Project name: query_structure

Status: done

Started: 2026-03-16 23:19:37
Settings
Chain sequence(s) I: GCPRILIRCKQDSDCLAGCVCTNNKFCGSP
E: IVGGYTCAANSIPYQVSLNSGSHFCGGSLINSQWVVSAAHCYKSRIQVRLGEHNIDVLEGNEQFINAAKIITHPNFNGNTLDNDIMLIKLSSPATLNSRVATVSLPRSCAAAGTECLISGWGNTKSSGSSYPSLLQCLKAPVLSDSSCKSSYPGQITGNMICVGFLEGGKDSCQGDSGGPVVCNGQLQGIVSWGYGCAQKNKPGVYTKVCNYVNWIQQTIAAN
input PDB
Selected Chain(s) I,E
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log 
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:50)
Show buried residues
Minimal score value
-3.882
Maximal score value
0.9716
Average score
-0.6243
Total score value
-157.9434
Download the table (csv)

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
16 I E 0.0000
17 V E 0.0000
18 G E -0.9992
19 G E -0.3025
20 Y E 0.9716
21 T E 0.6173
22 C E 0.0000
23 A E 0.1474
24 A E -0.1847
25 N E -0.6903
26 S E -0.4338
27 I E 0.0000
28 P E -0.3613
29 Y E -0.1032
30 Q E 0.0000
31 V E 0.0000
32 S E 0.0000
33 L E 0.0000
34 N E -0.9313
37 S E -1.1154
38 G E -0.7308
39 S E -0.7364
40 H E 0.0000
41 F E 0.0000
42 C E 0.0000
43 G E 0.0000
44 G E 0.0000
45 S E 0.0000
46 L E 0.0000
47 I E -0.1759
48 N E -0.8015
49 S E -0.4941
50 Q E -0.7704
51 W E 0.0000
52 V E 0.0000
53 V E 0.0000
54 S E 0.0000
55 A E 0.0000
56 A E 0.0000
57 H E 0.0804
58 C E 0.0000
59 Y E 0.4456
60 K E -0.8748
61 S E -1.2621
62 R E -2.4327
63 I E 0.0000
64 Q E -1.2259
65 V E 0.0000
66 R E -0.1067
67 L E 0.0000
69 G E 0.0000
70 E E 0.0000
71 H E -0.3978
72 N E -0.1886
73 I E -0.2565
74 D E -0.9193
75 V E 0.7388
76 L E 0.6617
77 E E -1.3171
78 G E -1.0564
79 N E -1.3192
80 E E -0.6417
81 Q E -0.1219
82 F E 0.5697
83 I E -0.2825
84 N E -1.6917
85 A E -1.4135
86 A E -1.2148
87 K E -1.4204
88 I E -0.3348
89 I E 0.2063
90 T E 0.1387
91 H E -0.5547
92 P E -0.8576
93 N E -1.5109
94 F E -1.0248
95 N E -1.5796
96 G E -1.4549
97 N E -1.7469
98 T E -1.2565
99 L E 0.0000
100 D E -1.2148
101 N E -0.9582
102 D E 0.0000
103 I E 0.0000
104 M E 0.0000
105 L E 0.0000
106 I E 0.0000
107 K E -1.0785
108 L E 0.0000
109 S E -0.9620
110 S E -0.7177
111 P E -0.5509
112 A E 0.0000
113 T E 0.0923
114 L E 0.4506
115 N E -0.3352
116 S E -0.6741
117 R E -1.0272
118 V E 0.0000
119 A E -0.1033
120 T E -0.0554
121 V E 0.0000
122 S E -0.5514
123 L E -0.1861
124 P E 0.0000
125 R E -1.6956
127 S E -0.7649
128 C E 0.0636
129 A E -0.3276
130 A E -0.2757
132 A E -0.5574
133 G E -0.8790
134 T E -1.2741
135 E E -2.4283
136 C E 0.0000
137 L E -0.8955
138 I E 0.0000
139 S E 0.0000
140 G E 0.0000
141 W E 0.0000
142 G E 0.0000
143 N E 0.0000
144 T E -0.6943
145 K E -1.5529
146 S E -1.2654
147 S E -0.9325
148 G E -1.2052
149 S E -1.0381
150 S E -0.3881
151 Y E 0.1985
152 P E 0.0066
153 S E -0.0880
154 L E 0.4412
155 L E 0.0000
156 Q E 0.2880
157 C E 0.0000
158 L E 0.0000
159 K E -1.8894
160 A E 0.0000
161 P E -1.1387
162 V E 0.0000
163 L E -0.4571
164 S E -1.2060
165 D E -2.3334
166 S E -1.7221
167 S E -1.4405
168 C E 0.0000
169 K E -2.4755
170 S E -1.7485
171 S E 0.0000
172 Y E 0.0000
173 P E -1.2826
174 G E -1.2523
175 Q E -1.3990
176 I E 0.0000
177 T E -1.0358
178 G E -0.9789
179 N E -0.7727
180 M E 0.0000
181 I E -0.4857
182 C E 0.0000
183 V E 0.0000
184 G E 0.0000
184B F E -0.9657
185 L E -1.7142
186 E E -2.8938
187 G E -2.5886
188 G E -1.9438
188B K E -2.1034
189 D E 0.0000
190 S E 0.0000
191 C E 0.0000
192 Q E 0.0000
193 G E 0.0000
194 D E 0.0000
195 S E 0.0000
196 G E 0.0000
197 G E 0.0000
198 P E 0.0000
199 V E 0.0000
200 V E -0.6383
201 C E 0.0000
202 N E -1.8177
203 G E -1.0928
204 Q E -0.9693
209 L E 0.0000
210 Q E 0.0000
211 G E 0.0000
212 I E 0.0000
213 V E 0.0000
214 S E 0.0000
215 W E 0.0000
216 G E 0.0000
217 Y E -0.0573
219 G E -0.2686
220 C E 0.0000
221 A E 0.0000
221B Q E -2.1959
222 K E -3.3237
223 N E -2.6510
224 K E -1.7419
225 P E 0.0000
226 G E 0.0000
227 V E 0.0000
228 Y E 0.0000
229 T E 0.0000
230 K E -0.4978
231 V E 0.0000
232 C E -0.5428
233 N E -0.8717
234 Y E 0.0000
235 V E -0.8604
236 N E -1.7603
237 W E -1.0913
238 I E 0.0000
239 Q E -1.8379
240 Q E -1.9221
241 T E -1.0289
242 I E -0.6284
243 A E -0.7046
244 A E -0.6985
245 N E -1.1228
1 G I -0.6361
2 C I 0.0000
3 P I 0.0000
4 R I 0.0000
5 I I 0.0000
6 L I -0.0112
7 I I -0.9873
8 R I -2.8016
9 C I 0.0000
10 K I -3.8820
11 Q I -3.6955
12 D I -3.1717
13 S I -2.1830
14 D I -2.7784
15 C I -1.4741
16 L I -0.2703
17 A I -0.6504
18 G I -0.5806
19 C I 0.0000
20 V I -1.1849
21 C I -2.4428
22 T I -2.0788
23 N I -2.1641
24 N I -2.3411
25 K I -3.4837
26 F I -2.3239
27 C I 0.0000
28 G I -0.6202
29 S I -0.0213
30 P I -0.1545
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Laboratory of Theory of Biopolymers 2018