Aggrescan3D: PDS

Project name: PDS

Status: done

Started: 2024-12-27 07:14:52

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Chain sequence(s)	A: PTKPLQVVIAGAGLAGLSTAKYLADAGHKPILLEARDVLGGKIAAWKDEDGDWYETGLHIFFGAYPNIQNLFGELGINDRLQWKEHSMIFAMPNKPGEFSRFDFPETLPAPLNGIWAILRNNEMLTWPEKVKFALGLLPAMVGGQAYVEAQDGFTVSEWMKKQGVPDRVNDEVFIAMSKALNFINPDELSMQCILIALNRFLQEKHGSKMAFLDGNPPERLCMPIVDHVRSLGGEVRLNSRIQKIELNPDGTVKHFALTDGTQITGDAYVFATPVDILKLLVPQEWKEISYFKKLEKLVGVPVINVHIWFDRKLKNTYDHLLFSRSSLLSVYADMSVTCKEYYDPNRSMLELVFAPAEEWVGRSDTEIIEATMQELAKLFPDEIAADQSKAKILKYHVVKTPRSVYKTIPDCEPCRPLQRSPIEGFYLAGDYTKQKYLASMEGAVLSGKLCAQSVVEDYKMLSRRSL C: TKPLQVVIAGAGLAGLSTAKYLADAGHKPILLEARDVLGGKIAAWKDEDGDWYETGLHIFFGAYPNIQNLFGELGINDRLQWKEHSMIFAMPNKPGEFSRFDFPETLPAPLNGIWAILRNNEMLTWPEKVKFALGLLPAMVGGQAYVEAQDGFTVSEWMKKQGVPDRVNDEVFIAMSKALNFINPDELSMQCILIALNRFLQEKHGSKMAFLDGNPPERLCMPIVDHVRSLGGEVRLNSRIQKIELNPDGTVKHFALTDGTQITGDAYVFATPVDILKLLVPQEWKEISYFKKLEKLVGVPVINVHIWFDRKLKNTYDHLLFSRSSLLSVYADMSVTCKEYYDPNRRSMLELVFAPAEEWVGRSDTEIIEATMQELAKLFPDEIAADQSKAKILKYHVVKTPRSVYKTIPDCEPCRPLQRSPIEGFYLAGDYTKQKYLASMEGAVLSGKLCAQSVVEDYKMLSRRSLKSLQ B: FRNSEQPTKPLQVVIAGAGLAGLSTAKYLADAGHKPILLEARDVLGGKIAAWKDEDGDWYETGLHIFFGAYPNIQNLFGELGINDRLQWKEHSMIFAMPNKPGEFSRFDFPETLPAPLNGIWAILRRNNEMLTWPEKVKFALGLLPAMVGGQAYVEAQDGFTVSEWMKKQGVPDRVNDEVFIAMSKALNFINPDELSMQCILIALNRFLQEKHGSKMAFLDGNPPERLCMPIVDHVRSLGGEVRLNSRIQKIELNPDGTVKHFALTDGTQITGDAYVFATPVDILKLLVPQEWKEISYFKKLEKLVGVPVINVHIWFDRKLKNTYDHLLFSRSSLLSVYADMSVTCKEYYDPNRSMLELVFAPAEEWVGRSDTEIIEATMQELAKLFPDEIAADQSKAKILKYHVVKTPRSVYKTIPDCEPCRPLQRSPIEGFYLAGDYTKQKYLASMEGAVLSGKLCAQSVVEDYKMLSRRS E: TKPLQVVIAGAGLAGLSTAKYLADAGHKPILLEARDVLGGKIAAWKDEDGDWYETGLHIFFGAYPNIQNLFGELGINDRLQWKEHSMIFAMPNKPGEFSRFDFPETLPAPLNGIWAILRNNEMLTWPEKVKFALGLLPAMVGGQAYVEAQDGFTVSEWMKKQGVPDRVNDEVFIAMSKALNFINPDELSMQCILIALNRFLQEKHGSKMAFLDGNPPERLCMPIVDHVRSLGGEVRLNSRIQKIELNPDGTVKHFALTDGTQITGDAYVFATPVDILKLLVPQEWKEISYFKKLEKLVGVPVINVHIWFDRKLKNTYDHLLFSRSSLLSVYADMSVTCKEYYDPNRSMLELVFAPAEEWVGRSDTEIIEATMQELAKLFPDEIAADQSKAKILKYHVVKTPRSVYKTIPDCEPCRPLQRSPIEGFYLAGDYTKQKYLASMEGAVLSGKLCAQSVVEDYKMLSRRSL D: TKPLQVVIAGAGLAGLSTAKYLADAGHKPILLEARDVLGGKIAAWKDEDGDWYETGLHIFFGAYPNIQNLFGELGINDRLQWKEHSMIFAMPNKPGEFSRFDFPETLPAPLNGIWAILRNNEMLTWPEKVKFALGLLPAMVGGQAYVEAQDGFTVSEWMKKQGVPDRVNDEVFIAMSKALNFINPDELSMQCILIALNRFLQEKHGSKMAFLDGNPPERLCMPIVDHVRSLGGEVRLNSRIQKIELNPDGTVKHFALTDGTQITGDAYVFATPVDILKLLVPQEWKEISYFKKLEKLVGVPVINVHIWFDRKLKNTYDHLLFSRSSLLSVYADMSVTCKEYYDPNRSMLELVFAPAEEWVGRSDTEIIEATMQELAKLFPDEIAADQSKAKILKYHVVKTPRSVYKTIPDCEPCRPLQRSPIEGFYLAGDYTKQKYLASMEGAVLSGKLCAQSVVEDYKMLSRRSLKSLQ input PDB
Selected Chain(s)	A,C,B,E,D
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	Yes
Downloads	Download all the data

Simulation log

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[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                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:37:51)
[INFO]       Auto_mut: Residue number 238 from chain C and a score of 2.136 (leucine) selected for 
                       automated muatation                                                         (00:39:07)
[INFO]       Auto_mut: Residue number 242 from chain C and a score of 2.096 (valine) selected for  
                       automated muatation                                                         (00:39:07)
[INFO]       Auto_mut: Residue number 215 from chain A and a score of 2.035 (isoleucine) selected  
                       for automated muatation                                                     (00:39:07)
[INFO]       Auto_mut: Residue number 242 from chain D and a score of 2.022 (valine) selected for  
                       automated muatation                                                         (00:39:07)
[INFO]       Auto_mut: Residue number 215 from chain B and a score of 1.941 (isoleucine) selected  
                       for automated muatation                                                     (00:39:07)
[INFO]       Auto_mut: Residue number 242 from chain E and a score of 1.934 (valine) selected for  
                       automated muatation                                                         (00:39:07)
[INFO]       Auto_mut: Mutating residue number 238 from chain C (leucine) into glutamic acid       (00:39:07)
[INFO]       Auto_mut: Mutating residue number 238 from chain C (leucine) into aspartic acid       (00:39:07)
[INFO]       Auto_mut: Mutating residue number 242 from chain C (valine) into glutamic acid        (00:39:07)
[INFO]       Auto_mut: Mutating residue number 238 from chain C (leucine) into arginine            (00:57:27)
[INFO]       Auto_mut: Mutating residue number 242 from chain C (valine) into lysine               (00:59:13)
[INFO]       Auto_mut: Mutating residue number 238 from chain C (leucine) into lysine              (00:59:39)
[INFO]       Auto_mut: Mutating residue number 242 from chain C (valine) into aspartic acid        (01:16:35)
[INFO]       Auto_mut: Mutating residue number 215 from chain A (isoleucine) into glutamic acid    (01:18:12)
[INFO]       Auto_mut: Mutating residue number 215 from chain A (isoleucine) into aspartic acid    (01:19:35)
[INFO]       Auto_mut: Mutating residue number 242 from chain C (valine) into arginine             (01:34:41)
[INFO]       Auto_mut: Mutating residue number 215 from chain A (isoleucine) into lysine           (01:36:59)
[INFO]       Auto_mut: Mutating residue number 215 from chain A (isoleucine) into arginine         (01:38:55)
[INFO]       Auto_mut: Mutating residue number 242 from chain D (valine) into glutamic acid        (01:53:24)
[INFO]       Auto_mut: Mutating residue number 242 from chain D (valine) into aspartic acid        (01:56:35)
[INFO]       Auto_mut: Mutating residue number 215 from chain B (isoleucine) into glutamic acid    (01:58:34)
[INFO]       Auto_mut: Mutating residue number 242 from chain D (valine) into lysine               (02:12:15)
[INFO]       Auto_mut: Mutating residue number 242 from chain D (valine) into arginine             (02:15:34)
[INFO]       Auto_mut: Mutating residue number 215 from chain B (isoleucine) into lysine           (02:17:48)
[INFO]       Auto_mut: Mutating residue number 215 from chain B (isoleucine) into aspartic acid    (02:31:32)
[INFO]       Auto_mut: Mutating residue number 242 from chain E (valine) into glutamic acid        (02:34:24)
[INFO]       Auto_mut: Mutating residue number 242 from chain E (valine) into aspartic acid        (02:36:50)
[INFO]       Auto_mut: Mutating residue number 215 from chain B (isoleucine) into arginine         (02:50:08)
[INFO]       Auto_mut: Mutating residue number 242 from chain E (valine) into lysine               (02:53:15)
[INFO]       Auto_mut: Mutating residue number 242 from chain E (valine) into arginine             (02:55:50)
[INFO]       Auto_mut: Effect of mutation residue number 238 from chain C (leucine) into glutamic  
                       acid: Energy difference: 0.2413 kcal/mol, Difference in average score from  
                       the base case: -0.0053                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 238 from chain C (leucine) into lysine:   
                       Energy difference: -0.2675 kcal/mol, Difference in average score from the   
                       base case: -0.0067                                                          (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 238 from chain C (leucine) into aspartic  
                       acid: Energy difference: 0.7691 kcal/mol, Difference in average score from  
                       the base case: -0.0060                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 238 from chain C (leucine) into arginine: 
                       Energy difference: -0.0423 kcal/mol, Difference in average score from the   
                       base case: -0.0038                                                          (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain C (valine) into glutamic   
                       acid: Energy difference: -0.0926 kcal/mol, Difference in average score from 
                       the base case: -0.0055                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain C (valine) into lysine:    
                       Energy difference: -0.7729 kcal/mol, Difference in average score from the   
                       base case: -0.0068                                                          (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain C (valine) into aspartic   
                       acid: Energy difference: 0.6924 kcal/mol, Difference in average score from  
                       the base case: -0.0058                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain C (valine) into arginine:  
                       Energy difference: -0.6836 kcal/mol, Difference in average score from the   
                       base case: -0.0042                                                          (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain A (isoleucine) into        
                       glutamic acid: Energy difference: 0.3701 kcal/mol, Difference in average    
                       score from the base case: -0.0051                                           (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain A (isoleucine) into        
                       lysine: Energy difference: 0.2725 kcal/mol, Difference in average score     
                       from the base case: -0.0061                                                 (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain A (isoleucine) into        
                       aspartic acid: Energy difference: 0.8874 kcal/mol, Difference in average    
                       score from the base case: -0.0057                                           (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain A (isoleucine) into        
                       arginine: Energy difference: 0.3902 kcal/mol, Difference in average score   
                       from the base case: -0.0053                                                 (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain D (valine) into glutamic   
                       acid: Energy difference: 0.0490 kcal/mol, Difference in average score from  
                       the base case: -0.0055                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain D (valine) into lysine:    
                       Energy difference: -0.8320 kcal/mol, Difference in average score from the   
                       base case: -0.0041                                                          (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain D (valine) into aspartic   
                       acid: Energy difference: 0.8186 kcal/mol, Difference in average score from  
                       the base case: -0.0050                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain D (valine) into arginine:  
                       Energy difference: -0.5493 kcal/mol, Difference in average score from the   
                       base case: -0.0053                                                          (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain B (isoleucine) into        
                       glutamic acid: Energy difference: 0.4395 kcal/mol, Difference in average    
                       score from the base case: -0.0054                                           (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain B (isoleucine) into        
                       lysine: Energy difference: 0.0921 kcal/mol, Difference in average score     
                       from the base case: -0.0059                                                 (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain B (isoleucine) into        
                       aspartic acid: Energy difference: 1.0001 kcal/mol, Difference in average    
                       score from the base case: -0.0063                                           (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 215 from chain B (isoleucine) into        
                       arginine: Energy difference: 0.3984 kcal/mol, Difference in average score   
                       from the base case: -0.0056                                                 (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain E (valine) into glutamic   
                       acid: Energy difference: 0.0063 kcal/mol, Difference in average score from  
                       the base case: -0.0053                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain E (valine) into lysine:    
                       Energy difference: -0.7455 kcal/mol, Difference in average score from the   
                       base case: -0.0052                                                          (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain E (valine) into aspartic   
                       acid: Energy difference: 0.6863 kcal/mol, Difference in average score from  
                       the base case: -0.0051                                                      (03:15:02)
[INFO]       Auto_mut: Effect of mutation residue number 242 from chain E (valine) into arginine:  
                       Energy difference: -0.5743 kcal/mol, Difference in average score from the   
                       base case: -0.0055                                                          (03:15:02)
[INFO]       Main:     Simulation completed successfully.                                          (03:15:48)

Note Your prediction results will be deleted after 360 days.

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Show buried residues

Minimal score value: -3.7675
Maximal score value: 2.1358
Average score: -0.7242
Total score value: -1698.1648

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
101	P	A	-1.0540
102	T	A	-1.0632
103	K	A	-1.9802
104	P	A	-1.3100
105	L	A	0.0000
106	Q	A	-0.9308
107	V	A	0.0000
108	V	A	0.0000
109	I	A	0.0000
110	A	A	0.0000
111	G	A	-0.4097
112	A	A	0.0000
113	G	A	-0.2232
114	L	A	0.0000
115	A	A	0.0000
116	G	A	0.0000
117	L	A	0.0000
118	S	A	0.0000
119	T	A	0.0000
120	A	A	0.0000
121	K	A	0.0000
122	Y	A	-0.6195
123	L	A	0.0000
124	A	A	0.0000
125	D	A	-1.4536
126	A	A	-0.8565
127	G	A	-0.9686
128	H	A	0.0000
129	K	A	-1.3945
130	P	A	0.0000
131	I	A	0.0000
132	L	A	0.0000
133	L	A	0.0000
134	E	A	0.0000
135	A	A	-1.7936
136	R	A	-2.3663
137	D	A	-2.4921
138	V	A	-1.1414
139	L	A	0.0000
140	G	A	0.0000
141	G	A	-0.4835
142	K	A	-0.5749
143	I	A	0.0000
144	A	A	0.0000
145	A	A	0.0000
146	W	A	-0.8782
147	K	A	-2.4185
148	D	A	-2.5072
149	E	A	-3.2341
150	D	A	-3.1877
151	G	A	-2.3124
152	D	A	-1.8376
153	W	A	-1.1710
154	Y	A	-0.0422
155	E	A	0.0000
156	T	A	-0.1187
157	G	A	-0.1372
158	L	A	0.0874
159	H	A	-0.0890
160	I	A	0.1996
161	F	A	0.0000
162	F	A	-0.0227
163	G	A	-0.8028
164	A	A	-0.9756
165	Y	A	-0.2687
166	P	A	-0.6864
167	N	A	-0.8952
168	I	A	0.0000
169	Q	A	-1.8369
170	N	A	-2.2574
171	L	A	0.0000
172	F	A	0.0000
173	G	A	-2.1934
174	E	A	-1.8131
175	L	A	-1.1716
176	G	A	-1.5975
177	I	A	0.0000
178	N	A	-2.6758
179	D	A	-2.6130
180	R	A	-1.9548
181	L	A	0.0000
182	Q	A	-1.2409
183	W	A	-0.5472
184	K	A	0.0000
185	E	A	-2.1621
186	H	A	0.0000
187	S	A	0.0000
188	M	A	0.0000
189	I	A	0.0000
190	F	A	0.0000
191	A	A	0.0000
192	M	A	0.0000
193	P	A	-1.7511
194	N	A	-2.3708
195	K	A	-2.7184
196	P	A	-2.4490
197	G	A	-2.4481
198	E	A	-2.5668
199	F	A	-1.2320
200	S	A	0.0000
201	R	A	-1.1573
202	F	A	0.0000
203	D	A	-1.0302
204	F	A	0.0000
205	P	A	0.0000
206	E	A	-2.2485
207	T	A	-0.4002
208	L	A	0.0000
209	P	A	-1.0614
210	A	A	-0.9034
211	P	A	0.0150
212	L	A	1.1383
213	N	A	0.0000
214	G	A	0.9838
215	I	A	2.0353
216	W	A	0.0000
217	A	A	0.0000
218	I	A	0.9045
219	L	A	1.0262
220	R	A	-0.5877
221	N	A	0.0000
222	N	A	-1.9795
223	E	A	-2.5327
224	M	A	0.0000
225	L	A	0.0000
226	T	A	-0.0715
227	W	A	1.0285
228	P	A	0.3026
229	E	A	-0.2621
230	K	A	0.0000
231	V	A	0.7618
232	K	A	-0.3558
233	F	A	0.2029
234	A	A	0.5832
235	L	A	0.3623
236	G	A	0.0000
237	L	A	0.0000
238	L	A	1.1796
239	P	A	0.0000
240	A	A	0.0000
241	M	A	1.0685
242	V	A	1.8651
243	G	A	0.2058
244	G	A	-0.8120
245	Q	A	-1.9342
246	A	A	-1.1939
247	Y	A	0.0000
248	V	A	-1.0103
249	E	A	-2.3123
250	A	A	-1.0858
251	Q	A	0.0000
252	D	A	0.0000
253	G	A	-1.0856
254	F	A	-0.5587
255	T	A	-1.2059
256	V	A	0.0000
257	S	A	-2.4764
258	E	A	-2.5305
259	W	A	0.0000
260	M	A	0.0000
261	K	A	-3.1318
262	K	A	-2.2643
263	Q	A	-1.4489
264	G	A	-1.7136
265	V	A	0.0000
266	P	A	-2.1251
267	D	A	-3.1985
268	R	A	-2.6067
269	V	A	0.0000
270	N	A	0.0000
271	D	A	-2.8470
272	E	A	-1.6682
273	V	A	0.0000
274	F	A	0.0000
275	I	A	-0.5703
276	A	A	0.0000
277	M	A	0.0000
278	S	A	0.0000
279	K	A	0.0000
280	A	A	0.2467
281	L	A	0.3241
282	N	A	0.0000
283	F	A	0.0990
284	I	A	0.0000
285	N	A	-1.2019
286	P	A	0.0000
287	D	A	-2.6154
288	E	A	-1.8971
289	L	A	0.0000
290	S	A	0.0000
291	M	A	0.0000
292	Q	A	0.0000
293	C	A	0.0000
294	I	A	0.0000
295	L	A	0.0000
296	I	A	-0.2646
297	A	A	0.0000
298	L	A	0.0000
299	N	A	-0.5910
300	R	A	-1.1073
301	F	A	-0.5805
302	L	A	-0.6298
303	Q	A	-2.2815
304	E	A	-2.9431
305	K	A	-2.2729
306	H	A	-1.9931
307	G	A	0.0000
308	S	A	0.0000
309	K	A	-1.0263
310	M	A	0.0000
311	A	A	0.0000
312	F	A	0.0000
313	L	A	0.0000
314	D	A	0.0000
315	G	A	0.0000
316	N	A	0.0000
317	P	A	0.0000
318	P	A	0.0000
319	E	A	-1.1809
320	R	A	-1.0150
321	L	A	0.0000
322	C	A	0.0000
323	M	A	-0.6046
324	P	A	-0.7902
325	I	A	0.0000
326	V	A	0.0000
327	D	A	-2.3744
328	H	A	-1.7142
329	V	A	0.0000
330	R	A	-2.7296
331	S	A	-1.4054
332	L	A	-0.7038
333	G	A	-1.0413
334	G	A	0.0000
335	E	A	-1.8987
336	V	A	0.0000
337	R	A	-1.8143
338	L	A	-1.5180
339	N	A	-2.3705
340	S	A	0.0000
341	R	A	-2.0619
342	I	A	0.0000
343	Q	A	-2.4047
344	K	A	-2.5055
345	I	A	0.0000
346	E	A	-1.8695
347	L	A	-1.3196
348	N	A	-1.0556
349	P	A	-0.9874
350	D	A	-1.1650
351	G	A	-1.3410
352	T	A	0.0000
353	V	A	0.0000
354	K	A	-1.4261
355	H	A	-1.3454
356	F	A	0.0000
357	A	A	-2.1707
358	L	A	0.0000
359	T	A	-2.1943
360	D	A	-2.4569
361	G	A	-2.0017
362	T	A	-1.4618
363	Q	A	-1.8941
364	I	A	-0.5875
365	T	A	-0.6061
366	G	A	-0.5690
367	D	A	-0.5672
368	A	A	0.0000
369	Y	A	0.0000
370	V	A	0.0000
371	F	A	0.0000
372	A	A	0.0000
373	T	A	-0.0690
374	P	A	-0.3721
375	V	A	0.0000
376	D	A	-0.4364
377	I	A	0.4616
378	L	A	0.0000
379	K	A	-0.2001
380	L	A	1.2767
381	L	A	0.0000
382	V	A	0.0000
383	P	A	-1.8278
384	Q	A	-2.9471
385	E	A	-3.3549
386	W	A	0.0000
387	K	A	-3.5414
388	E	A	-3.7675
389	I	A	0.0000
390	S	A	-1.6850
391	Y	A	-1.3355
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537	Y	E	-0.5543
538	L	E	-0.2407
539	A	E	-0.0383
540	S	E	0.1254
541	M	E	0.0000
542	E	E	0.0000
543	G	E	0.0000
544	A	E	0.0000
545	V	E	0.0000
546	L	E	0.0000
547	S	E	0.0000
548	G	E	0.0000
549	K	E	-0.4991
550	L	E	-0.2880
551	C	E	0.0000
552	A	E	0.0000
553	Q	E	-1.3998
554	S	E	0.0000
555	V	E	0.0000
556	V	E	-0.8863
557	E	E	-2.1425
558	D	E	-1.7534
559	Y	E	-1.7398
560	K	E	-2.5432
561	M	E	-2.1347
562	L	E	0.0000
563	S	E	-2.1950
564	R	E	-2.7209
565	R	E	-2.7972
566	S	E	-1.0339
567	L	E	0.2619

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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
VK242C	-0.7729	-0.0068	View	CSV	PDB
VK242E	-0.7455	-0.0052	View	CSV	PDB
VR242E	-0.5743	-0.0055	View	CSV	PDB
VR242D	-0.5493	-0.0053	View	CSV	PDB
VK242D	-0.832	-0.0041	View	CSV	PDB
LK238C	-0.2675	-0.0067	View	CSV	PDB
VR242C	-0.6836	-0.0042	View	CSV	PDB
LR238C	-0.0423	-0.0038	View	CSV	PDB
IK215B	0.0921	-0.0059	View	CSV	PDB
IK215A	0.2725	-0.0061	View	CSV	PDB
IR215B	0.3984	-0.0056	View	CSV	PDB
IE215A	0.3701	-0.0051	View	CSV	PDB

Project name: PDS

Status: done

Started: 2024-12-27 07:14:52

Automated mutations analysis

Mutant

Energetic effect

Score comparison