Project name: 525b08340674517 [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)	0.351537 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                                                       (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:20)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)

• Minimal score value: -2.6304
• Maximal score value: 3.5102
• Average score: 0.464
• Total score value: 62.6424

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	0.7129
121	I	A	1.6203
122	D	A	-0.4390
123	V	A	1.0780
124	K	A	-0.3842
125	Y	A	1.0203
126	I	A	1.1694
127	G	A	0.3492
128	V	A	1.0873
129	K	A	-1.0079
130	S	A	-0.1117
131	A	A	0.4177
132	Y	A	1.7606
133	V	A	1.9434
134	S	A	0.7700
135	Y	A	0.9331
136	D	A	-0.6621
137	V	A	0.3826
138	Q	A	-1.8454
139	K	A	-2.6304
140	R	A	-2.2135
141	T	A	0.0863
142	I	A	2.4013
143	Y	A	3.1340
144	L	A	2.6502
145	N	A	0.8526
146	I	A	1.7369
147	T	A	0.3242
148	N	A	-0.0691
149	T	A	0.0468
150	L	A	0.8022
151	N	A	-0.1070
152	I	A	0.5441
153	T	A	-0.8379
154	N	A	-1.8050
155	N	A	-2.0948
156	N	A	-1.2766
157	Y	A	1.0136
158	Y	A	1.9097
159	S	A	1.3298
160	V	A	1.3453
161	E	A	-1.0025
162	V	A	0.1785
163	E	A	-1.5001
164	N	A	-1.2085
165	I	A	0.4145
166	T	A	0.0209
167	A	A	0.1420
168	Q	A	0.1652
169	V	A	1.3790
170	Q	A	0.8219
171	F	A	1.2620
172	S	A	-0.1787
173	K	A	-0.7442
174	T	A	0.3930
175	V	A	2.1946
176	I	A	1.9169
177	G	A	-0.1726
178	K	A	-1.7837
179	A	A	-1.0044
180	R	A	-1.6684
181	L	A	-0.2017
182	N	A	-1.1198
183	N	A	-0.6485
184	I	A	1.8853
185	S	A	1.8323	mutated: TS185A
186	I	A	3.5102
187	I	A	3.2584
188	G	A	1.7711
189	P	A	1.4178
190	L	A	1.3438
191	D	A	0.0308
192	M	A	0.0559
193	K	A	-1.6871
194	Q	A	-1.4391
195	I	A	-0.0086
196	D	A	-0.8025
197	Y	A	1.0756
198	T	A	1.0029
199	V	A	2.3543
200	P	A	1.3409
201	T	A	1.7802
202	V	A	2.8509
203	I	A	2.4239
204	A	A	0.1313
205	E	A	-1.6116
206	E	A	-2.0721
207	M	A	-0.1104
208	S	A	0.0799
209	Y	A	1.6726
210	M	A	1.5560
211	Y	A	1.6882
212	D	A	0.2365
213	F	A	1.7508
214	C	A	1.1042
215	T	A	1.4826
216	L	A	2.4232
217	I	A	3.1266
218	S	A	1.9705
219	I	A	2.1791
220	K	A	-0.0428
221	V	A	0.7656
222	H	A	-0.2185
223	N	A	-0.1195
224	I	A	1.6142
225	V	A	2.7345
226	L	A	2.8225
227	M	A	2.3044
228	M	A	0.7874
229	Q	A	0.3232
230	V	A	1.5402
231	T	A	1.1514
232	V	A	2.2756
233	T	A	0.7576
234	T	A	0.4815
235	T	A	0.6610
236	Y	A	1.3293
237	F	A	1.8452
238	G	A	0.1927
239	H	A	-1.4209
240	S	A	-1.6313
241	E	A	-2.2186
242	Q	A	-0.7989
243	I	A	0.8340
244	S	A	-0.0081
245	Q	A	-1.3328
246	E	A	-2.2729
247	R	A	-2.2103
248	Y	A	-0.3528
249	Q	A	-0.6057
250	Y	A	0.9698
251	V	A	0.7986
252	D	A	-1.1021
253	C	A	0.1168
254	G	A	-0.5249