Project name: query_structure

Status: done

Started: 2026-03-17 01:00:00
Settings
Chain sequence(s) I: RVCPRILMECKKDSDCLAECVCLEHGYCG
E: IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
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                                          (00:02:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:08)
Show buried residues
Minimal score value
-3.8641
Maximal score value
1.1265
Average score
-0.5888
Total score value
-148.3862
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 -1.1023
19 G E -0.4893
20 Y E 0.5822
21 T E 0.3530
22 C E 0.1423
23 G E -0.0483
24 A E -0.6294
25 N E -0.9218
26 T E -0.5192
27 V E 0.0000
28 P E -0.7380
29 Y E 0.0000
30 Q E 0.0000
31 V E 0.0000
32 S E 0.0000
33 L E 0.0000
34 N E -0.3978
37 S E -0.6188
38 G E -0.4944
39 Y E -0.1222
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 -0.0391
48 N E -0.3872
49 S E -0.3063
50 Q E -0.9319
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 0.0000
58 C E 0.0000
59 Y E 0.7684
60 K E -0.4533
61 S E -0.7183
62 G E -0.9326
63 I E 0.0000
64 Q E -0.6768
65 V E 0.0000
66 R E -0.0563
67 L E 0.0000
69 G E 0.0000
70 E E 0.0000
71 D E -0.5926
72 N E -0.2514
73 I E -0.0608
74 N E -0.3857
75 V E 1.1265
76 V E 1.0612
77 E E -1.1195
78 G E -0.9216
79 N E -1.5492
80 E E -0.8154
81 Q E -0.0765
82 F E 0.7574
83 I E 0.0000
84 S E -0.8705
85 A E -1.2020
86 S E -1.6192
87 K E -1.4646
88 S E -0.2791
89 I E 0.3127
90 V E 0.7387
91 H E 0.0400
92 P E -0.2345
93 S E -0.4091
94 Y E -0.4654
95 N E -1.2478
96 S E -1.1099
97 N E -1.7576
98 T E -1.0319
99 L E 0.0000
100 N E -0.8117
101 N E 0.0000
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 -1.3332
108 L E 0.0000
109 K E -2.1872
110 S E -1.0312
111 A E -0.5940
112 A E 0.0000
113 S E -0.2969
114 L E -0.1091
115 N E -1.4023
116 S E -1.4277
117 R E -2.0419
118 V E 0.0000
119 A E -0.5336
120 S E -0.0918
121 I E -0.0690
122 S E -0.2405
123 L E -0.1938
124 P E 0.0000
125 T E -0.1615
127 S E -0.1468
128 C E 0.0399
129 A E -0.2414
130 S E -0.5307
132 A E -0.6154
133 G E -0.7287
134 T E -0.8674
135 Q E -1.6807
136 C E 0.0000
137 L E -0.6648
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 -0.7429
145 K E -1.5312
146 S E -1.3146
147 S E -0.9630
148 G E -1.2064
149 T E -0.9022
150 S E -0.5741
151 Y E -0.1078
152 P E -0.4423
153 D E -0.9221
154 V E -0.2413
155 L E 0.0000
156 K E -0.1272
157 C E 0.0000
158 L E 0.0000
159 K E -1.8713
160 A E 0.0000
161 P E -0.9511
162 I E 0.0000
163 L E -0.4450
164 S E -1.1992
165 D E -2.2789
166 S E -1.6491
167 S E -1.3030
168 C E 0.0000
169 K E -2.2291
170 S E -1.6242
171 A E 0.0000
172 Y E 0.0000
173 P E -1.0754
174 G E -1.0642
175 Q E -1.0827
176 I E -0.9145
177 T E -0.6912
178 S E -0.6406
179 N E -0.5600
180 M E 0.0000
181 F E -0.4661
182 C E 0.0000
183 A E 0.0000
184A G E 0.0000
184 Y E -1.1348
185 L E -1.8408
186 E E -2.9474
187 G E -2.7061
188A G E -2.0090
188 K E -2.1833
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 -0.3851
201 C E 0.0000
202 S E -0.7197
203 G E -0.6874
204 K E -0.6292
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 S E -1.0057
219 G E -0.6624
220 C E 0.0000
221A A E 0.0000
221 Q E -2.5565
222 K E -3.5284
223 N E -2.8139
224 K E -2.1141
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 -0.4852
231 V E 0.0000
232 C E -0.2780
233 N E -0.7351
234 Y E 0.0000
235 V E -0.6396
236 S E -1.0090
237 W E -0.8888
238 I E 0.0000
239 K E -2.1453
240 Q E -2.0788
241 T E -1.2040
242 I E -1.0651
243 A E -0.9947
244 S E -1.1194
245 N E -1.2363
1 R I -1.3980
2 V I 0.0000
3 C I 0.0000
4 P I 0.0000
5 R I 0.0000
6 I I 0.0000
7 L I 0.0000
8 M I -0.6199
9 E I -2.2569
10 C I 0.0000
11 K I -3.6255
12 K I -3.8641
13 D I -3.0813
14 S I -2.3197
15 D I -2.5144
16 C I -1.5174
17 L I -0.4516
18 A I -1.0857
19 E I -2.1300
20 C I 0.0000
21 V I -1.0219
22 C I -1.9373
23 L I -1.1527
24 E I -2.2374
25 H I -2.0769
26 G I -2.1633
27 Y I -1.5029
28 C I 0.0000
29 G I -0.3789
Download PDB file
View in 3Dmol
Play the video
Laboratory of Theory of Biopolymers 2018