Project name: 432c2b70099ce14 [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)	0.413428 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                                                       (00:00:26)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.7127
• Maximal score value: 3.5532
• Average score: 0.4029
• Total score value: 54.386

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	0.5720
121	I	A	1.7567
122	D	A	-0.4233
123	V	A	0.8837
124	K	A	-0.5936
125	Y	A	1.0208
126	I	A	1.0145
127	G	A	0.3680
128	V	A	1.1126
129	K	A	-0.8094
130	S	A	-0.1545
131	A	A	0.5013
132	Y	A	1.5772
133	V	A	1.5923
134	S	A	0.4857
135	Y	A	0.5954
136	D	A	-0.8978
137	V	A	-0.2779
138	Q	A	-2.1565
139	K	A	-2.7127
140	R	A	-2.2655
141	T	A	-0.0815
142	I	A	2.2960
143	Y	A	3.0146
144	L	A	2.4839
145	N	A	0.5805
146	I	A	1.0494
147	T	A	-0.1822
148	N	A	-0.6112
149	T	A	-0.3624
150	L	A	0.4839
151	N	A	-0.1900
152	I	A	0.7432
153	T	A	-0.5165
154	N	A	-1.9045
155	N	A	-2.0487
156	N	A	-1.2288
157	Y	A	1.1188
158	Y	A	1.9054
159	S	A	1.2727
160	V	A	1.2386
161	E	A	-0.9139
162	V	A	0.1523
163	E	A	-1.5881
164	N	A	-1.1091
165	I	A	0.1720
166	T	A	-0.1197
167	A	A	0.1317
168	Q	A	0.1200
169	V	A	1.1095
170	Q	A	0.6850
171	F	A	1.1892
172	S	A	-0.1992
173	K	A	-0.9717
174	T	A	0.3681
175	V	A	2.2089
176	I	A	2.1985
177	G	A	-0.1062
178	K	A	-1.7039
179	A	A	-0.9815
180	R	A	-1.5673
181	L	A	0.2360
182	N	A	-0.9537
183	N	A	-0.6447
184	I	A	1.6629
185	S	A	1.7409	mutated: TS185A
186	I	A	3.5532
187	I	A	2.9881
188	G	A	1.8320
189	P	A	0.9988
190	L	A	0.9916
191	D	A	-0.8396
192	M	A	-0.1302
193	K	A	-1.7265
194	Q	A	-1.5034
195	I	A	0.3924
196	D	A	-0.5812
197	Y	A	1.1834
198	T	A	0.9524
199	V	A	2.1454
200	P	A	1.2708
201	T	A	1.7941
202	V	A	2.6503
203	I	A	2.4222
204	A	A	0.1710
205	E	A	-1.5163
206	E	A	-2.0792
207	M	A	-0.0827
208	S	A	0.1397
209	Y	A	1.5721
210	M	A	1.8037
211	Y	A	1.8623
212	D	A	0.4504
213	F	A	1.9199
214	C	A	1.1417
215	T	A	1.3552
216	L	A	2.4900
217	I	A	3.0206
218	S	A	1.9884
219	I	A	1.8329
220	K	A	-0.4672
221	V	A	0.6796
222	H	A	-0.2710
223	N	A	-0.2967
224	I	A	1.9062
225	V	A	2.9453
226	L	A	3.3558
227	M	A	2.3938
228	M	A	0.9229
229	Q	A	0.5323
230	V	A	1.4427
231	T	A	1.1674
232	V	A	2.3458
233	T	A	0.8896
234	T	A	0.8422
235	T	A	0.8659
236	Y	A	1.6936
237	F	A	1.8324
238	G	A	-0.1325
239	H	A	-1.4199
240	S	A	-1.5639
241	E	A	-2.2939
242	Q	A	-0.8726
243	I	A	0.7063
244	S	A	-0.2087
245	Q	A	-1.6037
246	E	A	-2.7124
247	R	A	-2.4104
248	Y	A	-0.4253
249	Q	A	-0.6817
250	Y	A	0.8422
251	V	A	0.5966
252	D	A	-1.2599
253	C	A	-0.1556
254	G	A	-0.6289