Project name: d3cfe2efc86c51d

Status: done

Started: 2026-05-20 07:37:39
Chain sequence(s) A: EVQLVESGGGLVKPGGSLKLSCAASGYTFTSYVMHWVRQAPGKGLEWIGYINPYNDGTKYNEKFQGRVTISSDKSISTAYMELSSLRSEDTAMYYCARGTYYYGTRVFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPATLSLSPGERATLSCRSSKSLQNVNGNTYLYWFQQKPGQSPQLLIYRMSNLNSGVPDRFSGSGSGTEFTLTISSLEPEDFAVYYCMQHLEYPITFGAGTKLEIKSGGGGSEVQLVESGGALVKPGGSLRLSCAASGFTFTEAWMHWVRQAPGKQLEWVAQIKDRSQTYATYYAESVKGRFTISRDDSKNTLYLQMNSLKTEDTAVYYCRGVYYANAPFDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIVMTQSPLSLPVTPGEPASISCRSSQSLVHNTGNTYLSWYLQKPGQSPQSLIYKVSNRASGVPDRFSGSGSGTDFTLKISRVEAEDVGVYYCGQGTQAPFTFGSGTKVEIKGGGGDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALAAPIEKTISKAKGQPREPQVYTLPPCREEMTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: EVQLLESGGGLVQPGGSLRLSCAASGFTFDDYAIGWFRQAPGKEREGVSCIRVSDGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAAGSLYTCVQSIVWPARPYYDMDYWGQGTLVTVSSEPKSSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALAAPIEKTISKAKGQPREPQVCTLPPSREEMTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
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 minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:14:01)
[INFO]       AutoMut:  Residue number 126 from chain B and a score of 1.721 (leucine) selected for 
                       automated mutation                                                          (00:14:12)
[INFO]       AutoMut:  Residue number 370 from chain A and a score of 1.474 (leucine) selected for 
                       automated mutation                                                          (00:14:12)
[INFO]       AutoMut:  Residue number 265 from chain A and a score of 1.405 (leucine) selected for 
                       automated mutation                                                          (00:14:12)
[INFO]       AutoMut:  Residue number 11 from chain B and a score of 1.359 (leucine) selected for  
                       automated mutation                                                          (00:14:12)
[INFO]       AutoMut:  Residue number 76 from chain A and a score of 1.331 (isoleucine) selected   
                       for automated mutation                                                      (00:14:12)
[INFO]       AutoMut:  Residue number 116 from chain A and a score of 1.315 (leucine) selected for 
                       automated mutation                                                          (00:14:12)
[INFO]       AutoMut:  Mutating residue number 126 from chain B (leucine) into glutamic acid       (00:14:12)
[INFO]       AutoMut:  Mutating residue number 370 from chain A (leucine) into glutamic acid       (00:14:12)
[INFO]       AutoMut:  Mutating residue number 126 from chain B (leucine) into aspartic acid       (00:14:12)
[INFO]       AutoMut:  Mutating residue number 126 from chain B (leucine) into arginine            (00:14:38)
[INFO]       AutoMut:  Mutating residue number 370 from chain A (leucine) into lysine              (00:14:41)
[INFO]       AutoMut:  Mutating residue number 126 from chain B (leucine) into lysine              (00:14:42)
[INFO]       AutoMut:  Mutating residue number 370 from chain A (leucine) into aspartic acid       (00:15:19)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (leucine) into glutamic acid       (00:15:19)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (leucine) into aspartic acid       (00:15:32)
[INFO]       AutoMut:  Mutating residue number 370 from chain A (leucine) into arginine            (00:15:44)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (leucine) into lysine              (00:15:45)
[INFO]       AutoMut:  Mutating residue number 265 from chain A (leucine) into arginine            (00:15:56)
[INFO]       AutoMut:  Mutating residue number 11 from chain B (leucine) into glutamic acid        (00:16:15)
[INFO]       AutoMut:  Mutating residue number 11 from chain B (leucine) into aspartic acid        (00:16:20)
[INFO]       AutoMut:  Mutating residue number 76 from chain A (isoleucine) into glutamic acid     (00:16:25)
[INFO]       AutoMut:  Mutating residue number 11 from chain B (leucine) into lysine               (00:16:47)
[INFO]       AutoMut:  Mutating residue number 11 from chain B (leucine) into arginine             (00:16:50)
[INFO]       AutoMut:  Mutating residue number 76 from chain A (isoleucine) into lysine            (00:16:55)
[INFO]       AutoMut:  Mutating residue number 76 from chain A (isoleucine) into aspartic acid     (00:17:25)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into glutamic acid       (00:17:25)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into aspartic acid       (00:17:35)
[INFO]       AutoMut:  Mutating residue number 76 from chain A (isoleucine) into arginine          (00:17:51)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into lysine              (00:17:52)
[INFO]       AutoMut:  Mutating residue number 116 from chain A (leucine) into arginine            (00:18:01)
[INFO]       AutoMut:  Effect of mutation residue number 126 from chain B (leucine) into glutamic  
                       acid: Energy difference: 0.2939 kcal/mol, Difference in average score from  
                       the base case: -0.0123                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 126 from chain B (leucine) into lysine:   
                       Energy difference: -0.2293 kcal/mol, Difference in average score from the   
                       base case: -0.0112                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 126 from chain B (leucine) into aspartic  
                       acid: Energy difference: 0.8226 kcal/mol, Difference in average score from  
                       the base case: -0.0113                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 126 from chain B (leucine) into arginine: 
                       Energy difference: -0.8452 kcal/mol, Difference in average score from the   
                       base case: -0.0120                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 370 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.3824 kcal/mol, Difference in average score from  
                       the base case: -0.0103                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 370 from chain A (leucine) into lysine:   
                       Energy difference: 0.1616 kcal/mol, Difference in average score from the    
                       base case: -0.0113                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 370 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.6507 kcal/mol, Difference in average score from  
                       the base case: -0.0098                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 370 from chain A (leucine) into arginine: 
                       Energy difference: 0.0308 kcal/mol, Difference in average score from the    
                       base case: -0.0110                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.3497 kcal/mol, Difference in average score from  
                       the base case: -0.0113                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (leucine) into lysine:   
                       Energy difference: 0.1402 kcal/mol, Difference in average score from the    
                       base case: -0.0106                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (leucine) into aspartic  
                       acid: Energy difference: 0.6204 kcal/mol, Difference in average score from  
                       the base case: -0.0114                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 265 from chain A (leucine) into arginine: 
                       Energy difference: -0.3310 kcal/mol, Difference in average score from the   
                       base case: -0.0128                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain B (leucine) into glutamic   
                       acid: Energy difference: 0.3603 kcal/mol, Difference in average score from  
                       the base case: -0.0113                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain B (leucine) into lysine:    
                       Energy difference: 0.4485 kcal/mol, Difference in average score from the    
                       base case: -0.0109                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain B (leucine) into aspartic   
                       acid: Energy difference: 0.6987 kcal/mol, Difference in average score from  
                       the base case: -0.0113                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 11 from chain B (leucine) into arginine:  
                       Energy difference: 0.2251 kcal/mol, Difference in average score from the    
                       base case: -0.0114                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 76 from chain A (isoleucine) into         
                       glutamic acid: Energy difference: 0.9431 kcal/mol, Difference in average    
                       score from the base case: -0.0102                                           (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 76 from chain A (isoleucine) into lysine: 
                       Energy difference: -0.6153 kcal/mol, Difference in average score from the   
                       base case: -0.0101                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 76 from chain A (isoleucine) into         
                       aspartic acid: Energy difference: 0.3222 kcal/mol, Difference in average    
                       score from the base case: -0.0101                                           (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 76 from chain A (isoleucine) into         
                       arginine: Energy difference: -0.6253 kcal/mol, Difference in average score  
                       from the base case: -0.0094                                                 (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.4981 kcal/mol, Difference in average score from  
                       the base case: -0.0116                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into lysine:   
                       Energy difference: -0.0888 kcal/mol, Difference in average score from the   
                       base case: -0.0109                                                          (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.0714 kcal/mol, Difference in average score from  
                       the base case: -0.0101                                                      (00:18:39)
[INFO]       AutoMut:  Effect of mutation residue number 116 from chain A (leucine) into arginine: 
                       Energy difference: 0.0278 kcal/mol, Difference in average score from the    
                       base case: -0.0113                                                          (00:18:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:49)
Show buried residues

Minimal score value
-3.8739
Maximal score value
1.7214
Average score
-0.6817
Total score value
-747.1309

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 E A -2.6225
2 V A -1.3376
3 Q A -1.3858
4 L A 0.0000
5 V A 0.6203
6 E A 0.0000
7 S A -0.2618
8 G A -0.6169
9 G A 0.0940
10 G A 0.8463
11 L A 1.3008
12 V A -0.2910
13 K A -1.9059
14 P A -1.8711
15 G A -1.4912
16 G A -1.1483
17 S A -1.2491
18 L A -1.0768
19 K A -2.1079
20 L A 0.0000
21 S A -0.4178
22 C A 0.0000
23 A A 0.5020
24 A A 0.0000
25 S A -0.5591
26 G A -1.4761
27 Y A -0.6918
28 T A -0.1648
29 F A 0.0000
30 T A -0.2092
31 S A 0.0000
32 Y A 0.5317
33 V A 0.0000
34 M A 0.0000
35 H A 0.0000
36 W A 0.0000
37 V A 0.0000
38 R A 0.0000
39 Q A 0.0000
40 A A -0.9022
41 P A -0.9498
42 G A -1.4146
43 K A -2.0755
44 G A -1.0487
45 L A 0.0000
46 E A -0.5422
47 W A 0.0000
48 I A 0.0000
49 G A 0.0000
50 Y A 0.0000
51 I A 0.0000
52 N A 0.0000
53 P A 0.0000
54 Y A -0.3130
55 N A -1.5388
56 D A -2.0279
57 G A -1.3856
58 T A -1.1557
59 K A -1.4356
60 Y A -1.4833
61 N A -1.9211
62 E A -3.3713
63 K A -3.1732
64 F A 0.0000
65 Q A -2.7919
66 G A -1.6918
67 R A -1.5780
68 V A 0.0000
69 T A -0.9777
70 I A 0.0000
71 S A -0.7569
72 S A -0.7799
73 D A -0.8859
74 K A -0.9093
75 S A 0.0241
76 I A 1.3309
77 S A 0.2434
78 T A 0.0000
79 A A 0.0000
80 Y A -0.6415
81 M A 0.0000
82 E A -1.5819
83 L A 0.0000
84 S A -1.1364
85 S A -1.1867
86 L A 0.0000
87 R A -2.6106
88 S A -2.0635
89 E A -2.0842
90 D A 0.0000
91 T A -0.3707
92 A A 0.0000
93 M A 0.5664
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 R A 0.0000
99 G A 0.0000
100 T A 0.4359
101 Y A 1.0406
102 Y A 0.7129
103 Y A 0.3717
104 G A 0.0000
105 T A -0.2268
106 R A -0.6000
107 V A 0.0000
108 F A 0.0000
109 D A -0.3148
110 Y A -0.1907
111 W A 0.0000
112 G A 0.0000
113 Q A -1.1550
114 G A -0.2554
115 T A 0.4031
116 L A 1.3152
117 V A 0.0000
118 T A 0.2223
119 V A 0.0000
120 S A -1.0174
121 S A -1.5439
122 G A -1.2537
123 G A -1.1544
124 G A -1.1631
125 G A -1.2416
126 S A -1.0214
127 G A -1.6051
128 G A -1.1968
129 G A -1.3322
130 G A -1.1908
131 S A -1.0333
132 G A -1.4818
133 G A -1.6313
134 G A -1.3174
135 G A -1.6213
136 S A -1.1125
137 D A -1.2350
138 I A 0.0000
139 V A 0.9004
140 M A 0.0000
141 T A -0.3478
142 Q A 0.0000
143 S A -0.4572
144 P A -0.2515
145 A A -0.1789
146 T A -0.4614
147 L A -0.1195
148 S A -0.2847
149 L A -0.2017
150 S A -0.8175
151 P A -0.9806
152 G A -1.1607
153 E A 0.0000
154 R A -0.7995
155 A A 0.0000
156 T A -0.0648
157 L A 0.0000
158 S A -0.8077
159 C A 0.0000
160 R A -2.1650
161 S A 0.0000
162 S A -0.9956
163 K A -1.7850
164 S A -1.4552
165 L A 0.0000
166 Q A -0.9853
167 N A -0.5334
168 V A -0.2384
169 N A -0.5945
170 G A -0.9708
171 N A -0.8601
172 T A 0.0000
173 Y A 0.0000
174 L A 0.0000
175 Y A 0.0000
176 W A 0.0000
177 F A 0.0000
178 Q A 0.0000
179 Q A 0.0000
180 K A -1.2613
181 P A -0.8936
182 G A -1.3332
183 Q A -1.8453
184 S A -1.2580
185 P A 0.0000
186 Q A -0.8956
187 L A 0.0000
188 L A 0.0000
189 I A 0.0000
190 Y A -0.3592
191 R A -0.6970
192 M A 0.0000
193 S A -0.3803
194 N A -0.5804
195 L A -0.2266
196 N A 0.0000
197 S A -0.4762
198 G A -0.6661
199 V A -0.4393
200 P A -0.7014
201 D A -0.9314
202 R A -0.8573
203 F A 0.0000
204 S A 0.0000
205 G A 0.0000
206 S A 0.0000
207 G A -1.0091
208 S A -1.1983
209 G A -1.4054
210 T A -1.9609
211 E A -2.6696
212 F A 0.0000
213 T A 0.0000
214 L A 0.0000
215 T A 0.0000
216 I A 0.0000
217 S A 0.0000
218 S A -0.9758
219 L A 0.0000
220 E A -1.8431
221 P A -1.2829
222 E A -1.9346
223 D A 0.0000
224 F A -0.5277
225 A A 0.0000
226 V A -0.2345
227 Y A 0.0000
228 Y A 0.0000
229 C A 0.0000
230 M A 0.0000
231 Q A 0.0000
232 H A 0.0000
233 L A 0.0000
234 E A -0.6185
235 Y A -0.3260
236 P A -0.9207
237 I A 0.0000
238 T A 0.1944
239 F A 0.3942
240 G A 0.0000
241 A A -0.2091
242 G A 0.0000
243 T A 0.0000
244 K A -0.7098
245 L A 0.0000
246 E A -0.4871
247 I A 0.7925
248 K A -0.8107
249 S A -0.7645
250 G A -1.0651
251 G A -1.3155
252 G A -1.5025
253 G A -1.7387
254 S A -1.6991
255 E A -2.4743
256 V A 0.0000
257 Q A -1.3810
258 L A 0.0000
259 V A 0.6454
260 E A 0.0000
261 S A -0.2503
262 G A -0.5790
263 G A 0.2226
264 A A 0.6210
265 L A 1.4049
266 V A -0.1720
267 K A -1.7821
268 P A -1.7284
269 G A -1.4387
270 G A -1.0750
271 S A -1.3823
272 L A -1.1196
273 R A -2.1544
274 L A 0.0000
275 S A -0.4612
276 C A 0.0000
277 A A -0.2265
278 A A 0.0000
279 S A -1.0385
280 G A -1.2223
281 F A 0.0000
282 T A -0.4312
283 F A 0.0000
284 T A -1.3364
285 E A -1.2942
286 A A 0.0000
287 W A -0.3157
288 M A 0.0000
289 H A 0.0000
290 W A 0.0000
291 V A 0.0000
292 R A 0.0000
293 Q A -0.7681
294 A A -1.1227
295 P A -0.8926
296 G A -1.5213
297 K A -2.3911
298 Q A -1.6711
299 L A 0.0000
300 E A -1.1622
301 W A 0.0000
302 V A 0.0000
303 A A 0.0000
304 Q A 0.0000
305 I A 0.0000
306 K A -0.7452
307 D A -1.5236
308 R A -2.3601
309 S A -1.5922
310 Q A -1.4719
311 T A -1.0099
312 Y A -0.5912
313 A A -0.2816
314 T A 0.2124
315 Y A 0.1450
316 Y A -0.6425
317 A A 0.0000
318 E A -2.6307
319 S A -2.0246
320 V A 0.0000
321 K A -2.4169
322 G A -1.7028
323 R A -1.6175
324 F A 0.0000
325 T A -0.7900
326 I A 0.0000
327 S A -0.2547
328 R A -0.9500
329 D A -1.2735
330 D A -1.6470
331 S A -1.4110
332 K A -2.2489
333 N A -1.5996
334 T A -0.9251
335 L A 0.0000
336 Y A -0.5599
337 L A 0.0000
338 Q A -1.3006
339 M A 0.0000
340 N A -1.5158
341 S A -1.2720
342 L A 0.0000
343 K A -2.2174
344 T A -1.9916
345 E A -2.4764
346 D A 0.0000
347 T A -0.3495
348 A A 0.0000
349 V A 0.7054
350 Y A 0.0000
351 Y A 0.0000
352 C A 0.0000
353 R A 0.0000
354 G A 0.0000
355 V A 0.0000
356 Y A 0.0000
357 Y A 0.0843
358 A A -0.0989
359 N A -0.3661
360 A A 0.0000
361 P A -0.0048
362 F A 0.0000
363 D A 0.0000
364 Y A -0.2060
365 W A -0.2554
366 G A 0.0000
367 Q A -1.1621
368 G A 0.0000
369 T A 0.5381
370 L A 1.4735
371 V A 0.0000
372 T A 0.3522
373 V A 0.0000
374 S A -1.0264
375 S A -1.3948
376 G A -1.2321
377 G A -1.1364
378 G A -1.1719
379 G A -1.2506
380 S A -1.0339
381 G A -1.6299
382 G A -1.4777
383 G A -1.3998
384 G A -1.4547
385 S A -1.0669
386 G A -1.5353
387 G A -1.6597
388 G A -1.2729
389 G A -1.5183
390 S A -1.2834
391 D A -1.2661
392 I A 0.0000
393 V A 1.2264
394 M A 0.0000
395 T A 0.4038
396 Q A 0.0000
397 S A -0.0484
398 P A 0.1109
399 L A 1.2508
400 S A 0.2185
401 L A -0.0671
402 P A -0.9808
403 V A 0.0000
404 T A -1.2978
405 P A -1.6085
406 G A -1.4504
407 E A -1.6355
408 P A -1.2725
409 A A 0.0000
410 S A -0.0198
411 I A 0.0000
412 S A 0.0000
413 C A 0.0000
414 R A -0.0662
415 S A 0.0000
416 S A -0.2771
417 Q A -0.7867
418 S A 0.0000
419 L A 0.0000
420 V A -0.8888
421 H A -1.5004
422 N A -1.9315
423 T A -1.3252
424 G A -1.5195
425 N A -0.9493
426 T A -0.5113
427 Y A 0.0000
428 L A 0.0000
429 S A 0.0000
430 W A 0.0000
431 Y A 0.0000
432 L A 0.0000
433 Q A -0.8883
434 K A -1.4017
435 P A -1.0971
436 G A -1.3156
437 Q A -1.8318
438 S A -1.3149
439 P A 0.0000
440 Q A -1.1012
441 S A 0.0000
442 L A 0.0000
443 I A 0.0000
444 Y A 0.0000
445 K A -0.3668
446 V A 0.0000
447 S A -0.3821
448 N A -0.4012
449 R A 0.0000
450 A A 0.0000
451 S A -0.5380
452 G A -1.0862
453 V A 0.0000
454 P A -1.2610
455 D A -2.3358
456 R A -1.7270
457 F A 0.0000
458 S A -0.6134
459 G A 0.0000
460 S A -0.2473
461 G A -0.3446
462 S A -0.2979
463 G A 0.0000
464 T A -0.3009
465 D A 0.0000
466 F A 0.0000
467 T A 0.0000
468 L A 0.0000
469 K A 0.0000
470 I A 0.0000
471 S A -1.7557
472 R A -2.7356
473 V A 0.0000
474 E A -2.0642
475 A A -1.4504
476 E A -2.1616
477 D A 0.0000
478 V A -0.9206
479 G A 0.0000
480 V A -0.2311
481 Y A 0.0000
482 Y A 0.0000
483 C A 0.0000
484 G A 0.0000
485 Q A 0.0000
486 G A -0.5163
487 T A -0.8605
488 Q A -1.2788
489 A A -0.6079
490 P A -0.9045
491 F A 0.0000
492 T A -0.1351
493 F A 0.0000
494 G A 0.0000
495 S A -0.3029
496 G A 0.0000
497 T A 0.0000
498 K A -0.5538
499 V A 0.0000
500 E A -1.5182
501 I A -1.3232
502 K A -2.1331
503 G A -1.7638
504 G A -1.5921
505 G A -2.0289
506 G A -2.1995
507 D A -3.1991
508 K A -3.0458
509 T A -1.8259
510 H A -1.5622
511 T A -0.6337
512 C A 0.3162
513 P A -0.0203
514 P A 0.1251
515 C A 0.6677
516 P A -0.5492
517 A A -0.3194
518 P A -0.9949
519 E A -1.5967
520 A A -0.7318
521 A A -0.5375
522 G A -0.7125
523 G A -0.7667
524 P A 0.0000
525 S A 0.0000
526 V A 0.0000
527 F A 0.0000
528 L A 0.0000
529 F A 0.0000
530 P A 0.0000
531 P A 0.0000
532 K A -1.1386
533 P A 0.0000
534 K A -0.9078
535 D A -1.3354
536 T A 0.0000
537 L A 0.0000
538 Y A 0.1493
539 I A 1.1539
540 T A -0.0447
541 R A -1.6369
542 E A -2.2044
543 P A 0.0000
544 E A -1.6211
545 V A 0.0000
546 T A -0.4430
547 C A 0.0000
548 V A 0.0000
549 V A 0.0000
550 V A 0.0000
551 D A -0.9078
552 V A 0.0000
553 S A -2.1114
554 H A -2.5576
555 E A -2.9446
556 D A -2.5404
557 P A -2.6575
558 E A -3.1584
559 V A -2.0416
560 K A -2.2489
561 F A -1.1816
562 N A -1.0892
563 W A 0.0000
564 Y A -0.6345
565 V A -0.9456
566 D A -2.1838
567 G A -0.9180
568 V A 0.5657
569 E A -0.6394
570 V A -0.5635
571 H A -1.8741
572 N A -2.1726
573 A A -1.9037
574 K A -2.4290
575 T A -1.9801
576 K A -2.1813
577 P A -2.2612
578 R A -3.3246
579 E A -2.9320
580 E A -2.7309
581 Q A 0.0000
582 Y A 0.2218
583 N A -0.2409
584 S A -0.7601
585 T A -1.4250
586 Y A 0.0000
587 R A -1.8317
588 V A 0.0000
589 V A 0.0000
590 S A 0.0000
591 V A 0.0000
592 L A 0.0000
593 T A -1.1669
594 V A 0.0000
595 L A 0.3144
596 H A 0.0000
597 Q A -1.0615
598 D A -1.3453
599 W A 0.0000
600 L A -0.9746
601 N A -1.8906
602 G A 0.0000
603 K A -2.1763
604 E A -2.2734
605 Y A 0.0000
606 K A -1.3967
607 C A 0.0000
608 K A -1.2543
609 V A 0.0000
610 S A -1.4191
611 N A 0.0000
612 K A -2.4676
613 A A -1.3196
614 L A -0.6121
615 A A -0.3798
616 A A -0.4820
617 P A -0.8681
618 I A -0.7011
619 E A -1.5148
620 K A -0.9541
621 T A -1.1137
622 I A 0.0000
623 S A -1.1724
624 K A 0.0000
625 A A -0.6086
626 K A -1.2251
627 G A -1.2772
628 Q A -1.9704
629 P A -1.5769
630 R A -1.9651
631 E A -2.6012
632 P A 0.0000
633 Q A -1.1166
634 V A 0.0000
635 Y A 0.0000
636 T A -0.7583
637 L A 0.0000
638 P A -0.3100
639 P A 0.0000
640 C A -1.3179
641 R A -2.5215
642 E A -2.5837
643 E A 0.0000
644 M A -1.8318
645 T A -1.6390
646 K A -2.3145
647 N A -2.4859
648 Q A -2.1810
649 V A 0.0000
650 S A 0.0000
651 L A 0.0000
652 W A 0.0000
653 C A 0.0000
654 L A 0.0000
655 V A 0.0000
656 K A -0.5695
657 G A -0.9906
658 F A 0.0000
659 Y A 0.0000
660 P A 0.0000
661 S A -0.0429
662 D A -0.2917
663 I A -0.1008
664 A A -0.2995
665 V A 0.0000
666 E A -1.2908
667 W A 0.0000
668 E A -1.8763
669 S A 0.0000
670 N A -1.8521
671 G A -1.7653
672 Q A -2.2810
673 P A -1.9245
674 E A 0.0000
675 N A -2.0657
676 N A -1.4862
677 Y A -1.0547
678 K A -1.0063
679 T A -0.4046
680 T A 0.0000
681 P A 0.0000
682 P A 0.0000
683 V A 0.0466
684 L A -0.1431
685 D A -0.5422
686 S A -1.2251
687 D A -1.8696
688 G A 0.0000
689 S A 0.0000
690 F A -0.0119
691 F A 0.0000
692 L A 0.0000
693 Y A 0.0000
694 S A 0.0000
695 K A 0.0000
696 L A 0.0000
697 T A -0.8252
698 V A 0.0000
699 D A -2.2330
700 K A -2.4402
701 S A -2.1058
702 R A -1.8544
703 W A 0.0000
704 Q A -2.3285
705 Q A -2.1096
706 G A -1.1734
707 N A -0.8218
708 V A 0.2621
709 F A 0.0000
710 S A -1.0930
711 C A 0.0000
712 S A 0.0000
713 V A 0.0000
714 M A 0.0000
715 H A 0.0000
716 E A -1.0261
717 A A -1.5651
718 L A 0.0000
719 H A -1.8872
720 N A -1.5401
721 H A -1.0860
722 Y A -0.8102
723 T A 0.0000
724 Q A -1.5942
725 K A -1.2010
726 S A -0.5648
727 L A 0.0000
728 S A -0.1235
729 L A -0.3662
730 S A -0.7208
731 P A -1.2187
732 G A -1.4311
733 K A -2.0286
1 E B -1.9800
2 V B -1.1470
3 Q B -0.8023
4 L B 0.0000
5 L B 0.0000
6 E B 0.0000
7 S B 0.0000
8 G B -0.3168
9 G B 0.3769
10 G B 0.8176
11 L B 1.3594
12 V B 0.0000
13 Q B -1.6933
14 P B -1.7713
15 G B -1.2665
16 G B -0.9847
17 S B -1.1367
18 L B -0.6838
19 R B -1.3262
20 L B 0.0000
21 S B 0.0000
22 C B 0.0000
23 A B 0.0000
24 A B 0.0000
25 S B -0.6655
26 G B -1.1356
27 F B 0.0000
28 T B 0.0000
29 F B 0.0000
30 D B 0.0000
31 D B 0.0000
32 Y B 0.0000
33 A B 0.0000
34 I B 0.0000
35 G B 0.0000
36 W B 0.0000
37 F B 0.0000
38 R B 0.0000
39 Q B -1.0586
40 A B -1.3647
41 P B -1.2963
42 G B -2.1701
43 K B -3.0517
44 E B -2.9961
45 R B -1.6691
46 E B -1.0065
47 G B 0.0000
48 V B 0.0000
49 S B 0.0000
50 C B 0.0000
51 I B 0.0000
52 R B -0.8581
53 V B 0.0000
54 S B 0.0000
55 D B -1.9048
56 G B -1.4717
57 S B 0.0000
58 T B 0.0000
59 Y B 0.0000
60 Y B 0.0000
61 A B 0.0000
62 D B -1.0540
63 S B -0.5983
64 V B 0.0000
65 K B 0.0000
66 G B -0.5881
67 R B 0.0000
68 F B 0.0000
69 T B -0.4334
70 I B 0.0000
71 S B -0.6818
72 R B -1.2246
73 D B -1.0967
74 N B -0.7530
75 S B -0.6437
76 K B -0.6259
77 N B 0.0000
78 T B 0.0000
79 L B 0.0000
80 Y B -0.5333
81 L B 0.0000
82 Q B -0.7765
83 M B 0.0000
84 N B -1.0702
85 S B -0.8881
86 L B 0.0000
87 R B -1.9865
88 A B -1.6457
89 E B -2.1653
90 D B 0.0000
91 T B -0.3554
92 A B 0.0000
93 V B 0.8437
94 Y B 0.0000
95 Y B 0.2426
96 C B 0.0000
97 A B 0.0000
98 A B 0.0000
99 G B 0.0000
100 S B -0.3449
101 L B 0.0000
102 Y B 0.0655
103 T B -0.1920
104 C B 0.0000
105 V B 0.0000
106 Q B 0.0000
107 S B 0.0000
108 I B 0.0000
109 V B 0.3063
110 W B 0.4954
111 P B -0.2089
112 A B -0.1951
113 R B 0.0000
114 P B -0.0379
115 Y B 0.0000
116 Y B -0.1930
117 D B -0.4661
118 M B 0.0000
119 D B -1.1182
120 Y B -0.3367
121 W B -0.0796
122 G B -0.1682
123 Q B -0.3677
124 G B 0.1753
125 T B 0.6421
126 L B 1.7214
127 V B 0.0000
128 T B 0.3190
129 V B 0.0000
130 S B -1.5210
131 S B -1.8658
132 E B -2.7669
133 P B -2.3019
134 K B -2.7694
135 S B -2.2212
136 S B -2.1243
137 D B -3.2504
138 K B -2.8989
139 T B -1.8085
140 H B -1.6672
141 T B -0.8096
142 C B 0.1484
143 P B -0.0407
144 P B 0.1065
145 C B 0.6663
146 P B -0.3090
147 A B -0.0949
148 P B -0.5690
149 E B -0.7185
150 A B -0.2846
151 A B -0.2938
152 G B -0.5570
153 G B -0.4651
154 P B 0.0000
155 S B 0.0000
156 V B 0.0000
157 F B 0.0000
158 L B 0.0000
159 F B -0.1386
160 P B 0.0000
161 P B 0.0000
162 K B -1.6586
163 P B -1.1244
164 K B -0.9877
165 D B 0.0000
166 T B 0.0000
167 L B 0.0000
168 Y B 0.4259
169 I B 0.9880
170 T B 0.0000
171 R B 0.0000
172 E B -0.1774
173 P B 0.0000
174 E B -0.9768
175 V B 0.0000
176 T B -0.2922
177 C B 0.0000
178 V B 0.0000
179 V B 0.0000
180 V B 0.0000
181 D B 0.0000
182 V B 0.0000
183 S B -1.9739
184 H B -2.4902
185 E B -2.9548
186 D B -2.5450
187 P B -2.6072
188 E B -3.1358
189 V B -2.0122
190 K B -2.2451
191 F B -1.2906
192 N B -1.0415
193 W B 0.0000
194 Y B -0.6227
195 V B -0.8952
196 D B -2.1763
197 G B -0.9049
198 V B 0.5819
199 E B -0.5806
200 V B -0.4347
201 H B -1.6828
202 N B -1.7866
203 A B -1.7539
204 K B -2.7204
205 T B -2.3140
206 K B -3.0037
207 P B -2.7041
208 R B -3.8690
209 E B -3.8739
210 E B -3.5213
211 Q B 0.0000
212 Y B -1.3117
213 N B 0.0000
214 S B -1.6820
215 T B -1.8574
216 Y B -2.2754
217 R B -1.9391
218 V B 0.0000
219 V B -1.1834
220 S B 0.0000
221 V B 0.0000
222 L B 0.0000
223 T B -0.5923
224 V B 0.0000
225 L B 0.5618
226 H B 0.0000
227 Q B -1.0407
228 D B -1.3047
229 W B 0.0000
230 L B -0.9009
231 N B -1.9817
232 G B -2.0163
233 K B -2.1518
234 E B -2.2104
235 Y B 0.0000
236 K B -1.2959
237 C B 0.0000
238 K B -1.1036
239 V B 0.0000
240 S B -1.3727
241 N B 0.0000
242 K B -2.4758
243 A B -1.3253
244 L B -0.4935
245 A B -0.2176
246 A B -0.3373
247 P B -0.8094
248 I B -0.4881
249 E B -1.1999
250 K B -0.8835
251 T B -0.9034
252 I B -0.3475
253 S B -1.2625
254 K B -1.2329
255 A B -1.2362
256 K B -2.3354
257 G B -1.9642
258 Q B -2.1214
259 P B -1.7515
260 R B -2.0307
261 E B -2.5677
262 P B 0.0000
263 Q B -1.1376
264 V B 0.0000
265 C B 0.0000
266 T B 0.0000
267 L B 0.0000
268 P B -0.3789
269 P B -0.7824
270 S B 0.0000
271 R B -2.4654
272 E B -2.3617
273 E B 0.0000
274 M B -1.7247
275 T B -1.4772
276 K B -2.0463
277 N B -2.3495
278 Q B -1.9932
279 V B 0.0000
280 S B 0.0000
281 L B 0.0000
282 S B 0.0000
283 C B 0.0000
284 A B 0.0000
285 V B 0.0000
286 K B -0.6613
287 G B -1.1746
288 F B 0.0000
289 Y B -1.1205
290 P B 0.0000
291 S B -0.2706
292 D B -0.8788
293 I B -0.4572
294 A B 0.0000
295 V B 0.0000
296 E B -1.0205
297 W B 0.0000
298 E B -1.1868
299 S B 0.0000
300 N B -1.5333
301 G B -1.2945
302 Q B -1.2641
303 P B -0.8601
304 E B 0.0000
305 N B -0.6622
306 N B -0.4111
307 Y B -0.3701
308 K B -0.6068
309 T B -0.3165
310 T B 0.0000
311 P B -0.0421
312 P B -0.0597
313 V B 0.0000
314 L B -0.9482
315 D B -1.4517
316 S B -1.8511
317 D B -2.0650
318 G B -1.4126
319 S B 0.0000
320 F B -0.2995
321 F B 0.0000
322 L B 0.0000
323 V B 0.0000
324 S B 0.0000
325 K B 0.0000
326 L B 0.0000
327 T B -0.4367
328 V B 0.0000
329 D B -2.1346
330 K B -2.4291
331 S B -2.0876
332 R B -1.7693
333 W B 0.0000
334 Q B -2.2903
335 Q B -2.0644
336 G B -1.1110
337 N B -0.7457
338 V B 0.3115
339 F B 0.0000
340 S B 0.0000
341 C B 0.0000
342 S B 0.0000
343 V B 0.0000
344 M B 0.0000
345 H B 0.0000
346 E B -1.0551
347 A B -1.4682
348 L B -1.4153
349 H B -1.7708
350 N B -1.6680
351 H B -1.1841
352 Y B -0.4420
353 T B -0.6862
354 Q B -1.0648
355 K B -0.9965
356 S B -0.4412
357 L B 0.0000
358 S B -0.0744
359 L B -0.3085
360 S B -0.5960
361 P B -1.2282
362 G B -1.4259
363 K B -2.0324
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Automated mutations analysis - charged mutations

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
LR126B -0.8452 -0.012 View CSV PDB
IK76A -0.6153 -0.0101 View CSV PDB
LR265A -0.331 -0.0128 View CSV PDB
IR76A -0.6253 -0.0094 View CSV PDB
LK126B -0.2293 -0.0112 View CSV PDB
LK116A -0.0888 -0.0109 View CSV PDB
LR116A 0.0278 -0.0113 View CSV PDB
LR370A 0.0308 -0.011 View CSV PDB
LK265A 0.1402 -0.0106 View CSV PDB
LK370A 0.1616 -0.0113 View CSV PDB
LR11B 0.2251 -0.0114 View CSV PDB
LE11B 0.3603 -0.0113 View CSV PDB