Project name: 100839494b18e3d [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)	-0.128582 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                                                       (00:00:31)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:32)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -2.9912
• Maximal score value: 3.3073
• Average score: 0.4217
• Total score value: 56.9305

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	0.9131
121	I	A	1.6025
122	D	A	-0.4046
123	V	A	0.9651
124	K	A	-0.2031
125	Y	A	1.2200
126	I	A	1.4852
127	G	A	0.7327
128	V	A	1.2198
129	K	A	-0.4828
130	S	A	0.0035
131	A	A	0.6252
132	Y	A	1.6387
133	V	A	1.9935
134	S	A	0.9418
135	Y	A	0.7874
136	D	A	-1.0067
137	V	A	-0.5228
138	Q	A	-2.1931
139	K	A	-2.9099
140	R	A	-2.1987
141	T	A	0.1090
142	I	A	2.3687
143	Y	A	2.9942
144	L	A	2.5580
145	N	A	0.5051
146	I	A	1.5995
147	T	A	0.4815
148	N	A	-0.2062
149	T	A	0.3181
150	L	A	1.0742
151	N	A	-0.2591
152	I	A	0.4029
153	T	A	-0.8070
154	N	A	-1.8235
155	N	A	-2.1026
156	N	A	-1.2735
157	Y	A	1.0698
158	Y	A	2.0962
159	S	A	1.5636
160	V	A	1.7898
161	E	A	-0.8220
162	V	A	0.3935
163	E	A	-1.3596
164	N	A	-0.9564
165	I	A	1.0590
166	T	A	0.3175
167	A	A	0.5083
168	Q	A	-0.4011
169	V	A	0.9912
170	Q	A	-0.1236
171	F	A	1.3613
172	S	A	0.2421
173	K	A	-1.0051
174	T	A	0.4748
175	V	A	1.0875
176	I	A	1.7700
177	G	A	-0.1567
178	K	A	-1.5874
179	A	A	-1.1158
180	R	A	-2.0954
181	L	A	-0.7491
182	N	A	-1.1778
183	N	A	-0.0883
184	I	A	1.9664
185	S	A	1.9047	mutated: TS185A
186	I	A	2.8090
187	I	A	3.2768
188	G	A	1.4067
189	P	A	0.7726
190	L	A	0.8146
191	D	A	-1.2023
192	M	A	-0.5348
193	K	A	-2.1261
194	Q	A	-1.5927
195	I	A	0.2252
196	D	A	-0.9523
197	Y	A	1.0365
198	T	A	0.9723
199	V	A	1.9915
200	P	A	1.5006
201	T	A	1.7744
202	V	A	2.4329
203	I	A	1.8290
204	A	A	0.3545
205	E	A	-1.5670
206	E	A	-1.3749
207	M	A	0.1334
208	S	A	0.6957
209	Y	A	1.9086
210	M	A	1.8940
211	Y	A	1.6486
212	D	A	0.7068
213	F	A	2.0287
214	C	A	1.6490
215	T	A	1.6779
216	L	A	2.4388
217	I	A	2.2479
218	S	A	1.3511
219	I	A	1.1839
220	K	A	-0.6185
221	V	A	0.2890
222	H	A	-0.4077
223	N	A	-0.1971
224	I	A	2.4388
225	V	A	2.9433
226	L	A	3.3073
227	M	A	2.0165
228	M	A	1.0128
229	Q	A	-0.6634
230	V	A	0.6796
231	T	A	0.8374
232	V	A	1.9023
233	T	A	1.0767
234	T	A	0.6621
235	T	A	1.5098
236	Y	A	2.0144
237	F	A	2.3077
238	G	A	-0.0077
239	H	A	-1.2217
240	S	A	-1.6401
241	E	A	-2.3812
242	Q	A	-1.1396
243	I	A	0.6600
244	S	A	-0.4205
245	Q	A	-1.9583
246	E	A	-2.9912
247	R	A	-2.5334
248	Y	A	-0.2382
249	Q	A	-0.3761
250	Y	A	1.1269
251	V	A	1.2129
252	D	A	-0.6944
253	C	A	0.3550
254	G	A	-0.4473