Project name: eab62ec282f378a [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)	0.358895 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                                        (00:00:28)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -2.679
• Maximal score value: 3.5694
• Average score: 0.3972
• Total score value: 53.6231

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	0.5081
121	I	A	1.6448
122	D	A	-0.4216
123	V	A	0.9400
124	K	A	-0.3654
125	Y	A	1.1139
126	I	A	1.1335
127	G	A	0.5412
128	V	A	1.1943
129	K	A	-0.6371
130	S	A	-0.1442
131	A	A	0.2502
132	Y	A	1.3656
133	V	A	1.4806
134	S	A	0.4083
135	Y	A	0.5926
136	D	A	-0.8782
137	V	A	-0.3064
138	Q	A	-2.1328
139	K	A	-2.6790
140	R	A	-2.2111
141	T	A	-0.0257
142	I	A	2.2543
143	Y	A	2.9613
144	L	A	2.4638
145	N	A	0.4328
146	I	A	0.9558
147	T	A	-0.2284
148	N	A	-0.7812
149	T	A	-0.4045
150	L	A	0.3171
151	N	A	-0.3336
152	I	A	0.4925
153	T	A	-0.6310
154	N	A	-2.0004
155	N	A	-2.1084
156	N	A	-1.2469
157	Y	A	1.1878
158	Y	A	2.0022
159	S	A	1.3582
160	V	A	1.6135
161	E	A	-0.9229
162	V	A	0.2438
163	E	A	-1.5779
164	N	A	-1.3135
165	I	A	0.1429
166	T	A	-0.0883
167	A	A	0.2511
168	Q	A	0.1471
169	V	A	1.3067
170	Q	A	0.7259
171	F	A	1.1809
172	S	A	-0.3743
173	K	A	-0.9299
174	T	A	0.5646
175	V	A	2.2059
176	I	A	2.1644
177	G	A	-0.1174
178	K	A	-1.8607
179	A	A	-1.0317
180	R	A	-1.7106
181	L	A	0.0850
182	N	A	-1.1002
183	N	A	-0.7119
184	I	A	1.6002
185	S	A	1.7470	mutated: TS185A
186	I	A	3.5694
187	I	A	2.9853
188	G	A	1.8432
189	P	A	0.9948
190	L	A	0.9887
191	D	A	-0.6597
192	M	A	-0.1827
193	K	A	-1.7610
194	Q	A	-1.4124
195	I	A	0.2569
196	D	A	-0.6456
197	Y	A	1.3805
198	T	A	0.9172
199	V	A	2.0841
200	P	A	1.3819
201	T	A	1.6313
202	V	A	2.8571
203	I	A	2.4379
204	A	A	0.1754
205	E	A	-1.7019
206	E	A	-2.0922
207	M	A	-0.0018
208	S	A	0.3155
209	Y	A	1.6275
210	M	A	1.9207
211	Y	A	1.8524
212	D	A	0.4487
213	F	A	1.9203
214	C	A	1.3765
215	T	A	1.4344
216	L	A	2.5056
217	I	A	2.7897
218	S	A	1.8311
219	I	A	1.8069
220	K	A	-0.4683
221	V	A	0.7194
222	H	A	-0.1863
223	N	A	0.0370
224	I	A	2.0747
225	V	A	3.0182
226	L	A	2.9651
227	M	A	2.5312
228	M	A	1.2947
229	Q	A	0.0694
230	V	A	1.0742
231	T	A	1.1742
232	V	A	2.2461
233	T	A	0.6422
234	T	A	0.4567
235	T	A	0.7445
236	Y	A	1.3667
237	F	A	1.4238
238	G	A	-0.4617
239	H	A	-1.6093
240	S	A	-1.8214
241	E	A	-2.3118
242	Q	A	-0.9738
243	I	A	0.8270
244	S	A	-0.0989
245	Q	A	-1.6309
246	E	A	-2.5677
247	R	A	-2.4118
248	Y	A	-0.4252
249	Q	A	-0.5733
250	Y	A	0.9946
251	V	A	1.2010
252	D	A	-0.8752
253	C	A	0.1706
254	G	A	-0.1710