Project name: 142a05e0d37bbd8 [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)	0.694649 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                                                       (00:00:21)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:23)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:46)

• Minimal score value: -2.8907
• Maximal score value: 3.4105
• Average score: 0.4249
• Total score value: 57.3608

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	0.0181
121	I	A	0.9857
122	D	A	-0.7695
123	V	A	0.4319
124	K	A	-0.6517
125	Y	A	0.4460
126	I	A	1.2732
127	G	A	0.4832
128	V	A	1.1765
129	K	A	-0.8213
130	S	A	0.2234
131	A	A	0.7800
132	Y	A	1.8800
133	V	A	2.4884
134	S	A	0.8996
135	Y	A	0.7887
136	D	A	-1.2389
137	V	A	-0.3103
138	Q	A	-2.0623
139	K	A	-2.8907
140	R	A	-2.2498
141	T	A	-0.1105
142	I	A	2.2923
143	Y	A	3.0850
144	L	A	2.6360
145	N	A	0.7901
146	I	A	1.6497
147	T	A	0.2716
148	N	A	-0.7150
149	T	A	-0.2846
150	L	A	0.4623
151	N	A	-0.3011
152	I	A	0.2096
153	T	A	-0.8998
154	N	A	-1.8015
155	N	A	-2.0986
156	N	A	-1.2462
157	Y	A	1.0777
158	Y	A	1.8880
159	S	A	0.9295
160	V	A	0.7771
161	E	A	-1.2245
162	V	A	0.1867
163	E	A	-1.5906
164	N	A	-1.1011
165	I	A	0.2598
166	T	A	0.1121
167	A	A	0.3709
168	Q	A	0.2345
169	V	A	1.4548
170	Q	A	0.7768
171	F	A	1.3280
172	S	A	-0.3644
173	K	A	-1.0068
174	T	A	0.5672
175	V	A	2.2253
176	I	A	2.2864
177	G	A	-0.1228
178	K	A	-1.7030
179	A	A	-1.3431
180	R	A	-2.2737
181	L	A	-0.2996
182	N	A	-1.3668
183	N	A	-0.9561
184	I	A	1.6037
185	S	A	1.7338	mutated: TS185A
186	I	A	3.4105
187	I	A	2.7945
188	G	A	1.2585
189	P	A	1.1951
190	L	A	1.9207
191	D	A	0.1654
192	M	A	0.3060
193	K	A	-1.1860
194	Q	A	-0.9803
195	I	A	0.5800
196	D	A	-0.5154
197	Y	A	0.8965
198	T	A	1.0363
199	V	A	2.2973
200	P	A	1.3605
201	T	A	1.8975
202	V	A	3.0936
203	I	A	2.6365
204	A	A	0.4086
205	E	A	-1.9829
206	E	A	-2.0974
207	M	A	0.0597
208	S	A	0.4781
209	Y	A	1.6998
210	M	A	2.0678
211	Y	A	1.8952
212	D	A	0.7985
213	F	A	1.9789
214	C	A	1.1606
215	T	A	1.5605
216	L	A	2.6434
217	I	A	2.9322
218	S	A	1.9328
219	I	A	2.4509
220	K	A	0.0552
221	V	A	0.8227
222	H	A	-0.3484
223	N	A	0.2285
224	I	A	1.9252
225	V	A	2.8463
226	L	A	2.4212
227	M	A	2.0808
228	M	A	0.9361
229	Q	A	0.5205
230	V	A	1.8495
231	T	A	1.1647
232	V	A	1.7233
233	T	A	0.7565
234	T	A	0.7696
235	T	A	0.8632
236	Y	A	1.6038
237	F	A	1.6964
238	G	A	-0.2219
239	H	A	-1.5498
240	S	A	-1.5856
241	E	A	-2.3431
242	Q	A	-1.1313
243	I	A	0.2917
244	S	A	-0.0207
245	Q	A	-1.9032
246	E	A	-2.3197
247	R	A	-2.3588
248	Y	A	-0.2888
249	Q	A	-0.3905
250	Y	A	1.1185
251	V	A	0.7164
252	D	A	-1.2134
253	C	A	-0.1675
254	G	A	-0.6198