Project name: d06ccd830d70178 [mutate: TS185A]

Chain sequence(s)	A: SIDVKYIGVKSAYVSYDVQKRTIYLNITNTLNITNNNYYSVEVENITAQVQFSKTVIGKARLNNITIIGPLDMKQIDYTVPTVIAEEMSYMYDFCTLISIKVHNIVLMMQVTVTTTYFGHSEQISQERYQYVDCG
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	TS185A
Energy difference between WT (input) and mutated protein (by FoldX)	0.372854 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:26)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.6984
• Maximal score value: 3.2351
• Average score: 0.4185
• Total score value: 56.5006

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
120	S	A	-0.1876
121	I	A	0.8049
122	D	A	-0.8505
123	V	A	0.5952
124	K	A	-0.7029
125	Y	A	0.5357
126	I	A	0.9797
127	G	A	0.3862
128	V	A	1.1451
129	K	A	-0.7762
130	S	A	-0.1621
131	A	A	0.4909
132	Y	A	1.5760
133	V	A	1.3251
134	S	A	0.3263
135	Y	A	0.2891
136	D	A	-1.0088
137	V	A	-0.1556
138	Q	A	-1.9791
139	K	A	-2.6984
140	R	A	-2.2422
141	T	A	-0.1061
142	I	A	2.4058
143	Y	A	3.0685
144	L	A	2.5158
145	N	A	0.3494
146	I	A	1.3319
147	T	A	0.0080
148	N	A	-0.5583
149	T	A	-0.3988
150	L	A	0.5356
151	N	A	-0.3225
152	I	A	0.4367
153	T	A	-0.6370
154	N	A	-1.9876
155	N	A	-1.9449
156	N	A	-1.1851
157	Y	A	1.1433
158	Y	A	1.6431
159	S	A	1.2548
160	V	A	1.2752
161	E	A	-0.9995
162	V	A	0.1115
163	E	A	-1.3660
164	N	A	-0.8397
165	I	A	1.0579
166	T	A	0.4174
167	A	A	0.2842
168	Q	A	-0.8719
169	V	A	0.1822
170	Q	A	-0.4793
171	F	A	1.1068
172	S	A	-0.3724
173	K	A	-1.2939
174	T	A	0.3567
175	V	A	2.0282
176	I	A	2.1055
177	G	A	-0.0115
178	K	A	-1.4332
179	A	A	-0.8407
180	R	A	-1.8007
181	L	A	0.0812
182	N	A	-1.2147
183	N	A	-0.8280
184	I	A	1.7626
185	S	A	1.8833	mutated: TS185A
186	I	A	3.2351
187	I	A	2.9221
188	G	A	1.3366
189	P	A	0.9485
190	L	A	1.7260
191	D	A	0.3404
192	M	A	0.4005
193	K	A	-1.1337
194	Q	A	-0.9357
195	I	A	0.6708
196	D	A	-0.4672
197	Y	A	0.9165
198	T	A	0.8218
199	V	A	2.0496
200	P	A	1.3488
201	T	A	1.8636
202	V	A	3.0648
203	I	A	2.6254
204	A	A	0.3813
205	E	A	-1.9827
206	E	A	-2.0914
207	M	A	0.0858
208	S	A	0.4462
209	Y	A	1.6919
210	M	A	2.0686
211	Y	A	1.9071
212	D	A	0.8061
213	F	A	1.8758
214	C	A	1.2083
215	T	A	1.6254
216	L	A	2.5932
217	I	A	2.8263
218	S	A	2.0867
219	I	A	2.2735
220	K	A	0.0789
221	V	A	0.8751
222	H	A	-0.1382
223	N	A	-0.0131
224	I	A	1.9927
225	V	A	2.7765
226	L	A	2.7390
227	M	A	2.4978
228	M	A	1.1277
229	Q	A	1.3076
230	V	A	2.2177
231	T	A	1.4940
232	V	A	2.1415
233	T	A	0.9038
234	T	A	0.7323
235	T	A	1.0543
236	Y	A	1.9334
237	F	A	2.2523
238	G	A	0.0306
239	H	A	-1.7363
240	S	A	-1.5448
241	E	A	-2.3079
242	Q	A	-1.0014
243	I	A	0.5037
244	S	A	-0.0671
245	Q	A	-1.5635
246	E	A	-2.4838
247	R	A	-2.5706
248	Y	A	-0.7151
249	Q	A	-0.5996
250	Y	A	0.7564
251	V	A	0.7200
252	D	A	-1.1977
253	C	A	-0.1537
254	G	A	-0.6225