Project name: PLIMT9

Status: done

Started: 2024-06-12 08:15:08
Settings
Chain sequence(s) A: MGSNNGRKASEIFQGQALLYRHMFAFVDSMCLKSIVELGIPNIIHKHGQPITLSELMSILQVPPAKVGHVQSLMRYLAHHGFFERLRIHEKDAYALTAASELLVKGTEPYLAPMVECMLDPTLSASFHQMKKWVYEEDLSVFDISLGSNLWDFLTKNPAYNEIFNEAMASDSQMSNLALRDCKLVFEGLESIVDVGGGTGTTAKIICEAFPNLKCIVFDRPQVVENLLENNNLTYVGGDMFKSIPKANAVLLKWILHDWTDKDCRKILENCKEAISNNSKRGKIIIIDIVINEKQDEHKVTELKLLLDVAMACVLNGKERNEEEWKKLFMEVGLQDYKISPLTGYLSLIEIYP
B: MGSNNGRKASEIFQGQALLYRHMFAFVDSMCLKSIVELGIPNIIHKHGQPITLSELMSILQVPPAKVGHVQSLMRYLAHHGFFERLRIHEKDAYALTAASELLVKGTEPYLAPMVECMLDPTLSASFHQMKKWVYEEDLSVFDISLGSNLWDFLTKNPAYNEIFNEAMASDSQMSNLALRDCKLVFEGLESIVDVGGGTGTTAKIICEAFPNLKCIVFDRPQVVENLLENNNLTYVGGDMFKSIPKANAVLLKWILHDWTDKDCRKILENCKEAISNNSKRGKIIIIDIVINEKQDEHKVTELKLLLDVAMACVLNGKERNEEEWKKLFMEVGLQDYKISPLTGYLSLIEIYP
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
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                                          (00:10:10)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 0.488 (methionine) selected    
                       for automated muatation                                                     (00:10:16)
[INFO]       Auto_mut: Residue number 1 from chain B and a score of 0.346 (methionine) selected    
                       for automated muatation                                                     (00:10:16)
[INFO]       Auto_mut: Residue number 314 from chain B and a score of 0.339 (valine) selected for  
                       automated muatation                                                         (00:10:16)
[INFO]       Auto_mut: Residue number 228 from chain A and a score of 0.336 (leucine) selected for 
                       automated muatation                                                         (00:10:16)
[INFO]       Auto_mut: Residue number 228 from chain B and a score of 0.324 (leucine) selected for 
                       automated muatation                                                         (00:10:16)
[INFO]       Auto_mut: Residue number 314 from chain A and a score of 0.312 (valine) selected for  
                       automated muatation                                                         (00:10:16)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into glutamic acid      (00:10:16)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into aspartic acid      (00:10:16)
[INFO]       Auto_mut: Mutating residue number 1 from chain B (methionine) into glutamic acid      (00:10:16)
[INFO]       Auto_mut: Mutating residue number 1 from chain B (methionine) into lysine             (00:14:53)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into lysine             (00:14:59)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into arginine           (00:14:59)
[INFO]       Auto_mut: Mutating residue number 1 from chain B (methionine) into aspartic acid      (00:19:51)
[INFO]       Auto_mut: Mutating residue number 314 from chain B (valine) into glutamic acid        (00:19:58)
[INFO]       Auto_mut: Mutating residue number 314 from chain B (valine) into aspartic acid        (00:19:59)
[INFO]       Auto_mut: Mutating residue number 1 from chain B (methionine) into arginine           (00:24:27)
[INFO]       Auto_mut: Mutating residue number 314 from chain B (valine) into lysine               (00:24:38)
[INFO]       Auto_mut: Mutating residue number 314 from chain B (valine) into arginine             (00:24:40)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (leucine) into glutamic acid       (00:29:16)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (leucine) into aspartic acid       (00:29:29)
[INFO]       Auto_mut: Mutating residue number 228 from chain B (leucine) into glutamic acid       (00:29:34)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (leucine) into lysine              (00:34:05)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (leucine) into arginine            (00:34:18)
[INFO]       Auto_mut: Mutating residue number 228 from chain B (leucine) into lysine              (00:34:25)
[INFO]       Auto_mut: Mutating residue number 228 from chain B (leucine) into aspartic acid       (00:38:52)
[INFO]       Auto_mut: Mutating residue number 314 from chain A (valine) into glutamic acid        (00:38:54)
[INFO]       Auto_mut: Mutating residue number 314 from chain A (valine) into aspartic acid        (00:39:21)
[INFO]       Auto_mut: Mutating residue number 314 from chain A (valine) into lysine               (00:43:32)
[INFO]       Auto_mut: Mutating residue number 228 from chain B (leucine) into arginine            (00:43:33)
[INFO]       Auto_mut: Mutating residue number 314 from chain A (valine) into arginine             (00:44:01)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into glutamic 
                       acid: Energy difference: 0.0126 kcal/mol, Difference in average score from  
                       the base case: -0.0056                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into lysine:  
                       Energy difference: -0.0340 kcal/mol, Difference in average score from the   
                       base case: -0.0104                                                          (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into aspartic 
                       acid: Energy difference: 0.0079 kcal/mol, Difference in average score from  
                       the base case: -0.0060                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into          
                       arginine: Energy difference: -1.4403 kcal/mol, Difference in average score  
                       from the base case: -0.0067                                                 (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain B (methionine) into glutamic 
                       acid: Energy difference: 0.2327 kcal/mol, Difference in average score from  
                       the base case: -0.0065                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain B (methionine) into lysine:  
                       Energy difference: 0.1391 kcal/mol, Difference in average score from the    
                       base case: -0.0079                                                          (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain B (methionine) into aspartic 
                       acid: Energy difference: 0.2392 kcal/mol, Difference in average score from  
                       the base case: -0.0123                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain B (methionine) into          
                       arginine: Energy difference: -0.1488 kcal/mol, Difference in average score  
                       from the base case: -0.0063                                                 (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain B (valine) into glutamic   
                       acid: Energy difference: 1.8086 kcal/mol, Difference in average score from  
                       the base case: 0.0011                                                       (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain B (valine) into lysine:    
                       Energy difference: 1.5741 kcal/mol, Difference in average score from the    
                       base case: 0.0026                                                           (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain B (valine) into aspartic   
                       acid: Energy difference: 3.2180 kcal/mol, Difference in average score from  
                       the base case: 0.0015                                                       (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain B (valine) into arginine:  
                       Energy difference: 1.4475 kcal/mol, Difference in average score from the    
                       base case: 0.0016                                                           (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (leucine) into glutamic  
                       acid: Energy difference: -0.0138 kcal/mol, Difference in average score from 
                       the base case: -0.0134                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (leucine) into lysine:   
                       Energy difference: -0.0823 kcal/mol, Difference in average score from the   
                       base case: -0.0182                                                          (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (leucine) into aspartic  
                       acid: Energy difference: -0.1865 kcal/mol, Difference in average score from 
                       the base case: -0.0116                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (leucine) into arginine: 
                       Energy difference: -0.0188 kcal/mol, Difference in average score from the   
                       base case: -0.0109                                                          (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain B (leucine) into glutamic  
                       acid: Energy difference: -0.0293 kcal/mol, Difference in average score from 
                       the base case: -0.0120                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain B (leucine) into lysine:   
                       Energy difference: -0.0796 kcal/mol, Difference in average score from the   
                       base case: -0.0124                                                          (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain B (leucine) into aspartic  
                       acid: Energy difference: -0.2028 kcal/mol, Difference in average score from 
                       the base case: -0.0134                                                      (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain B (leucine) into arginine: 
                       Energy difference: -0.0121 kcal/mol, Difference in average score from the   
                       base case: -0.0138                                                          (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain A (valine) into glutamic   
                       acid: Energy difference: 2.0423 kcal/mol, Difference in average score from  
                       the base case: 0.0020                                                       (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain A (valine) into lysine:    
                       Energy difference: 1.6274 kcal/mol, Difference in average score from the    
                       base case: 0.0077                                                           (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain A (valine) into aspartic   
                       acid: Energy difference: 3.2853 kcal/mol, Difference in average score from  
                       the base case: 0.0018                                                       (00:48:52)
[INFO]       Auto_mut: Effect of mutation residue number 314 from chain A (valine) into arginine:  
                       Energy difference: 1.6766 kcal/mol, Difference in average score from the    
                       base case: 0.0042                                                           (00:48:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:49:04)
Show buried residues
Minimal score value
-3.9148
Maximal score value
0.4884
Average score
-0.8984
Total score value
-634.2373
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
1 M A 0.4884
2 G A -0.9942
3 S A -1.8715
4 N A -2.3642
5 N A -2.6406
6 G A -2.2836
7 R A -2.6733
8 K A -2.7181
9 A A -1.7276
10 S A -1.4898
11 E A -2.1578
12 I A 0.0000
13 F A -0.8418
14 Q A -1.2426
15 G A 0.0000
16 Q A 0.0000
17 A A 0.0000
18 L A -0.2361
19 L A 0.0000
20 Y A 0.0000
21 R A -0.2542
22 H A 0.0000
23 M A 0.0000
24 F A 0.0000
25 A A 0.0000
26 F A 0.0000
27 V A 0.0000
28 D A 0.0000
29 S A 0.0000
30 M A 0.0000
31 C A 0.0000
32 L A 0.0000
33 K A 0.0000
34 S A 0.0000
35 I A 0.0000
36 V A -0.8630
37 E A -1.5555
38 L A 0.0000
39 G A -0.6799
40 I A 0.0000
41 P A 0.0000
42 N A -1.5640
43 I A -0.8855
44 I A 0.0000
45 H A -2.3886
46 K A -2.5907
47 H A -2.0203
48 G A -1.9014
49 Q A -1.7546
50 P A -1.3706
51 I A 0.0000
52 T A -1.1043
53 L A 0.0000
54 S A -0.5958
55 E A -0.8404
56 L A 0.0000
57 M A 0.0000
58 S A -0.4417
59 I A 0.2517
60 L A 0.0000
61 Q A -0.8214
62 V A -0.4285
63 P A -1.0271
64 P A -0.5233
65 A A -0.9195
66 K A 0.0000
67 V A -0.2540
68 G A -0.4946
69 H A -0.4808
70 V A 0.0000
71 Q A -0.6908
72 S A 0.0000
73 L A 0.0000
74 M A 0.0000
75 R A -1.0632
76 Y A 0.0000
77 L A 0.0000
78 A A -1.1348
79 H A -0.9877
80 H A -0.6316
81 G A -0.8944
82 F A 0.0000
83 F A 0.0000
84 E A -2.3230
85 R A -2.2820
86 L A -1.8996
87 R A -2.8519
88 I A -1.9134
89 H A -2.4117
90 E A -3.1725
91 K A -2.6758
92 D A -2.1316
93 A A 0.0000
94 Y A 0.0000
95 A A -1.2094
96 L A -0.8852
97 T A -0.6038
98 A A -1.1022
99 A A 0.0000
100 S A 0.0000
101 E A -1.0010
102 L A 0.0000
103 L A 0.0000
104 V A 0.0000
105 K A -2.3853
106 G A -1.7318
107 T A -1.8636
108 E A -2.3506
109 P A 0.0000
110 Y A -1.0765
111 L A 0.0000
112 A A 0.0000
113 P A -1.2226
114 M A 0.0000
115 V A 0.0000
116 E A -2.0458
117 C A 0.0000
118 M A -0.3740
119 L A 0.0000
120 D A -0.7054
121 P A -0.4918
122 T A -0.1056
123 L A 0.0000
124 S A 0.0000
125 A A -0.1964
126 S A 0.0000
127 F A 0.0000
128 H A -0.7369
129 Q A -1.1819
130 M A 0.0000
131 K A -1.7845
132 K A -1.8552
133 W A 0.0000
134 V A 0.0000
135 Y A -0.8882
136 E A -1.7962
137 E A -2.5730
138 D A -2.4954
139 L A -1.1270
140 S A 0.0000
141 V A 0.0000
142 F A 0.0000
143 D A -0.5889
144 I A -0.3931
145 S A -0.4305
146 L A -0.3131
147 G A -0.6835
148 S A -0.8267
149 N A -0.7029
150 L A 0.0000
151 W A -0.0137
152 D A -1.5224
153 F A -1.0836
154 L A 0.0000
155 T A -1.4167
156 K A -2.1337
157 N A -1.6279
158 P A -1.3267
159 A A -0.8983
160 Y A -1.1237
161 N A -1.9983
162 E A -2.6559
163 I A -1.6432
164 F A -1.5187
165 N A -2.4780
166 E A -2.8153
167 A A 0.0000
168 M A -0.7771
169 A A -0.7795
170 S A 0.0000
171 D A 0.0000
172 S A -0.2655
173 Q A -0.4879
174 M A 0.0000
175 S A 0.0000
176 N A -0.6163
177 L A -0.5948
178 A A 0.0000
179 L A 0.0000
180 R A -2.2197
181 D A -2.3710
182 C A -1.6145
183 K A -2.0957
184 L A -0.1512
185 V A 0.0000
186 F A 0.0000
187 E A -2.0711
188 G A -2.1557
189 L A 0.0000
190 E A -2.9296
191 S A 0.0000
192 I A 0.0000
193 V A 0.0000
194 D A 0.0000
195 V A 0.0000
196 G A -0.5375
197 G A -0.3525
198 G A -0.4361
199 T A -0.2619
200 G A 0.0000
201 T A -0.4248
202 T A 0.0000
203 A A 0.0000
204 K A -1.5659
205 I A -1.0438
206 I A 0.0000
207 C A 0.0000
208 E A -2.3408
209 A A -1.8710
210 F A -1.9652
211 P A -1.9491
212 N A -2.3038
213 L A 0.0000
214 K A -2.1328
215 C A 0.0000
216 I A 0.0000
217 V A 0.0000
218 F A 0.0000
219 D A -1.3435
220 R A -2.2482
221 P A -2.1124
222 Q A -2.3563
223 V A -1.3314
224 V A 0.0000
225 E A -2.5652
226 N A -1.8453
227 L A -0.2640
228 L A 0.3361
229 E A -1.4192
230 N A -2.1015
231 N A -2.3941
232 N A -2.4563
233 L A 0.0000
234 T A -0.6687
235 Y A -0.2016
236 V A 0.0080
237 G A -1.2501
238 G A -1.2024
239 D A -1.2373
240 M A -0.9105
241 F A -1.1320
242 K A -1.8067
243 S A -1.7039
244 I A 0.0000
245 P A -1.0559
246 K A -2.4309
247 A A 0.0000
248 N A -2.1084
249 A A 0.0000
250 V A 0.0000
251 L A 0.0000
252 L A 0.0000
253 K A -0.1042
254 W A -0.0149
255 I A -0.0324
256 L A 0.0000
257 H A 0.0000
258 D A -1.0735
259 W A -0.8845
260 T A -1.4725
261 D A -2.5943
262 K A -2.8496
263 D A -2.0974
264 C A 0.0000
265 R A -2.8014
266 K A -2.5940
267 I A 0.0000
268 L A 0.0000
269 E A -3.1357
270 N A 0.0000
271 C A 0.0000
272 K A -2.4408
273 E A -3.1203
274 A A 0.0000
275 I A 0.0000
276 S A -2.5024
277 N A -2.7136
278 N A -2.4385
279 S A -1.9506
280 K A -3.2901
281 R A -3.0455
282 G A 0.0000
283 K A 0.0000
284 I A 0.0000
285 I A 0.0000
286 I A 0.0000
287 I A 0.0000
288 D A 0.0000
289 I A 0.0000
290 V A 0.0000
291 I A 0.0000
292 N A -2.8842
293 E A -3.9148
294 K A -3.7808
295 Q A -3.3521
296 D A -3.3402
297 E A -3.5638
298 H A -3.0326
299 K A -2.0059
300 V A -1.7397
301 T A 0.0000
302 E A -1.2998
303 L A 0.0000
304 K A 0.0000
305 L A 0.0000
306 L A 0.0000
307 L A 0.0000
308 D A 0.0000
309 V A 0.0000
310 A A 0.0000
311 M A -0.0129
312 A A 0.0000
313 C A 0.0000
314 V A 0.3116
315 L A -0.0674
316 N A -0.5324
317 G A 0.0000
318 K A -0.6303
319 E A 0.0000
320 R A 0.0000
321 N A -1.5985
322 E A -2.2387
323 E A -3.0807
324 E A -2.4120
325 W A 0.0000
326 K A -3.1190
327 K A -3.1632
328 L A 0.0000
329 F A 0.0000
330 M A -2.0188
331 E A -2.8287
332 V A -1.9140
333 G A -1.6836
334 L A 0.0000
335 Q A -2.6280
336 D A -2.5741
337 Y A -1.4808
338 K A -1.1726
339 I A -0.1052
340 S A -0.1966
341 P A -0.2209
342 L A 0.0000
343 T A 0.0000
344 G A 0.0000
345 Y A 0.0000
346 L A 0.0000
347 S A 0.0000
348 L A 0.0000
349 I A 0.0000
350 E A 0.0000
351 I A 0.0000
352 Y A -1.1775
353 P A -1.2480
1 M B 0.3457
2 G B -1.0036
3 S B -1.8250
4 N B -2.3323
5 N B -2.6170
6 G B -2.2542
7 R B -2.5816
8 K B -2.6502
9 A B -1.6817
10 S B -1.4475
11 E B -2.0338
12 I B 0.0000
13 F B -0.8558
14 Q B -1.2888
15 G B 0.0000
16 Q B 0.0000
17 A B 0.0000
18 L B 0.0000
19 L B 0.0000
20 Y B 0.0000
21 R B -0.3152
22 H B 0.0000
23 M B 0.0000
24 F B 0.0000
25 A B 0.0000
26 F B 0.0000
27 V B 0.0000
28 D B 0.0000
29 S B 0.0000
30 M B 0.0000
31 C B 0.0000
32 L B 0.0000
33 K B 0.0000
34 S B 0.0000
35 I B 0.0000
36 V B -0.8443
37 E B -1.4105
38 L B 0.0000
39 G B -0.6818
40 I B 0.0000
41 P B 0.0000
42 N B -1.4768
43 I B -0.7703
44 I B 0.0000
45 H B -2.0191
46 K B -2.4104
47 H B -1.8945
48 G B -1.7929
49 Q B -1.7335
50 P B -1.3890
51 I B 0.0000
52 T B -1.1806
53 L B -0.4385
54 S B -0.5291
55 E B -0.7714
56 L B 0.0000
57 M B 0.0000
58 S B -0.4184
59 I B 0.2623
60 L B 0.0000
61 Q B -0.8230
62 V B -0.4094
63 P B -1.0059
64 P B -0.4798
65 A B -0.8609
66 K B 0.0000
67 V B -0.0826
68 G B -0.1780
69 H B 0.0000
70 V B 0.0000
71 Q B -0.5161
72 S B 0.0000
73 L B 0.0000
74 M B 0.0000
75 R B -1.1932
76 Y B 0.0000
77 L B 0.0000
78 A B -1.3242
79 H B -1.0983
80 H B -0.5890
81 G B -0.9443
82 F B 0.0000
83 F B 0.0000
84 E B -2.6424
85 R B -3.0878
86 L B -2.3439
87 R B -3.1143
88 I B -2.0683
89 H B -2.4428
90 E B -3.2155
91 K B -2.7261
92 D B -2.5029
93 A B 0.0000
94 Y B 0.0000
95 A B -1.3359
96 L B -0.9210
97 T B -0.6136
98 A B -1.1088
99 A B 0.0000
100 S B 0.0000
101 E B -0.9367
102 L B 0.0000
103 L B 0.0000
104 V B 0.0000
105 K B -2.3626
106 G B -1.7397
107 T B -1.8753
108 E B -2.3777
109 P B -1.4014
110 Y B -1.1019
111 L B 0.0000
112 A B 0.0000
113 P B -1.0438
114 M B 0.0000
115 V B 0.0000
116 E B -1.6254
117 C B 0.0000
118 M B -0.2327
119 L B 0.0000
120 D B -0.5609
121 P B -0.4470
122 T B -0.1061
123 L B 0.0000
124 S B 0.0000
125 A B -0.1994
126 S B 0.0000
127 F B 0.0000
128 H B -0.7580
129 Q B -1.1905
130 M B 0.0000
131 K B -1.8477
132 K B -1.9169
133 W B 0.0000
134 V B 0.0000
135 Y B -0.8996
136 E B -1.8095
137 E B -2.5719
138 D B -2.4928
139 L B -1.1250
140 S B 0.0000
141 V B 0.0000
142 F B 0.0000
143 D B -0.5618
144 I B -0.3954
145 S B -0.4244
146 L B -0.3055
147 G B -0.6738
148 S B -0.7987
149 N B -0.6253
150 L B 0.0000
151 W B -0.0027
152 D B -1.5413
153 F B -1.0810
154 L B 0.0000
155 T B -1.2458
156 K B -2.1407
157 N B -1.6224
158 P B -1.2681
159 A B -0.8036
160 Y B -0.9923
161 N B -1.8760
162 E B -2.5019
163 I B -1.2316
164 F B -1.3022
165 N B -2.3660
166 E B -2.6573
167 A B 0.0000
168 M B -0.5443
169 A B -0.7429
170 S B 0.0000
171 D B 0.0000
172 S B -0.2327
173 Q B -0.4583
174 M B 0.0000
175 S B 0.0000
176 N B 0.0000
177 L B -0.6739
178 A B 0.0000
179 L B 0.0000
180 R B -2.5613
181 D B -2.6627
182 C B -1.7500
183 K B -2.2446
184 L B -0.1893
185 V B 0.0000
186 F B 0.0000
187 E B -2.1061
188 G B -2.1929
189 L B 0.0000
190 E B -2.9498
191 S B 0.0000
192 I B 0.0000
193 V B 0.0000
194 D B 0.0000
195 V B 0.0000
196 G B -0.4787
197 G B -0.2968
198 G B -0.3089
199 T B -0.1632
200 G B 0.0000
201 T B -0.3619
202 T B 0.0000
203 A B 0.0000
204 K B -1.4494
205 I B -1.0301
206 I B 0.0000
207 C B 0.0000
208 E B -2.3553
209 A B -1.9462
210 F B -2.0080
211 P B -1.9375
212 N B -2.3143
213 L B 0.0000
214 K B -2.1860
215 C B 0.0000
216 I B 0.0000
217 V B 0.0000
218 F B 0.0000
219 D B -1.1850
220 R B -1.9780
221 P B -1.8440
222 Q B -2.0690
223 V B -0.8375
224 V B 0.0000
225 E B -2.4132
226 N B -1.7705
227 L B -0.2210
228 L B 0.3235
229 E B -1.4258
230 N B -2.0646
231 N B -2.3868
232 N B -2.4518
233 L B 0.0000
234 T B -0.6831
235 Y B -0.1633
236 V B 0.0690
237 G B -1.1127
238 G B -1.1198
239 D B -1.2496
240 M B -0.9656
241 F B -1.1976
242 K B -1.8666
243 S B -1.8468
244 I B 0.0000
245 P B -1.0715
246 K B -2.4428
247 A B 0.0000
248 N B -2.1143
249 A B 0.0000
250 V B 0.0000
251 L B 0.0000
252 L B 0.0000
253 K B -0.1052
254 W B -0.0010
255 I B -0.0130
256 L B 0.0000
257 H B 0.0000
258 D B -0.9926
259 W B -0.7855
260 T B -1.3496
261 D B -2.3527
262 K B -2.7326
263 D B -1.9906
264 C B 0.0000
265 R B -2.7584
266 K B -2.6727
267 I B 0.0000
268 L B 0.0000
269 E B -3.2309
270 N B -2.6369
271 C B 0.0000
272 K B -2.4945
273 E B -3.1695
274 A B 0.0000
275 I B 0.0000
276 S B -2.5185
277 N B -2.7151
278 N B -2.4391
279 S B -1.9508
280 K B -3.2928
281 R B -3.0507
282 G B 0.0000
283 K B 0.0000
284 I B 0.0000
285 I B 0.0000
286 I B 0.0000
287 I B 0.0000
288 D B 0.0000
289 I B 0.0000
290 V B 0.0000
291 I B 0.0000
292 N B -2.8025
293 E B -3.8797
294 K B -3.7434
295 Q B -3.3160
296 D B -3.3147
297 E B -3.5684
298 H B -3.0506
299 K B -2.0410
300 V B -1.7219
301 T B 0.0000
302 E B -1.2952
303 L B 0.0000
304 K B 0.0000
305 L B 0.0000
306 L B 0.0000
307 L B 0.0000
308 D B 0.0000
309 V B 0.0000
310 A B 0.0000
311 M B -0.0326
312 A B 0.0000
313 C B 0.0000
314 V B 0.3392
315 L B -0.0107
316 N B -0.5674
317 G B 0.0000
318 K B -0.7958
319 E B 0.0000
320 R B 0.0000
321 N B -1.7082
322 E B -2.2331
323 E B -3.0599
324 E B -2.3709
325 W B 0.0000
326 K B -3.0787
327 K B -3.0359
328 L B 0.0000
329 F B 0.0000
330 M B -2.0178
331 E B -2.8885
332 V B -1.9626
333 G B -1.6977
334 L B 0.0000
335 Q B -2.6216
336 D B -2.5679
337 Y B -1.4886
338 K B -1.2085
339 I B -0.1488
340 S B -0.2202
341 P B -0.2270
342 L B 0.0000
343 T B 0.0000
344 G B 0.0000
345 Y B 0.0000
346 L B 0.0000
347 S B 0.0000
348 L B 0.0000
349 I B 0.0000
350 E B 0.0000
351 I B 0.0000
352 Y B -1.1744
353 P B -1.2442
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Automated mutations analysis

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file.

Mutant
Energetic effect
Score comparison
MR1A -1.4403 -0.0067 View CSV PDB
LK228A -0.0823 -0.0182 View CSV PDB
LD228B -0.2028 -0.0134 View CSV PDB
LD228A -0.1865 -0.0116 View CSV PDB
LK228B -0.0796 -0.0124 View CSV PDB
MK1A -0.034 -0.0104 View CSV PDB
MR1B -0.1488 -0.0063 View CSV PDB
MK1B 0.1391 -0.0079 View CSV PDB
VE314B 1.8086 0.0011 View CSV PDB
VR314B 1.4475 0.0016 View CSV PDB
VE314A 2.0423 0.002 View CSV PDB
VD314A 3.2853 0.0018 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018