Project name: 3acbb67ae461ae9 [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)	0.192236 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                                                       (00:00:20)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:22)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.6219
• Maximal score value: 3.507
• Average score: 0.491
• Total score value: 66.2828

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	0.4410
121	I	A	1.4397
122	D	A	-0.5506
123	V	A	0.9211
124	K	A	-0.2649
125	Y	A	1.1031
126	I	A	1.8209
127	G	A	0.6861
128	V	A	1.2729
129	K	A	-0.8625
130	S	A	0.0151
131	A	A	0.5647
132	Y	A	1.6766
133	V	A	1.7723
134	S	A	0.6464
135	Y	A	0.8094
136	D	A	-0.7315
137	V	A	0.4020
138	Q	A	-1.8381
139	K	A	-2.6219
140	R	A	-2.3456
141	T	A	0.1000
142	I	A	2.4441
143	Y	A	3.4343
144	L	A	2.7043
145	N	A	0.8671
146	I	A	1.7350
147	T	A	0.2152
148	N	A	-0.3324
149	T	A	-0.0261
150	L	A	0.8255
151	N	A	-0.2168
152	I	A	0.4402
153	T	A	-0.8954
154	N	A	-1.9406
155	N	A	-2.0969
156	N	A	-1.2575
157	Y	A	1.0306
158	Y	A	1.9341
159	S	A	1.2826
160	V	A	1.5386
161	E	A	-0.9690
162	V	A	0.2417
163	E	A	-1.5616
164	N	A	-1.2156
165	I	A	0.2523
166	T	A	0.1926
167	A	A	0.1532
168	Q	A	0.1596
169	V	A	1.3288
170	Q	A	0.7413
171	F	A	1.2179
172	S	A	-0.1986
173	K	A	-0.9862
174	T	A	0.3880
175	V	A	2.2233
176	I	A	2.1098
177	G	A	-0.1402
178	K	A	-1.7343
179	A	A	-1.1619
180	R	A	-1.7583
181	L	A	-0.0275
182	N	A	-1.0830
183	N	A	-0.8025
184	I	A	1.8919
185	S	A	1.8477	mutated: TS185A
186	I	A	3.5070
187	I	A	3.1836
188	G	A	1.7865
189	P	A	1.3902
190	L	A	1.2394
191	D	A	-0.7118
192	M	A	-0.0949
193	K	A	-1.8040
194	Q	A	-1.2711
195	I	A	0.5405
196	D	A	-0.5219
197	Y	A	1.1509
198	T	A	0.9949
199	V	A	1.8698
200	P	A	1.2400
201	T	A	1.7295
202	V	A	2.6704
203	I	A	2.5493
204	A	A	0.3526
205	E	A	-1.2082
206	E	A	-1.8646
207	M	A	-0.0115
208	S	A	0.2460
209	Y	A	1.5833
210	M	A	1.8165
211	Y	A	1.8236
212	D	A	0.4252
213	F	A	1.9512
214	C	A	1.3382
215	T	A	1.5751
216	L	A	2.6673
217	I	A	2.9771
218	S	A	1.4994
219	I	A	1.3121
220	K	A	-0.5208
221	V	A	0.5520
222	H	A	-0.1521
223	N	A	0.0903
224	I	A	2.0964
225	V	A	3.0912
226	L	A	3.3972
227	M	A	2.4646
228	M	A	1.0565
229	Q	A	0.5464
230	V	A	1.9752
231	T	A	1.3823
232	V	A	2.3847
233	T	A	0.9326
234	T	A	0.8619
235	T	A	0.9341
236	Y	A	1.6377
237	F	A	1.9617
238	G	A	-0.1323
239	H	A	-1.3733
240	S	A	-1.4598
241	E	A	-2.1988
242	Q	A	-0.7650
243	I	A	1.0371
244	S	A	0.1323
245	Q	A	-1.2899
246	E	A	-2.4384
247	R	A	-2.4141
248	Y	A	-0.5284
249	Q	A	-0.6830
250	Y	A	1.1074
251	V	A	0.7089
252	D	A	-1.0942
253	C	A	0.2624
254	G	A	-0.4631