Project name: 21cd8935590f243 [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)	0.59462 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                                                       (00:00:24)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:25)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.6843
• Maximal score value: 3.4386
• Average score: 0.407
• Total score value: 54.9484

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	0.5470
121	I	A	1.3543
122	D	A	-0.5538
123	V	A	0.8262
124	K	A	-0.4094
125	Y	A	1.2476
126	I	A	1.6063
127	G	A	0.5678
128	V	A	1.2336
129	K	A	-0.7030
130	S	A	0.0378
131	A	A	0.7660
132	Y	A	1.7486
133	V	A	1.8953
134	S	A	0.6556
135	Y	A	0.7390
136	D	A	-0.7684
137	V	A	-0.1497
138	Q	A	-2.2797
139	K	A	-2.6843
140	R	A	-2.2247
141	T	A	0.0497
142	I	A	2.4804
143	Y	A	2.9770
144	L	A	2.4690
145	N	A	0.5254
146	I	A	0.8690
147	T	A	-0.2783
148	N	A	-0.6648
149	T	A	-0.4653
150	L	A	0.4516
151	N	A	-0.3911
152	I	A	0.2905
153	T	A	-0.7536
154	N	A	-2.0460
155	N	A	-2.1054
156	N	A	-1.2359
157	Y	A	1.1205
158	Y	A	1.6752
159	S	A	1.2297
160	V	A	1.1693
161	E	A	-0.9310
162	V	A	0.1178
163	E	A	-1.6090
164	N	A	-1.1445
165	I	A	0.1034
166	T	A	-0.1332
167	A	A	0.2106
168	Q	A	0.1484
169	V	A	1.3927
170	Q	A	0.7650
171	F	A	1.3032
172	S	A	-0.3846
173	K	A	-0.9583
174	T	A	0.3745
175	V	A	2.1927
176	I	A	2.1858
177	G	A	-0.1191
178	K	A	-1.7095
179	A	A	-1.0840
180	R	A	-1.5859
181	L	A	0.1939
182	N	A	-0.9857
183	N	A	-0.4348
184	I	A	1.7034
185	S	A	1.7755	mutated: TS185A
186	I	A	3.4386
187	I	A	2.9386
188	G	A	1.8069
189	P	A	1.0834
190	L	A	1.0318
191	D	A	-0.8192
192	M	A	-0.0818
193	K	A	-1.7012
194	Q	A	-1.4284
195	I	A	0.5197
196	D	A	-0.7093
197	Y	A	1.3073
198	T	A	0.8630
199	V	A	2.4728
200	P	A	1.3733
201	T	A	1.6135
202	V	A	2.6688
203	I	A	2.4017
204	A	A	0.1916
205	E	A	-1.5487
206	E	A	-2.0977
207	M	A	0.0432
208	S	A	0.4262
209	Y	A	1.6550
210	M	A	1.9481
211	Y	A	1.7953
212	D	A	0.2609
213	F	A	1.7926
214	C	A	1.0513
215	T	A	1.2394
216	L	A	2.4959
217	I	A	2.9671
218	S	A	1.7793
219	I	A	1.8505
220	K	A	-0.5756
221	V	A	0.6495
222	H	A	-0.2792
223	N	A	-0.2119
224	I	A	1.8107
225	V	A	2.8112
226	L	A	3.0816
227	M	A	2.6569
228	M	A	1.2742
229	Q	A	0.1215
230	V	A	1.1281
231	T	A	1.1608
232	V	A	2.1927
233	T	A	0.6593
234	T	A	0.4916
235	T	A	0.9261
236	Y	A	1.6625
237	F	A	2.0057
238	G	A	-0.1232
239	H	A	-1.4445
240	S	A	-1.6314
241	E	A	-2.3346
242	Q	A	-0.9996
243	I	A	0.8523
244	S	A	-0.0557
245	Q	A	-1.5487
246	E	A	-2.5376
247	R	A	-2.3130
248	Y	A	-0.3743
249	Q	A	-0.6712
250	Y	A	0.7862
251	V	A	0.5075
252	D	A	-1.2266
253	C	A	-0.0595
254	G	A	-0.2792