Project name: OMT005

Status: done

Started: 2024-06-12 08:13:55
Settings
Chain sequence(s) A: CMASPLNNGRKASEIFQGQALLYKHLLGFIDSKCLKWMVELDIPDIIHSHSHGQPITFSELVSILQVPPTKTRQVQSLMRYLAHNGFFEIVRIHDNIEAYALTAASELLVKSSELSLAPMVEYFLEPNCQGAWNQLKRWVHEEDLTVFGVSLGTPFWDFINKDPAYNKSFNEAMACDSQMLNLAFRDCNWVFEGLESIVDVGGGTGITAKIICEAFPKLKCMVLERPNVVENLSGSNNLTFVGGDMFKCIPKADAVLLKLVLHNWNDNDCMKILENCKEAISGESKTGKVVVIDTVINENKDERQVTELKLLMDVHMACIINGKERKEEDWKKLFMEAGFQSYKISPFTGYLSLIEIYP
B: MASPLNNGRKASEIFQGQALLYKHLLGFIDSKCLKWMVELDIPDIIHSHSHGQPITFSELVSILQVPPTKTRQVQSLMRYLAHNGFFEIVRIHDNIEAYALTAASELLVKSSELSLAPMVEYFLEPNCQGAWNQLKRWVHEEDLTVFGVSLGTPFWDFINKDPAYNKSFNEAMACDSQMLNLAFRDCNWVFEGLESIVDVGGGTGITAKIICEAFPKLKCMVLERPNVVENLSGSNNLTFVGGDMFKCIPKADAVLLKLVLHNWNDNDCMKILENCKEAISGESKTGKVVVIDTVINENKDERQVTELKLLMDVHMACIINGKERKEEDWKKLFMEAGFQSYKISPFTGYLSLIEIYP
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:09:43)
[INFO]       Auto_mut: Residue number 63 from chain A and a score of 1.000 (isoleucine) selected   
                       for automated muatation                                                     (00:09:49)
[INFO]       Auto_mut: Residue number 63 from chain B and a score of 0.958 (isoleucine) selected   
                       for automated muatation                                                     (00:09:49)
[INFO]       Auto_mut: Residue number 206 from chain B and a score of 0.778 (isoleucine) selected  
                       for automated muatation                                                     (00:09:49)
[INFO]       Auto_mut: Residue number 601 from chain A and a score of 0.754 (cysteine) selected    
                       for automated muatation                                                     (00:09:49)
[INFO]       Auto_mut: Residue number 206 from chain A and a score of 0.550 (isoleucine) selected  
                       for automated muatation                                                     (00:09:49)
[INFO]       Auto_mut: Residue number 1 from chain A and a score of 0.422 (methionine) selected    
                       for automated muatation                                                     (00:09:49)
[INFO]       Auto_mut: Mutating residue number 63 from chain A (isoleucine) into glutamic acid     (00:09:49)
[INFO]       Auto_mut: Mutating residue number 63 from chain A (isoleucine) into aspartic acid     (00:09:49)
[INFO]       Auto_mut: Mutating residue number 63 from chain B (isoleucine) into glutamic acid     (00:09:49)
[INFO]       Auto_mut: Mutating residue number 63 from chain A (isoleucine) into arginine          (00:13:28)
[INFO]       Auto_mut: Mutating residue number 63 from chain B (isoleucine) into lysine            (00:13:30)
[INFO]       Auto_mut: Mutating residue number 63 from chain A (isoleucine) into lysine            (00:13:31)
[INFO]       Auto_mut: Mutating residue number 63 from chain B (isoleucine) into aspartic acid     (00:17:17)
[INFO]       Auto_mut: Mutating residue number 206 from chain B (isoleucine) into glutamic acid    (00:17:32)
[INFO]       Auto_mut: Mutating residue number 206 from chain B (isoleucine) into aspartic acid    (00:17:34)
[INFO]       Auto_mut: Mutating residue number 63 from chain B (isoleucine) into arginine          (00:20:57)
[INFO]       Auto_mut: Mutating residue number 206 from chain B (isoleucine) into arginine         (00:21:12)
[INFO]       Auto_mut: Mutating residue number 206 from chain B (isoleucine) into lysine           (00:21:23)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (cysteine) into glutamic acid      (00:24:39)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (cysteine) into aspartic acid      (00:25:04)
[INFO]       Auto_mut: Mutating residue number 206 from chain A (isoleucine) into glutamic acid    (00:25:24)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (cysteine) into lysine             (00:28:22)
[INFO]       Auto_mut: Mutating residue number 601 from chain A (cysteine) into arginine           (00:28:45)
[INFO]       Auto_mut: Mutating residue number 206 from chain A (isoleucine) into lysine           (00:29:14)
[INFO]       Auto_mut: Mutating residue number 206 from chain A (isoleucine) into aspartic acid    (00:32:30)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into glutamic acid      (00:32:32)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into aspartic acid      (00:33:32)
[INFO]       Auto_mut: Mutating residue number 206 from chain A (isoleucine) into arginine         (00:36:16)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into lysine             (00:36:17)
[INFO]       Auto_mut: Mutating residue number 1 from chain A (methionine) into arginine           (00:37:09)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 1.5754 kcal/mol, Difference in average    
                       score from the base case: -0.0140                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into lysine: 
                       Energy difference: 0.7273 kcal/mol, Difference in average score from the    
                       base case: -0.0084                                                          (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 2.7441 kcal/mol, Difference in average    
                       score from the base case: -0.0112                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain A (isoleucine) into         
                       arginine: Energy difference: 0.8428 kcal/mol, Difference in average score   
                       from the base case: -0.0098                                                 (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain B (isoleucine) into         
                       glutamic acid: Energy difference: 1.5528 kcal/mol, Difference in average    
                       score from the base case: -0.0119                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain B (isoleucine) into lysine: 
                       Energy difference: 0.6813 kcal/mol, Difference in average score from the    
                       base case: -0.0085                                                          (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain B (isoleucine) into         
                       aspartic acid: Energy difference: 2.7099 kcal/mol, Difference in average    
                       score from the base case: -0.0085                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 63 from chain B (isoleucine) into         
                       arginine: Energy difference: 0.7889 kcal/mol, Difference in average score   
                       from the base case: -0.0097                                                 (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain B (isoleucine) into        
                       glutamic acid: Energy difference: 0.0680 kcal/mol, Difference in average    
                       score from the base case: -0.0070                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain B (isoleucine) into        
                       lysine: Energy difference: 0.1656 kcal/mol, Difference in average score     
                       from the base case: -0.0036                                                 (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain B (isoleucine) into        
                       aspartic acid: Energy difference: -0.4161 kcal/mol, Difference in average   
                       score from the base case: -0.0062                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain B (isoleucine) into        
                       arginine: Energy difference: 0.1389 kcal/mol, Difference in average score   
                       from the base case: -0.0063                                                 (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (cysteine) into glutamic 
                       acid: Energy difference: 0.3967 kcal/mol, Difference in average score from  
                       the base case: -0.0087                                                      (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (cysteine) into lysine:  
                       Energy difference: 0.5995 kcal/mol, Difference in average score from the    
                       base case: -0.0033                                                          (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (cysteine) into aspartic 
                       acid: Energy difference: 0.4322 kcal/mol, Difference in average score from  
                       the base case: -0.0072                                                      (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 601 from chain A (cysteine) into          
                       arginine: Energy difference: 0.2661 kcal/mol, Difference in average score   
                       from the base case: -0.0020                                                 (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.0927 kcal/mol, Difference in average    
                       score from the base case: -0.0018                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain A (isoleucine) into        
                       lysine: Energy difference: 0.1675 kcal/mol, Difference in average score     
                       from the base case: -0.0007                                                 (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: -0.4124 kcal/mol, Difference in average   
                       score from the base case: -0.0019                                           (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 206 from chain A (isoleucine) into        
                       arginine: Energy difference: 0.1233 kcal/mol, Difference in average score   
                       from the base case: -0.0041                                                 (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into glutamic 
                       acid: Energy difference: -0.1675 kcal/mol, Difference in average score from 
                       the base case: -0.0050                                                      (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into lysine:  
                       Energy difference: -0.2000 kcal/mol, Difference in average score from the   
                       base case: -0.0030                                                          (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into aspartic 
                       acid: Energy difference: -0.1286 kcal/mol, Difference in average score from 
                       the base case: -0.0073                                                      (00:40:48)
[INFO]       Auto_mut: Effect of mutation residue number 1 from chain A (methionine) into          
                       arginine: Energy difference: -0.6223 kcal/mol, Difference in average score  
                       from the base case: -0.0053                                                 (00:40:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:41:00)
Show buried residues
Minimal score value
-3.9007
Maximal score value
1.0002
Average score
-0.8485
Total score value
-608.4022
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
601 C A 0.7542
1 M A 0.4218
2 A A -0.6348
3 S A -0.7313
4 P A -0.3615
5 L A -0.3673
6 N A 0.0000
7 N A -1.7841
8 G A -1.4857
9 R A -2.0133
10 K A -2.6376
11 A A 0.0000
12 S A -1.9266
13 E A -2.3864
14 I A 0.0000
15 F A 0.0000
16 Q A -1.5591
17 G A 0.0000
18 Q A 0.0000
19 A A 0.0000
20 L A -0.1906
21 L A 0.0000
22 Y A 0.0000
23 K A -0.3464
24 H A -0.2118
25 L A 0.0000
26 L A 0.0000
27 G A 0.0000
28 F A 0.0000
29 I A 0.0000
30 D A -0.3194
31 S A 0.0000
32 K A 0.0000
33 C A 0.0000
34 L A 0.0000
35 K A -1.1669
36 W A 0.0000
37 M A 0.0000
38 V A 0.0000
39 E A -2.0132
40 L A 0.0000
41 D A -1.4429
42 I A 0.0000
43 P A 0.0000
44 D A -1.0467
45 I A -0.1433
46 I A 0.0000
47 H A -1.4373
48 S A -1.1107
49 H A -1.2734
50 S A -1.3509
51 H A -1.8107
52 G A -1.7150
53 Q A -1.8482
54 P A -1.2039
55 I A 0.0000
56 T A 0.0000
57 F A -0.1597
58 S A -0.3086
59 E A -0.6480
60 L A 0.0000
61 V A -0.1200
62 S A -0.1135
63 I A 1.0002
64 L A 0.0000
65 Q A -0.9455
66 V A 0.0000
67 P A -1.5491
68 P A -1.1038
69 T A -1.3869
70 K A 0.0000
71 T A -0.6625
72 R A -0.9487
73 Q A 0.0000
74 V A 0.0000
75 Q A -0.7441
76 S A 0.0000
77 L A 0.0000
78 M A 0.0000
79 R A -0.4818
80 Y A 0.0000
81 L A 0.0000
82 A A -0.4109
83 H A -0.9214
84 N A 0.0000
85 G A -0.3710
86 F A 0.0000
87 F A 0.0000
88 E A -1.3697
89 I A -0.0974
90 V A -0.7361
91 R A -2.4819
92 I A -1.6211
93 H A -2.3371
94 D A -2.8844
95 N A -2.6823
96 I A -1.1274
97 E A -1.4269
98 A A 0.0000
99 Y A 0.0000
100 A A -0.6337
101 L A -0.5674
102 T A -0.6210
103 A A -0.9526
104 A A 0.0000
105 S A 0.0000
106 E A -0.7426
107 L A 0.0000
108 L A 0.0000
109 V A 0.0000
110 K A -1.7932
111 S A -1.3123
112 S A -1.3931
113 E A -1.7419
114 L A 0.0000
115 S A 0.0000
116 L A 0.0000
117 A A 0.0000
118 P A -1.5754
119 M A 0.0000
120 V A 0.0000
121 E A -2.2402
122 Y A 0.0000
123 F A -0.4944
124 L A 0.0000
125 E A -1.2422
126 P A -1.1587
127 N A -1.1882
128 C A 0.0000
129 Q A 0.0000
130 G A -0.8568
131 A A 0.0000
132 W A 0.0000
133 N A -1.0798
134 Q A -1.6089
135 L A 0.0000
136 K A -2.5190
137 R A -2.9073
138 W A 0.0000
139 V A 0.0000
140 H A -2.5867
141 E A -2.7462
142 E A -3.0851
143 D A -2.7387
144 L A -1.3289
145 T A -0.5027
146 V A 0.0000
147 F A 0.0000
148 G A 0.0000
149 V A 0.0000
150 S A -0.5889
151 L A -0.1550
152 G A -0.4997
153 T A -0.4745
154 P A -0.3694
155 F A 0.0000
156 W A -0.3902
157 D A -2.3380
158 F A 0.0000
159 I A 0.0000
160 N A -2.8711
161 K A -2.9621
162 D A -2.3198
163 P A -1.6866
164 A A -1.1887
165 Y A 0.0000
166 N A -2.3287
167 K A -2.8994
168 S A -2.2297
169 F A -1.6663
170 N A -2.4959
171 E A -2.9627
172 A A 0.0000
173 M A -0.7452
174 A A -0.6891
175 C A -1.0045
176 D A -0.5031
177 S A 0.0000
178 Q A -0.6124
179 M A 0.0000
180 L A 0.0000
181 N A 0.0000
182 L A 0.0000
183 A A 0.0000
184 F A 0.0000
185 R A -2.6755
186 D A -2.7978
187 C A 0.0000
188 N A -1.7889
189 W A -0.8412
190 V A 0.0000
191 F A 0.0000
192 E A -2.1357
193 G A -1.6452
194 L A -2.2146
195 E A -3.0058
196 S A -2.1786
197 I A 0.0000
198 V A 0.0000
199 D A 0.0000
200 V A 0.0000
201 G A -0.2311
202 G A 0.0000
203 G A 0.2065
204 T A 0.1719
205 G A 0.0000
206 I A 0.5500
207 T A 0.0000
208 A A 0.0000
209 K A -1.4867
210 I A -1.1233
211 I A 0.0000
212 C A 0.0000
213 E A -2.3432
214 A A -1.5996
215 F A 0.0000
216 P A -2.1930
217 K A -3.0096
218 L A 0.0000
219 K A -2.8690
220 C A 0.0000
221 M A -0.4133
222 V A 0.0000
223 L A 0.0000
224 E A -1.4230
225 R A -2.4162
226 P A -2.2374
227 N A -2.3886
228 V A -1.2818
229 V A 0.0000
230 E A -2.8339
231 N A -2.0991
232 L A -0.8604
233 S A -0.7689
234 G A -0.9841
235 S A -1.4431
236 N A -2.0205
237 N A -2.3414
238 L A 0.0000
239 T A -0.6344
240 F A -0.3345
241 V A -0.3072
242 G A -1.4953
243 G A -1.2128
244 D A -1.1036
245 M A -0.7436
246 F A -0.9967
247 K A -1.4859
248 C A -0.7636
249 I A 0.0000
250 P A -0.8675
251 K A -2.2006
252 A A -1.8158
253 D A -1.7730
254 A A 0.0000
255 V A 0.0000
256 L A 0.0000
257 L A 0.0000
258 K A 0.0000
259 L A 0.2144
260 V A 0.0000
261 L A 0.0000
262 H A -0.5706
263 N A -0.7799
264 W A -1.1052
265 N A -2.2667
266 D A -2.9605
267 N A -2.8481
268 D A -2.3332
269 C A 0.0000
270 M A -2.2922
271 K A -2.6658
272 I A 0.0000
273 L A 0.0000
274 E A -2.8601
275 N A -2.2401
276 C A 0.0000
277 K A -2.3397
278 E A -2.8366
279 A A 0.0000
280 I A 0.0000
281 S A -2.2181
282 G A -2.5544
283 E A -2.5439
284 S A -1.9789
285 K A -2.1847
286 T A -1.1884
287 G A 0.0000
288 K A 0.0000
289 V A 0.0000
290 V A 0.0000
291 V A 0.0000
292 I A 0.0000
293 D A 0.0000
294 T A 0.0000
295 V A 0.0000
296 I A 0.0000
297 N A -2.2346
298 E A -2.8497
299 N A -3.1036
300 K A -3.3206
301 D A -3.1790
302 E A -3.8971
303 R A -3.9007
304 Q A -2.6872
305 V A -2.0633
306 T A 0.0000
307 E A -1.6818
308 L A 0.0000
309 K A 0.0000
310 L A 0.0000
311 L A 0.0000
312 M A 0.0071
313 D A 0.0000
314 V A 0.0000
315 H A -0.0076
316 M A -0.0283
317 A A 0.0000
318 C A 0.0000
319 I A 0.0000
320 I A 0.3287
321 N A -0.5869
322 G A 0.0000
323 K A -0.7867
324 E A 0.0000
325 R A 0.0000
326 K A -1.8217
327 E A -2.3427
328 E A -3.3619
329 D A -2.8972
330 W A 0.0000
331 K A -3.2762
332 K A -3.5467
333 L A 0.0000
334 F A 0.0000
335 M A -1.7186
336 E A -2.7501
337 A A 0.0000
338 G A -1.4925
339 F A 0.0000
340 Q A -1.3810
341 S A -0.9316
342 Y A -0.7651
343 K A -1.2543
344 I A -0.4233
345 S A 0.0000
346 P A -0.1904
347 F A 0.0000
348 T A -0.6397
349 G A -0.5872
350 Y A -0.0725
351 L A 0.0000
352 S A -0.0067
353 L A 0.0000
354 I A 0.0000
355 E A 0.0000
356 I A 0.0000
357 Y A -0.1742
358 P A -0.5909
1 M B 0.4214
2 A B -0.5202
3 S B -0.4695
4 P B -0.0313
5 L B 0.3407
6 N B 0.0000
7 N B -1.5955
8 G B -1.3594
9 R B -1.9211
10 K B -2.6319
11 A B 0.0000
12 S B -1.9349
13 E B -2.4016
14 I B 0.0000
15 F B 0.0000
16 Q B -1.5758
17 G B 0.0000
18 Q B 0.0000
19 A B 0.0000
20 L B -0.2564
21 L B 0.0000
22 Y B 0.0000
23 K B -0.3891
24 H B -0.2297
25 L B 0.0000
26 L B 0.0000
27 G B 0.0000
28 F B 0.0000
29 I B 0.0000
30 D B -0.3095
31 S B 0.0000
32 K B 0.0000
33 C B 0.0000
34 L B 0.0000
35 K B -1.1775
36 W B 0.0000
37 M B 0.0000
38 V B 0.0000
39 E B -1.9552
40 L B 0.0000
41 D B -1.4175
42 I B 0.0000
43 P B 0.0000
44 D B -1.0618
45 I B -0.1732
46 I B 0.0000
47 H B -1.5009
48 S B -1.1445
49 H B -1.2891
50 S B -1.3645
51 H B -1.8275
52 G B -1.7353
53 Q B -1.8651
54 P B -1.1673
55 I B 0.0000
56 T B -0.3928
57 F B -0.0867
58 S B -0.2783
59 E B -0.6047
60 L B 0.0000
61 V B -0.0985
62 S B -0.1248
63 I B 0.9577
64 L B 0.0000
65 Q B -0.9605
66 V B 0.0000
67 P B -1.5179
68 P B -1.0953
69 T B -1.3479
70 K B 0.0000
71 T B -0.5710
72 R B -0.7878
73 Q B 0.0000
74 V B 0.0000
75 Q B -0.4882
76 S B 0.0000
77 L B 0.0000
78 M B 0.0000
79 R B -0.4119
80 Y B 0.0000
81 L B 0.0000
82 A B -0.3847
83 H B -0.8845
84 N B 0.0000
85 G B -0.3559
86 F B 0.0000
87 F B 0.0000
88 E B -1.3057
89 I B 0.1030
90 V B -0.5755
91 R B -2.3766
92 I B -1.5974
93 H B -2.3446
94 D B -2.8956
95 N B -2.6718
96 I B -1.1050
97 E B -1.1354
98 A B 0.0000
99 Y B 0.0000
100 A B -0.6040
101 L B -0.5530
102 T B -0.6055
103 A B -0.9258
104 A B 0.0000
105 S B 0.0000
106 E B -0.6902
107 L B 0.0000
108 L B 0.0000
109 V B 0.0000
110 K B -1.8024
111 S B -1.3505
112 S B -1.5720
113 E B -2.0010
114 L B 0.0000
115 S B 0.0000
116 L B 0.0000
117 A B 0.0000
118 P B -1.5706
119 M B 0.0000
120 V B 0.0000
121 E B -2.2376
122 Y B 0.0000
123 F B -0.5195
124 L B 0.0000
125 E B -1.2786
126 P B -1.2304
127 N B -1.3272
128 C B 0.0000
129 Q B 0.0000
130 G B -0.8782
131 A B 0.0000
132 W B 0.0000
133 N B -0.9949
134 Q B -1.4935
135 L B 0.0000
136 K B -2.4354
137 R B -2.8783
138 W B 0.0000
139 V B 0.0000
140 H B -2.6411
141 E B -2.9022
142 E B -3.1566
143 D B -2.7583
144 L B -1.2934
145 T B -0.4758
146 V B 0.0000
147 F B 0.0000
148 G B 0.0000
149 V B 0.0000
150 S B -0.5627
151 L B -0.1486
152 G B -0.4754
153 T B -0.4548
154 P B -0.3333
155 F B 0.0000
156 W B -0.4050
157 D B -2.3449
158 F B 0.0000
159 I B 0.0000
160 N B -2.8856
161 K B -2.9766
162 D B -2.3436
163 P B -1.7035
164 A B -1.2056
165 Y B 0.0000
166 N B -2.3658
167 K B -2.9090
168 S B -2.2445
169 F B -1.6813
170 N B -2.5527
171 E B -2.9430
172 A B 0.0000
173 M B -0.7857
174 A B -0.6911
175 C B -0.9519
176 D B -0.5432
177 S B -0.1014
178 Q B -0.4587
179 M B 0.0000
180 L B 0.0000
181 N B 0.0000
182 L B 0.0000
183 A B 0.0000
184 F B 0.0000
185 R B -2.7621
186 D B -2.8347
187 C B 0.0000
188 N B -1.7649
189 W B -0.7939
190 V B 0.0000
191 F B 0.0000
192 E B -2.1095
193 G B -1.6398
194 L B -2.2431
195 E B -2.9558
196 S B -2.1096
197 I B 0.0000
198 V B 0.0000
199 D B 0.0000
200 V B 0.0000
201 G B -0.6587
202 G B -0.1584
203 G B -0.1006
204 T B 0.0939
205 G B 0.0000
206 I B 0.7779
207 T B 0.0000
208 A B 0.0000
209 K B -1.0230
210 I B -0.8517
211 I B 0.0000
212 C B 0.0000
213 E B -2.2327
214 A B -1.5683
215 F B 0.0000
216 P B -2.1291
217 K B -2.9665
218 L B 0.0000
219 K B -2.6926
220 C B 0.0000
221 M B -0.3763
222 V B 0.0000
223 L B 0.0000
224 E B -1.4666
225 R B -2.3828
226 P B -2.1579
227 N B -2.3516
228 V B -1.2859
229 V B 0.0000
230 E B -2.8061
231 N B -2.1034
232 L B -0.8752
233 S B -0.7730
234 G B -0.9298
235 S B -1.3697
236 N B -1.9918
237 N B -2.2250
238 L B 0.0000
239 T B -0.5686
240 F B -0.3168
241 V B -0.2241
242 G B -1.3564
243 G B -1.1496
244 D B -1.0679
245 M B -0.6518
246 F B -0.7846
247 K B -1.3839
248 C B -0.6706
249 I B 0.0000
250 P B -0.8318
251 K B -2.1816
252 A B -1.8155
253 D B -1.8630
254 A B 0.0000
255 V B 0.0000
256 L B 0.0000
257 L B 0.0000
258 K B -0.1513
259 L B 0.0281
260 V B 0.0000
261 L B 0.0000
262 H B -0.5713
263 N B -0.7507
264 W B -1.0831
265 N B -2.2026
266 D B -3.2056
267 N B -2.8784
268 D B -2.2340
269 C B 0.0000
270 M B -2.0476
271 K B -2.1842
272 I B 0.0000
273 L B 0.0000
274 E B -2.2943
275 N B 0.0000
276 C B 0.0000
277 K B -2.1645
278 E B -2.6910
279 A B 0.0000
280 I B 0.0000
281 S B -2.2702
282 G B -2.6283
283 E B -2.6190
284 S B -2.1247
285 K B -2.5040
286 T B -1.3827
287 G B 0.0000
288 K B -0.3665
289 V B 0.0000
290 V B 0.0000
291 V B 0.0000
292 I B 0.0000
293 D B 0.0000
294 T B 0.0000
295 V B 0.0000
296 I B 0.0000
297 N B -2.2582
298 E B -2.8670
299 N B -3.1151
300 K B -3.3077
301 D B -3.1434
302 E B -3.8452
303 R B -3.8600
304 Q B -2.6130
305 V B -1.9466
306 T B 0.0000
307 E B -1.6522
308 L B 0.0000
309 K B 0.0000
310 L B 0.0000
311 L B 0.0000
312 M B -0.0025
313 D B 0.0000
314 V B 0.0000
315 H B -0.0022
316 M B -0.0193
317 A B 0.0000
318 C B 0.0000
319 I B 0.0000
320 I B 0.3899
321 N B -0.5532
322 G B 0.0000
323 K B -0.7955
324 E B 0.0000
325 R B 0.0000
326 K B -1.9161
327 E B -2.3501
328 E B -3.3694
329 D B -3.0703
330 W B 0.0000
331 K B -3.0515
332 K B -3.4947
333 L B 0.0000
334 F B 0.0000
335 M B -1.5932
336 E B -2.6331
337 A B 0.0000
338 G B -1.4226
339 F B 0.0000
340 Q B -1.3775
341 S B -0.9658
342 Y B -0.8736
343 K B -1.3813
344 I B -0.4786
345 S B -0.3467
346 P B -0.2189
347 F B 0.0000
348 T B -0.6838
349 G B -0.6180
350 Y B 0.0000
351 L B 0.0000
352 S B -0.0398
353 L B 0.0000
354 I B 0.0000
355 E B 0.0000
356 I B 0.0000
357 Y B -0.3194
358 P B -0.6651
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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 -0.6223 -0.0053 View CSV PDB
ID206B -0.4161 -0.0062 View CSV PDB
MD1A -0.1286 -0.0073 View CSV PDB
ID206A -0.4124 -0.0019 View CSV PDB
IE206B 0.068 -0.007 View CSV PDB
IR206A 0.1233 -0.0041 View CSV PDB
CE601A 0.3967 -0.0087 View CSV PDB
CD601A 0.4322 -0.0072 View CSV PDB
IK63B 0.6813 -0.0085 View CSV PDB
IR63B 0.7889 -0.0097 View CSV PDB
IR63A 0.8428 -0.0098 View CSV PDB
IK63A 0.7273 -0.0084 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018