Project name: Ovenbird

Status: done

Started: 2025-02-24 07:39:05
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Chain sequence(s) A: MGSIGAASMEFCFDVFKELKVHHANENIFYCPIAIMSALAMVYLGAKDSTRTQINKVVRFDKLPGFGDSIEAQCGTSVNVHSSLRDILNQITKPNDVYSFSLASRLYAEERYPILPEYLQCVKELYRGGLEPINFQTAADQARELINSWVESQTNGIIRNVLQPSSVDSQTAMVLVNAIVFKGLWEKAFKDEDTQAMPFRVTEQESKPVQMMYQIGLFRVASMASEKMKILELPFASGTMSMLVLLPDEVSGLEQLESIINFEKLTEWTSSNVMEERKIKVYLPRMKMEEKYNLTSVLMAMGITDVFSSSANLSGISSAESLKISQAVHAAHAEINEAGREVVGSAEAGVDAASVSEEFRADHPFLFCIKHIATNAVLFFGRCVSP
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                                          (00:09:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:52)
Show buried residues

Minimal score value
-3.9185
Maximal score value
1.0119
Average score
-0.8885
Total score value
-342.9653

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 1.0119
2 G A 0.1531
3 S A -0.1573
4 I A -0.2708
5 G A 0.0000
6 A A -0.5576
7 A A 0.0000
8 S A 0.0000
9 M A 0.0000
10 E A -0.7465
11 F A 0.0000
12 C A 0.0000
13 F A -0.8282
14 D A -1.3367
15 V A 0.0000
16 F A 0.0000
17 K A -1.9856
18 E A 0.0000
19 L A 0.0000
20 K A -1.4830
21 V A 0.2566
22 H A -1.0520
23 H A -1.3668
24 A A -1.3188
25 N A -2.3223
26 E A -2.5599
27 N A -1.7081
28 I A 0.0000
29 F A 0.0000
30 Y A 0.0000
31 C A 0.0000
32 P A 0.0000
33 I A 0.0000
34 A A 0.0000
35 I A 0.0000
36 M A 0.0000
37 S A 0.0000
38 A A 0.0000
39 L A 0.0000
40 A A 0.0000
41 M A 0.0000
42 V A 0.0000
43 Y A 0.0000
44 L A 0.0000
45 G A 0.0000
46 A A 0.0000
47 K A -2.6012
48 D A -2.8052
49 S A -1.7310
50 T A 0.0000
51 R A -2.1529
52 T A -1.8003
53 Q A -1.5539
54 I A 0.0000
55 N A -1.7039
56 K A -2.3508
57 V A 0.0000
58 V A 0.0000
59 R A -1.7099
60 F A 0.0000
61 D A -1.1819
62 K A -0.8688
63 L A 0.0000
64 P A 0.0472
65 G A -0.1678
66 F A 0.6632
67 G A -0.4392
68 D A -1.3466
69 S A -0.5935
70 I A 0.3144
71 E A -1.4509
72 A A -0.8869
73 Q A -1.8701
74 C A -1.3783
75 G A -0.9678
76 T A -0.6232
77 S A -0.1707
78 V A -0.1117
79 N A 0.0151
80 V A 0.0000
81 H A 0.0000
82 S A -1.0902
83 S A -0.8050
84 L A 0.0000
85 R A -2.3515
86 D A -2.6127
87 I A 0.0000
88 L A 0.0000
89 N A -2.5270
90 Q A -2.4774
91 I A 0.0000
92 T A 0.0000
93 K A -2.5220
94 P A -2.0418
95 N A -2.1842
96 D A -2.0683
97 V A -1.4385
98 Y A 0.0000
99 S A -1.3786
100 F A 0.0000
101 S A -0.6537
102 L A -0.1235
103 A A 0.0000
104 S A -0.5047
105 R A -0.7078
106 L A 0.0000
107 Y A 0.0000
108 A A 0.0000
109 E A 0.0000
110 E A -3.2781
111 R A -3.0479
112 Y A 0.0000
113 P A -0.9619
114 I A -0.6316
115 L A -0.4780
116 P A -1.1745
117 E A -2.5099
118 Y A 0.0000
119 L A -1.6504
120 Q A -2.8577
121 C A 0.0000
122 V A 0.0000
123 K A -3.5875
124 E A -3.3582
125 L A 0.0000
126 Y A 0.0000
127 R A -2.8192
128 G A -1.6975
129 G A 0.0000
130 L A 0.0000
131 E A -1.1515
132 P A -1.7270
133 I A 0.0000
134 N A -2.5427
135 F A 0.0000
136 Q A -2.8229
137 T A -1.5519
138 A A -1.7104
139 A A -2.6580
140 D A -3.3040
141 Q A -2.1267
142 A A 0.0000
143 R A -2.2762
144 E A -2.1744
145 L A -0.1452
146 I A 0.0000
147 N A 0.0000
148 S A -1.0647
149 W A -0.7227
150 V A 0.0000
151 E A -2.1906
152 S A -1.6062
153 Q A -1.3169
154 T A 0.0000
155 N A -1.9218
156 G A -1.5133
157 I A -1.0755
158 I A 0.0000
159 R A -2.9970
160 N A -2.9642
161 V A 0.0000
162 L A 0.0000
163 Q A -2.3045
164 P A -1.9170
165 S A -1.4882
166 S A -1.4565
167 V A 0.0000
168 D A -3.0647
169 S A -2.4919
170 Q A -2.1725
171 T A 0.0000
172 A A 0.0000
173 M A 0.0000
174 V A 0.0000
175 L A 0.0000
176 V A 0.0000
177 N A 0.0000
178 A A 0.0000
179 I A 0.0000
180 V A 0.0000
181 F A 0.0000
182 K A -1.4332
183 G A -0.9902
184 L A -0.9646
185 W A 0.0000
186 E A -1.6143
187 K A -1.3913
188 A A 0.0000
189 F A 0.0000
190 K A -2.5064
191 D A -3.7254
192 E A -3.7163
193 D A -3.2333
194 T A -2.7355
195 Q A -2.0765
196 A A -1.0806
197 M A -0.8612
198 P A -1.3287
199 F A 0.0000
200 R A -2.5261
201 V A -1.8417
202 T A -2.4698
203 E A -3.3509
204 Q A -3.1431
205 E A -3.4370
206 S A -2.5624
207 K A -1.7440
208 P A -1.2203
209 V A -1.2215
210 Q A -1.7774
211 M A 0.0000
212 M A 0.0000
213 Y A -1.1596
214 Q A 0.0000
215 I A -0.3834
216 G A 0.0000
217 L A -1.1719
218 F A 0.0000
219 R A -2.4938
220 V A -1.7006
221 A A 0.0000
222 S A -0.9560
223 M A -0.8570
224 A A -1.0057
225 S A -0.8402
226 E A -1.6670
227 K A -2.7845
228 M A 0.0000
229 K A -1.2809
230 I A 0.0000
231 L A 0.0000
232 E A 0.0000
233 L A 0.0000
234 P A -0.3509
235 F A 0.0000
236 A A 0.0000
237 S A -0.8515
238 G A -0.4705
239 T A -0.1730
240 M A 0.0000
241 S A 0.0000
242 M A 0.0000
243 L A 0.0000
244 V A 0.0000
245 L A 0.0000
246 L A 0.0000
247 P A 0.0000
248 D A -3.2692
249 E A -2.9605
250 V A -1.9069
251 S A -1.9604
252 G A -2.3342
253 L A 0.0000
254 E A -2.6977
255 Q A -2.4524
256 L A 0.0000
257 E A -1.6973
258 S A -1.3483
259 I A -0.6128
260 I A 0.0000
261 N A -1.2145
262 F A -1.2041
263 E A -2.5004
264 K A -1.9603
265 L A 0.0000
266 T A -1.8563
267 E A -2.6134
268 W A 0.0000
269 T A -1.0918
270 S A -1.3221
271 S A -1.6066
272 N A -1.7748
273 V A -1.1176
274 M A 0.0000
275 E A -3.6035
276 E A -3.9185
277 R A -3.8025
278 K A -2.3911
279 I A 0.0000
280 K A -1.1681
281 V A 0.0000
282 Y A -0.5417
283 L A 0.0000
284 P A 0.0000
285 R A -1.4716
286 M A 0.0000
287 K A -2.5752
288 M A 0.0000
289 E A -2.4592
290 E A -1.9066
291 K A -1.8850
292 Y A 0.0000
293 N A -1.4059
294 L A 0.0000
295 T A -0.3881
296 S A -0.3931
297 V A 0.0000
298 L A 0.0000
299 M A 0.2581
300 A A 0.1894
301 M A -0.4055
302 G A -0.3443
303 I A 0.0000
304 T A -0.1690
305 D A -0.6416
306 V A 0.0000
307 F A 0.0000
308 S A -0.5074
309 S A -0.8550
310 S A -0.8696
311 A A -1.4381
312 N A -1.9862
313 L A 0.0000
314 S A -1.1831
315 G A -0.6991
316 I A 0.0000
317 S A 0.0000
318 S A -0.7560
319 A A -1.3792
320 E A -2.1729
321 S A -1.3550
322 L A 0.0000
323 K A -0.9783
324 I A 0.0000
325 S A -0.6257
326 Q A -0.4659
327 A A 0.0000
328 V A 0.0000
329 H A 0.0000
330 A A 0.0000
331 A A 0.0000
332 H A -1.4912
333 A A 0.0000
334 E A -2.0396
335 I A 0.0000
336 N A -1.4623
337 E A 0.0000
338 A A -0.9610
339 G A -1.4563
340 R A -2.5902
341 E A -2.5164
342 V A -0.8672
343 V A -0.5464
344 G A -0.7680
345 S A -0.8120
346 A A -0.9557
347 E A -1.7448
348 A A -0.8411
349 G A -0.4163
350 V A 0.5918
351 D A -1.0104
352 A A -0.6981
353 A A -0.2241
354 S A -0.5621
355 V A 0.0000
356 S A -1.4005
357 E A -2.6569
358 E A -1.7423
359 F A 0.0000
360 R A -1.4185
361 A A 0.0000
362 D A -0.9009
363 H A 0.0000
364 P A 0.0000
365 F A 0.0000
366 L A 0.0000
367 F A 0.0000
368 C A 0.0000
369 I A 0.0000
370 K A 0.0000
371 H A 0.0000
372 I A 0.1793
373 A A -0.0390
374 T A -0.3808
375 N A -1.0006
376 A A 0.0000
377 V A 0.0000
378 L A 0.0000
379 F A 0.0000
380 F A 0.0000
381 G A 0.0000
382 R A 0.0000
383 C A 0.0000
384 V A 0.0000
385 S A -0.7786
386 P A -0.8638
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Laboratory of Theory of Biopolymers 2018