Caxmotabart / 8pwh

A4DAB060_8pwh_B_A | Source PDB: 8pwh | Chains: B, A | Done
100
Yes
10 Å
Yes
Avg A4D Score
-0.764
Max Score
2.1668
Min Score
-3.9207
Total Score
-331.57
Score CDR
-0.6357
Score non-CDR
-0.7796

Calculation Parameters

Chain Sequence(s) EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input.pdb
Selected Chain(s) B (Heavy), A (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 -3.9207
Maximum Score 2.1668
Average Score -0.764
Total Score -331.5669

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

Index Residue Chain A4D Score Classification
1 E B -2.1749 Soluble
2 V B -1.4411 Soluble
3 Q B -1.3280 Soluble
4 L B -0.0833 Soluble
5 V B 1.1187 Aggregation-prone
6 E B 0.1295 Aggregation-prone
7 S B -0.2634 Soluble
8 G B -0.6338 Soluble
9 G B -0.2635 Soluble
11 G B -0.2516 Soluble
12 L B -0.1852 Soluble
13 V B 0.0000 Buried
14 Q B -1.6227 Soluble
15 P B -1.6763 Soluble
16 G B -1.3554 Soluble
17 G B -1.0989 Soluble
18 S B -1.0137 Soluble
19 L B -0.8587 Soluble
20 R B -1.5190 Soluble
21 L B 0.0000 Buried
22 S B -0.2025 Soluble
23 C B 0.0000 Buried
24 A B -0.0253 Soluble
25 A B -0.4674 Soluble
26 S B -0.9459 Soluble
27 G B -1.5662 Soluble
28 F B -1.4928 Soluble
29 N B -2.1566 Soluble
30 I B 0.0000 Buried
35 K B -2.9790 Soluble
36 D B -2.7919 Soluble
37 T B 0.0000 Buried
38 Y B -0.4255 Soluble
39 I B 0.0000 Buried
40 H B 0.0000 Buried
41 W B 0.0000 Buried
42 V B 0.0000 Buried
43 R B -0.8673 Soluble
44 Q B -1.0889 Soluble
45 A B -1.4693 Soluble
46 P B -1.1974 Soluble
47 G B -1.4551 Soluble
48 K B -2.5703 Soluble
49 G B -2.0058 Soluble
50 L B 0.0000 Buried
51 E B -2.1697 Soluble
52 W B 0.0000 Buried
53 V B 0.0000 Buried
54 A B 0.0000 Buried
55 R B -0.5022 Soluble
56 I B 0.0000 Buried
57 Y B -0.3240 Soluble
58 P B 0.0000 Buried
59 T B -1.4663 Soluble
62 N B -1.3099 Soluble
63 G B -0.4505 Soluble
64 Y B 0.4860 Aggregation-prone
65 T B -0.3691 Soluble
66 R B -1.6419 Soluble
67 Y B -1.7047 Soluble
68 A B -1.9543 Soluble
69 D B -2.6646 Soluble
70 S B -1.6870 Soluble
71 V B 0.0000 Buried
72 K B -2.8675 Soluble
74 G B -1.8243 Soluble
75 R B -1.4266 Soluble
76 F B 0.0000 Buried
77 T B -0.9962 Soluble
78 I B 0.0000 Buried
79 S B -0.3385 Soluble
80 A B -0.9846 Soluble
81 D B -2.2613 Soluble
82 T B -2.3049 Soluble
83 S B -1.8202 Soluble
84 K B -2.3099 Soluble
85 N B -2.0617 Soluble
86 T B 0.0000 Buried
87 A B 0.0000 Buried
88 Y B -0.5558 Soluble
89 L B 0.0000 Buried
90 Q B -1.0932 Soluble
91 M B 0.0000 Buried
92 N B -1.3084 Soluble
93 S B -1.2251 Soluble
94 L B 0.0000 Buried
95 R B -2.1654 Soluble
96 A B -1.7214 Soluble
97 E B -2.2167 Soluble
98 D B 0.0000 Buried
99 T B -0.7313 Soluble
100 A B 0.0000 Buried
101 V B 0.0611 Aggregation-prone
102 Y B 0.0000 Buried
103 Y B 0.0000 Buried
104 C B 0.0000 Buried
105 S B 0.0000 Buried
106 R B -0.0415 Soluble
107 W B 0.0000 Buried
108 G B -0.6612 Soluble
109 G B -1.5697 Soluble
110 D B -2.0791 Soluble
111 G B -1.0791 Soluble
112 F B -0.2334 Soluble
113 Y B 0.1004 Aggregation-prone
114 A B 0.0000 Buried
115 M B 0.0000 Buried
116 D B 0.0000 Buried
117 Y B -0.2628 Soluble
118 W B 0.0000 Buried
119 G B -0.6948 Soluble
120 Q B -1.4105 Soluble
121 G B -0.7311 Soluble
122 T B -0.0983 Soluble
123 L B 0.2439 Aggregation-prone
124 V B 0.0000 Buried
125 T B 0.0000 Buried
126 V B 0.0000 Buried
127 S B -0.9297 Soluble
128 S B -0.8082 Soluble
129 A B -0.5829 Soluble
130 S B -0.7155 Soluble
131 T B -1.1045 Soluble
132 K B -1.7593 Soluble
133 G B -1.8073 Soluble
134 P B 0.0000 Buried
135 S B -0.3768 Soluble
136 V B -0.4928 Soluble
137 F B 0.0000 Buried
138 P B -1.1647 Soluble
139 L B 0.0000 Buried
140 A B -0.8691 Soluble
141 P B -0.8183 Soluble
142 S B -0.9890 Soluble
143 S B -1.1619 Soluble
144 K B -1.9617 Soluble
145 S B 0.0000 Buried
146 T B -0.8932 Soluble
147 S B -0.7512 Soluble
148 G B -0.8410 Soluble
149 G B -0.9294 Soluble
150 T B -0.6523 Soluble
151 A B 0.0000 Buried
152 A B 0.0000 Buried
153 L B 0.0000 Buried
154 G B 0.0000 Buried
155 C B 0.0000 Buried
156 L B 0.0000 Buried
157 V B 0.0000 Buried
158 K B 0.0000 Buried
159 D B -0.8243 Soluble
160 Y B 0.0000 Buried
161 F B 0.0000 Buried
162 P B 0.0000 Buried
163 E B -0.6296 Soluble
164 P B -0.7858 Soluble
165 V B 0.0000 Buried
166 T B -0.7002 Soluble
167 V B -0.4550 Soluble
168 S B -0.3996 Soluble
169 W B 0.0000 Buried
170 N B -0.5032 Soluble
171 S B -0.4982 Soluble
172 G B -0.2641 Soluble
173 A B 0.2276 Aggregation-prone
174 L B 1.1484 Aggregation-prone
175 T B 0.4419 Aggregation-prone
176 S B 0.2467 Aggregation-prone
177 G B 0.0278 Aggregation-prone
178 V B 0.4506 Aggregation-prone
179 H B -0.2113 Soluble
180 T B -0.0883 Soluble
181 F B 0.0000 Buried
182 P B -0.1506 Soluble
183 A B 0.2252 Aggregation-prone
184 V B 0.2294 Aggregation-prone
185 L B 0.5469 Aggregation-prone
186 Q B -0.2292 Soluble
187 S B -0.3321 Soluble
188 S B -0.2800 Soluble
189 G B -0.0713 Soluble
190 L B -0.1760 Soluble
191 Y B 0.2121 Aggregation-prone
192 S B 0.0000 Buried
193 L B 0.0000 Buried
194 S B 0.0000 Buried
195 S B 0.0000 Buried
196 V B 0.0000 Buried
197 V B 0.0000 Buried
198 T B -0.1416 Soluble
199 V B -0.0847 Soluble
200 P B -0.5501 Soluble
201 S B -0.7052 Soluble
202 S B -0.6160 Soluble
203 S B -0.5912 Soluble
204 L B -0.7741 Soluble
205 G B -1.0977 Soluble
206 T B -0.8319 Soluble
207 Q B -1.4543 Soluble
208 T B -1.3698 Soluble
209 Y B -0.9739 Soluble
210 I B -1.3351 Soluble
211 C B 0.0000 Buried
212 N B -1.7593 Soluble
213 V B 0.0000 Buried
214 N B -2.0672 Soluble
215 H B 0.0000 Buried
216 K B -2.8361 Soluble
217 P B -1.6887 Soluble
218 S B -2.0487 Soluble
219 N B -2.6171 Soluble
220 T B -2.3842 Soluble
221 K B -2.7617 Soluble
222 V B -1.7651 Soluble
223 D B -2.6352 Soluble
224 K B -2.2465 Soluble
225 K B -2.6403 Soluble
226 V B 0.0000 Buried
227 E B -2.5451 Soluble
228 P B -1.4034 Soluble
1 D A -1.9982 Soluble
2 I A -1.6648 Soluble
3 Q A -2.0914 Soluble
4 M A 0.0000 Buried
5 T A -1.3374 Soluble
6 Q A 0.0000 Buried
7 S A -0.6168 Soluble
8 P A -0.5275 Soluble
9 S A -0.6486 Soluble
10 S A -0.4128 Soluble
11 L A -0.3775 Soluble
12 S A -1.1139 Soluble
13 A A -1.2931 Soluble
14 S A -1.0014 Soluble
15 V A 0.2671 Aggregation-prone
16 G A -0.7989 Soluble
17 D A -1.8332 Soluble
18 R A -2.4039 Soluble
19 V A 0.0000 Buried
20 T A -0.6040 Soluble
21 I A 0.0000 Buried
22 T A -0.8624 Soluble
23 C A 0.0000 Buried
24 R A -2.7647 Soluble
25 A A 0.0000 Buried
26 S A -2.1784 Soluble
27 Q A -2.9256 Soluble
28 D A -2.9217 Soluble
29 V A 0.0000 Buried
36 N A -2.0251 Soluble
37 T A -1.1880 Soluble
38 A A -0.0497 Soluble
39 V A 0.0000 Buried
40 A A 0.0000 Buried
41 W A 0.0000 Buried
42 Y A 0.0000 Buried
43 Q A -0.7516 Soluble
44 Q A 0.0000 Buried
45 K A -1.8763 Soluble
46 P A -1.4998 Soluble
47 G A -1.7575 Soluble
48 K A -2.5298 Soluble
49 A A -1.7042 Soluble
50 P A 0.0000 Buried
51 K A -1.2876 Soluble
52 L A 0.0000 Buried
53 L A 0.0000 Buried
54 I A 0.0000 Buried
55 Y A 1.0948 Aggregation-prone
56 S A 0.3347 Aggregation-prone
57 A A 0.0000 Buried
65 S A 0.4954 Aggregation-prone
66 F A 2.1668 Aggregation-prone
67 L A 1.4587 Aggregation-prone
68 Y A 0.9498 Aggregation-prone
69 S A 0.1326 Aggregation-prone
70 G A -0.3409 Soluble
71 V A 0.0022 Aggregation-prone
72 P A -0.2633 Soluble
74 S A -0.3772 Soluble
75 R A -0.8398 Soluble
76 F A 0.0000 Buried
77 S A 0.0037 Aggregation-prone
78 G A -0.2740 Soluble
79 S A -1.1720 Soluble
80 R A -2.5525 Soluble
83 S A -1.7220 Soluble
84 G A -1.9580 Soluble
85 T A -2.4847 Soluble
86 D A -2.2051 Soluble
87 F A 0.0000 Buried
88 T A -1.0178 Soluble
89 L A 0.0000 Buried
90 T A -0.6569 Soluble
91 I A 0.0000 Buried
92 S A -1.3458 Soluble
93 S A -1.0700 Soluble
94 L A 0.0000 Buried
95 Q A -1.0318 Soluble
96 P A -1.6182 Soluble
97 E A -2.5028 Soluble
98 D A 0.0000 Buried
99 F A 0.0000 Buried
100 A A 0.0000 Buried
101 T A -0.7177 Soluble
102 Y A 0.0000 Buried
103 Y A 0.0000 Buried
104 C A 0.0000 Buried
105 Q A 0.0000 Buried
106 Q A 0.0000 Buried
107 H A 0.3960 Aggregation-prone
108 Y A 0.5187 Aggregation-prone
109 T A 0.1907 Aggregation-prone
114 T A -0.3490 Soluble
115 P A -0.8737 Soluble
116 P A 0.0000 Buried
117 T A -0.8065 Soluble
118 F A 0.0000 Buried
119 G A -1.5069 Soluble
120 Q A -1.7318 Soluble
121 G A 0.0000 Buried
122 T A 0.0000 Buried
123 K A -0.8988 Soluble
124 V A 0.0000 Buried
125 E A -1.2253 Soluble
126 I A 0.0000 Buried
127 K A -1.9749 Soluble
128 R A -1.8239 Soluble
129 T A -0.4157 Soluble
130 V A 0.6501 Aggregation-prone
131 A A 0.0578 Aggregation-prone
132 A A 0.1980 Aggregation-prone
133 P A 0.1099 Aggregation-prone
134 S A -0.0884 Soluble
135 V A 0.1772 Aggregation-prone
136 F A 0.0000 Buried
137 I A 0.0000 Buried
138 F A 0.0000 Buried
139 P A -0.3680 Soluble
140 P A -0.9837 Soluble
141 S A -1.6480 Soluble
142 D A -3.0132 Soluble
143 E A -3.3042 Soluble
144 Q A 0.0000 Buried
145 L A -2.1335 Soluble
146 K A -2.9835 Soluble
147 S A -1.9534 Soluble
148 G A -1.3634 Soluble
149 T A -0.9462 Soluble
150 A A 0.0000 Buried
151 S A 0.0000 Buried
152 V A 0.0000 Buried
153 V A 0.0000 Buried
154 C A 0.0000 Buried
155 L A 0.0000 Buried
156 L A 0.0000 Buried
157 N A -0.1991 Soluble
158 N A -0.5880 Soluble
159 F A 0.0000 Buried
160 Y A -1.0213 Soluble
161 P A -1.6828 Soluble
162 R A -2.9697 Soluble
163 E A -3.3484 Soluble
164 A A -2.4134 Soluble
165 K A -2.6300 Soluble
166 V A -1.0646 Soluble
167 Q A -0.4573 Soluble
168 W A 0.0000 Buried
169 K A -1.1695 Soluble
170 V A 0.0000 Buried
171 D A -2.7432 Soluble
172 N A -1.9400 Soluble
173 A A -0.6532 Soluble
174 L A 0.6855 Aggregation-prone
175 Q A -0.1177 Soluble
176 S A -0.4917 Soluble
177 G A -0.8546 Soluble
178 N A -1.1408 Soluble
179 S A -1.2253 Soluble
180 Q A -1.4918 Soluble
181 E A -1.8233 Soluble
182 S A -0.6916 Soluble
183 V A -0.5001 Soluble
184 T A -0.7773 Soluble
185 E A -1.6136 Soluble
186 Q A 0.0000 Buried
187 D A -2.0139 Soluble
188 S A -2.3095 Soluble
189 K A -2.8239 Soluble
190 D A -2.2188 Soluble
191 S A 0.0000 Buried
192 T A 0.0000 Buried
193 Y A -1.1562 Soluble
194 S A 0.0000 Buried
195 L A 0.0000 Buried
196 S A 0.0000 Buried
197 S A 0.0000 Buried
198 T A 0.0000 Buried
199 L A 0.0000 Buried
200 T A -0.3297 Soluble
201 L A -0.8865 Soluble
202 S A -1.2476 Soluble
203 K A -2.3052 Soluble
204 A A -1.9934 Soluble
205 D A -3.2183 Soluble
206 Y A 0.0000 Buried
207 E A -3.9052 Soluble
208 K A -3.9207 Soluble
209 H A -3.2714 Soluble
210 K A -3.1385 Soluble
211 V A -1.6525 Soluble
212 Y A 0.0000 Buried
213 A A 0.0000 Buried
214 C A 0.0000 Buried
215 E A -0.6495 Soluble
216 V A 0.0000 Buried
217 T A -1.0483 Soluble
218 H A 0.0000 Buried
219 Q A -1.8266 Soluble
220 G A -0.5889 Soluble
221 L A -0.0459 Soluble
222 S A -0.3467 Soluble
223 S A -0.2276 Soluble
224 P A -0.2113 Soluble
225 V A 0.6593 Aggregation-prone
226 T A -0.1576 Soluble
227 K A -0.7687 Soluble
228 S A -0.8566 Soluble
229 F A -0.9347 Soluble
230 N A -1.2698 Soluble
231 R A -1.8139 Soluble
232 G A -2.0310 Soluble
233 E A -2.0492 Soluble
234 C A -0.6707 Soluble

3D Structure — colored by A4D score

Sequence - click residue to focus in viewer  |  colored by A4D score
Load structure to view sequence…
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 -0.7669 3.7307 CSV PDB
4.5 -0.8171 3.7307 CSV PDB
5.0 -0.8758 3.7307 CSV PDB
5.5 -0.9318 3.7307 CSV PDB
6.0 -0.9725 3.7307 CSV PDB
6.5 -0.989 3.7307 CSV PDB
7.0 -0.9818 3.7307 CSV PDB
7.5 -0.9595 3.7307 CSV PDB
8.0 -0.9286 3.7307 CSV PDB
8.5 -0.8908 3.7306 CSV PDB
9.0 -0.845 3.7302 CSV PDB
Average A4D Score vs pH
Max A4D Score vs pH