Project name: 4fa04eb70a1c298

Status: done

Started: 2025-02-19 14:59:51
Settings
Chain sequence(s) A: MAMSSGGSGGGVPEQEDSVLFRRGTGQSDDSDIWDDTALIKAYDKAVASFKHALKNGDICETSGKPKTTPKRKPAKKNKSQKKNTAASLQQWKVGDKCSAIWSEDGCIYPATIASIDFKRETCVVVYTGYGNREEQNLSDLLSPICEVANNIEQNAQENENESQVSTDESENSRSPGNKSDNIKPKSAPWNSFLPPPPPMPGPRLGPGKPGLKFNGPPPPPPPPPPHLLSCWLPPFPSGPPIIPPPPPICPDSLDDADALGSMLISWYMSGYHTGYYMGFRQNQKEGRCSHSLN
input PDB
Selected Chain(s) A
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 A 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                                          (00:03:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:02)
Show buried residues

Minimal score value
-4.6974
Maximal score value
2.6547
Average score
-0.8429
Total score value
-247.8059

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
1 M A 1.3191
2 A A 1.1345
3 M A 1.1459
4 S A 0.1864
5 S A -0.4329
6 G A -0.8951
7 G A -0.9957
8 S A -0.9122
9 G A -1.0541
10 G A -0.7039
11 G A -0.1767
12 V A 0.7051
13 P A -0.8615
14 E A -2.7268
15 Q A -3.4197
16 E A -3.6451
17 D A -2.7768
18 S A -0.5306
19 V A 1.1799
20 L A 2.1184
21 F A 1.5480
22 R A -1.3138
23 R A -2.3561
24 G A -2.0063
25 T A -1.5488
26 G A -1.7894
27 Q A -2.3738
28 S A -2.7387
29 D A -3.4242
30 D A -3.1960
31 S A -2.2470
32 D A -2.2783
33 I A 0.5758
34 W A 0.3922
35 D A -1.3030
36 D A -1.4906
37 T A -0.7376
38 A A -0.5516
39 L A 0.4881
40 I A 0.5404
41 K A -1.2899
42 A A -0.1201
43 Y A 0.6609
44 D A -1.2267
45 K A -1.6722
46 A A -0.0427
47 V A 0.6667
48 A A -0.4307
49 S A 0.1228
50 F A 1.2751
51 K A -1.1158
52 H A -1.5549
53 A A -0.6068
54 L A -0.2400
55 K A -2.4988
56 N A -2.6400
57 G A -1.5356
58 D A -1.5649
59 I A 1.0485
60 C A 0.1464
61 E A -1.2932
62 T A -0.9305
63 S A -1.3716
64 G A -1.9410
65 K A -2.5831
66 P A -2.1020
67 K A -2.4255
68 T A -1.2957
69 T A -1.0410
70 P A -1.7321
71 K A -3.1503
72 R A -3.6543
73 K A -3.0783
74 P A -2.0103
75 A A -1.9965
76 K A -3.0905
77 K A -3.7123
78 N A -3.5883
79 K A -3.6604
80 S A -2.9865
81 Q A -3.5038
82 K A -3.7404
83 K A -3.5924
84 N A -2.6948
85 T A -1.5071
86 A A -0.3499
87 A A 0.0244
88 S A 0.0553
89 L A 0.5343
90 Q A -1.2527
91 Q A -1.8246
92 W A 0.0000
93 K A -1.6443
94 V A 0.5159
95 G A -0.5517
96 D A -1.4382
97 K A -1.6186
98 C A 0.0000
99 S A 0.0000
100 A A 0.0000
101 I A 0.4456
102 W A -0.6576
103 S A -1.5001
104 E A -2.7066
105 D A -2.4842
106 G A -1.1296
107 C A 0.2584
108 I A 1.7361
109 Y A 1.3339
110 P A 0.4860
111 A A 0.0000
112 T A -0.8817
113 I A 0.0000
114 A A -0.2036
115 S A 0.3091
116 I A -0.3694
117 D A -1.1591
118 F A -0.2757
119 K A -2.3377
120 R A -3.1408
121 E A -2.7763
122 T A -2.1503
123 C A 0.0000
124 V A -0.4264
125 V A 0.0000
126 V A -0.9636
127 Y A 0.0000
128 T A -0.3656
129 G A 0.0214
130 Y A 0.5378
131 G A -0.5109
132 N A -1.3929
133 R A -2.2926
134 E A -1.8258
135 E A -1.8851
136 Q A -1.7230
137 N A -2.2247
138 L A -1.4715
139 S A -1.4566
140 D A -1.8435
141 L A 0.0000
142 L A 0.1296
143 S A -0.2521
144 P A -0.0290
145 I A 1.1855
146 C A 0.5720
147 E A -0.5769
148 V A 0.7211
149 A A 0.0041
150 N A -1.4899
151 N A -1.3370
152 I A 0.0013
153 E A -2.1561
154 Q A -2.8366
155 N A -2.9016
156 A A -2.5419
157 Q A -3.6482
158 E A -4.3190
159 N A -4.3429
160 E A -4.2217
161 N A -4.0012
162 E A -3.3197
163 S A -2.0249
164 Q A -1.1533
165 V A 0.8235
166 S A -0.0924
167 T A -1.0475
168 D A -2.7829
169 E A -3.1923
170 S A -2.7624
171 E A -3.0053
172 N A -2.7181
173 S A -2.2713
174 R A -2.3832
175 S A -1.4254
176 P A -1.2554
177 G A -1.7543
178 N A -2.4596
179 K A -2.9160
180 S A -2.6293
181 D A -2.4807
182 N A -1.6313
183 I A -0.1090
184 K A -1.5947
185 P A -1.6074
186 K A -2.1166
187 S A -1.1863
188 A A -0.5551
189 P A -0.3708
190 W A 0.9035
191 N A -0.0018
192 S A 0.7315
193 F A 2.2133
194 L A 1.7425
195 P A 0.4368
196 P A -0.0490
197 P A -0.2864
198 P A -0.3554
199 P A -0.0695
200 M A 0.5902
201 P A -0.3041
202 G A -0.5442
203 P A -0.8606
204 R A -1.4694
205 L A 0.1812
206 G A -0.4543
207 P A -0.9750
208 G A -1.4156
209 K A -2.0601
210 P A -1.3080
211 G A -0.4434
212 L A 0.5908
213 K A -0.4926
214 F A 0.6588
215 N A -0.8984
216 G A -0.9538
217 P A -0.7591
218 P A -0.8660
219 P A -0.7231
220 P A -0.6874
221 P A -0.6883
222 P A -0.6947
223 P A -0.6953
224 P A -0.7962
225 P A -0.6103
226 P A -0.2973
227 H A 0.0094
228 L A 1.7928
229 L A 2.1878
230 S A 1.6981
231 C A 2.2729
232 W A 2.4181
233 L A 2.4956
234 P A 1.4897
235 P A 1.1085
236 F A 1.7817
237 P A 0.3184
238 S A -0.1804
239 G A -0.1329
240 P A 0.0014
241 P A 0.9192
242 I A 2.2816
243 I A 2.2454
244 P A 0.9302
245 P A 0.1520
246 P A 0.1584
247 P A 0.2140
248 P A 0.3340
249 I A 1.1437
250 C A 0.6158
251 P A -0.4029
252 D A -1.7268
253 S A -1.2295
254 L A -0.4992
255 D A -2.3330
256 D A -2.7028
257 A A -1.5775
258 D A -2.2676
259 A A -1.2014
260 L A -0.0367
261 G A -0.3125
262 S A 0.1497
263 M A 1.0442
264 L A 1.5882
265 I A 2.4889
266 S A 1.6060
267 W A 1.7449
268 Y A 2.6547
269 M A 1.9530
270 S A 1.1576
271 G A 1.8547
272 Y A 2.1091
273 H A 0.9707
274 T A 1.3849
275 G A 1.4077
276 Y A 1.6344
277 Y A 1.3798
278 M A 0.5071
279 G A -0.2467
280 F A -0.2468
281 R A -2.6610
282 Q A -3.3542
283 N A -3.9201
284 Q A -4.0326
285 K A -4.6974
286 E A -4.6256
287 G A -3.6013
288 R A -3.6284
289 C A -1.7653
290 S A -1.6237
291 H A -1.5676
292 S A -0.4580
293 L A 0.5914
294 N A -0.7670
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Laboratory of Theory of Biopolymers 2018