -0.8897 Soluble
166 S D -0.8085 Soluble
167 G D -0.5286 Soluble
168 A D -0.2351 Soluble
169 L D -0.0737 Soluble
170 T D -0.1693 Soluble
171 S D -0.1888 Soluble
172 G D -0.2193 Soluble
173 V D 0.1266 Aggregation-prone
174 H D -0.3559 Soluble
175 T D -0.1514 Soluble
176 F D 0.0000 Buried
177 P D -0.3586 Soluble
178 A D 0.0384 Aggregation-prone
179 V D 0.2877 Aggregation-prone
180 L D 0.6302 Aggregation-prone
181 Q D 0.1418 Aggregation-prone
182 S D -0.1373 Soluble
183 S D -0.2331 Soluble
184 G D 0.0025 Aggregation-prone
185 L D -0.0197 Soluble
186 Y D 0.2284 Aggregation-prone
187 S D 0.0000 Buried
188 L D 0.0000 Buried
189 S D 0.0000 Buried
190 S D 0.0000 Buried
191 V D 0.0000 Buried
192 V D 0.0000 Buried
193 T D -0.1510 Soluble
194 V D 0.0000 Buried
195 P D -0.6499 Soluble
196 S D -0.9588 Soluble
197 S D -0.6129 Soluble
198 Q D -1.9358 Soluble
199 T D -1.3989 Soluble
200 Y D 0.0000 Buried
201 T D -1.0412 Soluble
202 C D 0.0000 Buried
203 N D -1.5597 Soluble
204 V D 0.0000 Buried
205 D D -2.0547 Soluble
206 H D 0.0000 Buried
207 K D -2.8703 Soluble
208 P D -1.7903 Soluble
209 S D -1.8740 Soluble
210 N D -2.6530 Soluble
211 T D -2.1247 Soluble
212 K D -2.7523 Soluble
213 V D -1.5585 Soluble
214 D D -2.3640 Soluble
215 K D -1.5535 Soluble
216 T D -1.0957 Soluble
217 V D 0.0000 Buried
218 E D -2.9815 Soluble
219 R D -2.9727 Soluble
1 D C -1.2119 Soluble
2 V C -0.0317 Soluble
3 V C 1.0178 Aggregation-prone
4 M C 0.0000 Buried
5 T C -0.2220 Soluble
6 Q C 0.0000 Buried
7 S C -0.0693 Soluble
8 P C 0.2460 Aggregation-prone
9 L C 0.9980 Aggregation-prone
10 S C 0.3114 Aggregation-prone
11 L C 0.0822 Aggregation-prone
12 P C -0.3725 Soluble
13 V C 0.0000 Buried
14 T C -0.6370 Soluble
15 L C -0.1081 Soluble
16 G C -1.2152 Soluble
17 Q C -1.6853 Soluble
18 P C -1.8103 Soluble
19 A C -1.1304 Soluble
20 S C -0.6965 Soluble
21 I C 0.0000 Buried
22 S C -0.6201 Soluble
23 C C 0.0000 Buried
24 K C -1.4962 Soluble
25 S C -0.7305 Soluble
26 S C -0.8131 Soluble
27 Q C -1.3855 Soluble
28 S C -0.5527 Soluble
29 L C 0.0000 Buried
30 L C 0.9635 Aggregation-prone
31 Y C 0.9081 Aggregation-prone
32 S C -0.0581 Soluble
34 D C -0.7461 Soluble
35 A C -0.3834 Soluble
36 K C -0.6432 Soluble
37 T C 0.0000 Buried
38 Y C 0.4314 Aggregation-prone
39 L C 0.0000 Buried
40 N C -0.0907 Soluble
41 W C 0.0000 Buried
42 F C 0.0000 Buried
43 Q C 0.0000 Buried
44 Q C -0.9056 Soluble
45 R C -1.5006 Soluble
46 P C -1.3483 Soluble
47 G C -1.4211 Soluble
48 Q C -1.7119 Soluble
49 S C -1.1792 Soluble
50 P C 0.0000 Buried
51 R C -0.9946 Soluble
52 R C 0.0000 Buried
53 L C 0.0000 Buried
54 I C 0.0000 Buried
55 Y C -0.0661 Soluble
56 Q C -0.6198 Soluble
57 I C -0.5718 Soluble
65 S C -1.0191 Soluble
66 R C -1.6879 Soluble
67 L C -0.8189 Soluble
68 D C 0.0000 Buried
69 P C -0.3916 Soluble
70 G C -0.7378 Soluble
71 V C 0.0000 Buried
72 P C -1.1533 Soluble
74 D C -2.2013 Soluble
75 R C -2.1254 Soluble
76 F C 0.0000 Buried
77 S C -1.2778 Soluble
78 G C -0.8206 Soluble
79 S C -0.8743 Soluble
80 G C -0.8927 Soluble
83 S C -0.6704 Soluble
84 G C -0.4785 Soluble
85 T C -1.2905 Soluble
86 D C -1.9037 Soluble
87 F C 0.0000 Buried
88 T C -0.8604 Soluble
89 L C 0.0000 Buried
90 K C -1.5717 Soluble
91 I C 0.0000 Buried
92 S C -2.2020 Soluble
93 R C -2.9096 Soluble
94 V C 0.0000 Buried
95 E C -2.0772 Soluble
96 A C -1.5041 Soluble
97 E C -2.1705 Soluble
98 D C 0.0000 Buried
99 V C -0.9723 Soluble
100 G C 0.0000 Buried
101 V C -0.0264 Soluble
102 Y C 0.0000 Buried
103 Y C 0.0000 Buried
104 C C 0.0000 Buried
105 L C 0.0000 Buried
106 Q C 0.0000 Buried
107 G C 0.4084 Aggregation-prone
108 T C 0.5266 Aggregation-prone
109 H C 0.2169 Aggregation-prone
114 Y C 0.6380 Aggregation-prone
115 P C 0.0000 Buried
116 V C 0.0000 Buried
117 L C 0.5537 Aggregation-prone
118 F C 0.1888 Aggregation-prone
119 G C 0.0000 Buried
120 Q C -1.1281 Soluble
121 G C 0.0000 Buried
122 T C 0.0000 Buried
123 R C -0.4083 Soluble
124 L C 0.0000 Buried
125 E C 0.0000 Buried
126 I C 0.0000 Buried
127 K C -0.7448 Soluble
128 R C -0.7009 Soluble
129 T C -0.0537 Soluble
130 V C 0.4898 Aggregation-prone
131 A C 0.1225 Aggregation-prone
132 A C -0.0785 Soluble
133 P C 0.0000 Buried
134 S C -0.1462 Soluble
135 V C 0.0000 Buried
136 F C -0.0067 Soluble
137 I C 0.0000 Buried
138 F C 0.0000 Buried
139 P C -0.2324 Soluble
140 P C 0.0000 Buried
141 S C -1.5920 Soluble
142 D C -2.9273 Soluble
143 E C -2.9810 Soluble
144 Q C 0.0000 Buried
145 L C -2.3597 Soluble
146 K C -2.9010 Soluble
147 S C -1.8183 Soluble
148 G C -1.2731 Soluble
149 T C -1.1213 Soluble
150 A C 0.0000 Buried
151 S C 0.0000 Buried
152 V C 0.0000 Buried
153 V C 0.0000 Buried
154 C C 0.0000 Buried
155 L C 0.0000 Buried
156 L C 0.0000 Buried
157 N C 0.0000 Buried
158 N C -0.8096 Soluble
159 F C 0.0000 Buried
160 Y C 0.0000 Buried
161 P C -1.0780 Soluble
162 R C -1.5917 Soluble
163 E C -2.4861 Soluble
164 A C -1.8338 Soluble
165 K C -1.8207 Soluble
166 V C -0.8245 Soluble
167 Q C -0.3227 Soluble
168 W C 0.0000 Buried
169 K C -0.4018 Soluble
170 V C 0.0000 Buried
171 D C -1.6749 Soluble
172 N C -1.3789 Soluble
173 A C -0.2526 Soluble
174 L C 0.7756 Aggregation-prone
175 Q C -0.0437 Soluble
176 S C -0.4111 Soluble
177 G C -0.8519 Soluble
178 N C -0.7692 Soluble
179 S C -1.0495 Soluble
180 Q C -1.3731 Soluble
181 E C -1.7901 Soluble
182 S C -0.7476 Soluble
183 V C -0.6530 Soluble
184 T C -1.0118 Soluble
185 E C -2.1744 Soluble
186 Q C -1.8417 Soluble
187 D C -2.2345 Soluble
188 S C -2.2098 Soluble
189 K C -2.3382 Soluble
190 D C -1.8322 Soluble
191 S C -1.6579 Soluble
192 T C 0.0000 Buried
193 Y C 0.0000 Buried
194 S C 0.0000 Buried
195 L C 0.0000 Buried
196 S C 0.0000 Buried
197 S C 0.0000 Buried
198 T C -0.6302 Soluble
199 L C 0.0000 Buried
200 T C -0.2781 Soluble
201 L C -0.7896 Soluble
202 S C -1.2624 Soluble
203 K C -2.2660 Soluble
204 A C -2.1544 Soluble
205 D C -3.0887 Soluble
206 Y C 0.0000 Buried
207 E C -3.4561 Soluble
208 K C -3.6487 Soluble
209 H C -2.8522 Soluble
210 K C -2.6058 Soluble
211 V C -0.9610 Soluble
212 Y C 0.0000 Buried
213 A C -0.6069 Soluble
214 C C 0.0000 Buried
215 E C -0.6160 Soluble
216 V C 0.0000 Buried
217 T C -1.0267 Soluble
218 H C 0.0000 Buried
219 Q C -1.5623 Soluble
220 G C -0.4192 Soluble
221 L C -0.1825 Soluble
222 S C -0.4238 Soluble
223 S C -0.4327 Soluble
224 P C -0.4766 Soluble
225 V C -0.0380 Soluble
226 T C -0.5156 Soluble
227 K C -0.8511 Soluble
228 S C -0.5973 Soluble
229 F C 0.0000 Buried
230 N C -1.4605 Soluble
231 R C -1.8786 Soluble
232 G C -1.7808 Soluble
233 E C -2.0509 Soluble
234 C C -0.4428 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 -0.6024 2.3337 CSV PDB
4.5 -0.6515 2.3337 CSV PDB
5.0 -0.7106 2.3337 CSV PDB
5.5 -0.7693 2.3337 CSV PDB
6.0 -0.816 2.3337 CSV PDB
6.5 -0.8411 2.3337 CSV PDB
7.0 -0.8428 2.3337 CSV PDB
7.5 -0.828 2.3337 CSV PDB
8.0 -0.8041 2.3337 CSV PDB
8.5 -0.7731 2.3336 CSV PDB
9.0 -0.7349 2.3332 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH