Project name: 7e8ac4e55ca75ed [mutate: QK194A]

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	QK194A
Energy difference between WT (input) and mutated protein (by FoldX)	0.120266 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                                        (00:00:34)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -2.7931
• Maximal score value: 3.5429
• Average score: 0.4158
• Total score value: 56.1373

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	0.4400
121	I	A	1.4927
122	D	A	-0.4932
123	V	A	0.9584
124	K	A	-0.5011
125	Y	A	0.9323
126	I	A	0.7560
127	G	A	0.3351
128	V	A	0.9972
129	K	A	-0.8794
130	S	A	-0.1913
131	A	A	0.3672
132	Y	A	1.5996
133	V	A	1.5444
134	S	A	0.4679
135	Y	A	0.5864
136	D	A	-0.9381
137	V	A	-0.4536
138	Q	A	-2.2299
139	K	A	-2.7931
140	R	A	-2.2771
141	T	A	-0.0173
142	I	A	2.3098
143	Y	A	3.0473
144	L	A	2.6429
145	N	A	0.8341
146	I	A	1.5064
147	T	A	0.0333
148	N	A	-0.5727
149	T	A	-0.5850
150	L	A	0.1695
151	N	A	-0.5034
152	I	A	0.2153
153	T	A	-0.7411
154	N	A	-2.0340
155	N	A	-2.0814
156	N	A	-1.2340
157	Y	A	1.1542
158	Y	A	1.9879
159	S	A	1.4490
160	V	A	1.6033
161	E	A	-0.7226
162	V	A	0.1265
163	E	A	-1.4049
164	N	A	-0.7999
165	I	A	0.6580
166	T	A	0.3876
167	A	A	0.3398
168	Q	A	0.1081
169	V	A	1.1070
170	Q	A	0.7253
171	F	A	1.2824
172	S	A	-0.3849
173	K	A	-0.9440
174	T	A	0.3730
175	V	A	2.0229
176	I	A	2.0062
177	G	A	-0.1056
178	K	A	-1.4772
179	A	A	-0.9862
180	R	A	-1.5768
181	L	A	0.0061
182	N	A	-0.9294
183	N	A	-0.4086
184	I	A	1.7485
185	T	A	1.8944
186	I	A	3.5429
187	I	A	3.0472
188	G	A	1.9821
189	P	A	1.0741
190	L	A	1.0576
191	D	A	-0.6538
192	M	A	-0.2702
193	K	A	-1.9521
194	K	A	-1.7414	mutated: QK194A
195	I	A	0.3216
196	D	A	-0.7439
197	Y	A	1.4268
198	T	A	0.9037
199	V	A	2.4571
200	P	A	1.3734
201	T	A	1.6153
202	V	A	2.8532
203	I	A	2.4478
204	A	A	0.1349
205	E	A	-1.7341
206	E	A	-2.1172
207	M	A	-0.0084
208	S	A	0.3553
209	Y	A	1.6342
210	M	A	1.9280
211	Y	A	1.8403
212	D	A	0.4078
213	F	A	1.8440
214	C	A	1.0648
215	T	A	1.2933
216	L	A	2.2460
217	I	A	2.8071
218	S	A	1.7503
219	I	A	1.6784
220	K	A	-0.4200
221	V	A	0.6254
222	H	A	-0.4136
223	N	A	-0.3857
224	I	A	1.4578
225	V	A	2.6596
226	L	A	2.7716
227	M	A	2.5819
228	M	A	1.2906
229	Q	A	0.3423
230	V	A	1.5187
231	T	A	1.4263
232	V	A	2.3810
233	T	A	0.7326
234	T	A	0.5427
235	T	A	0.9253
236	Y	A	1.6791
237	F	A	1.8050
238	G	A	0.0447
239	H	A	-1.4318
240	S	A	-1.7229
241	E	A	-2.2042
242	Q	A	-0.9226
243	I	A	0.9674
244	S	A	0.0140
245	Q	A	-1.2192
246	E	A	-1.7915
247	R	A	-1.9579
248	Y	A	-0.2456
249	Q	A	-0.5738
250	Y	A	0.8374
251	V	A	0.6096
252	D	A	-1.2032
253	C	A	-0.0471
254	G	A	-0.3529