Project name: f968a6552e9f834 [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)	0.254591 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                                                       (00:00:25)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:30)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.9636
• Maximal score value: 3.0628
• Average score: 0.3686
• Total score value: 49.7639

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	0.7925
121	I	A	1.3817
122	D	A	-0.4576
123	V	A	0.9593
124	K	A	-0.1043
125	Y	A	1.5934
126	I	A	1.8695
127	G	A	0.9244
128	V	A	1.2990
129	K	A	-0.6534
130	S	A	-0.1931
131	A	A	0.5814
132	Y	A	1.6811
133	V	A	1.8764
134	S	A	0.6834
135	Y	A	0.6403
136	D	A	-1.0777
137	V	A	-0.4441
138	Q	A	-2.1973
139	K	A	-2.8199
140	R	A	-2.3359
141	T	A	-0.0897
142	I	A	2.4046
143	Y	A	3.0415
144	L	A	2.5570
145	N	A	0.4370
146	I	A	1.4136
147	T	A	-0.0162
148	N	A	-0.7115
149	T	A	0.0336
150	L	A	0.9836
151	N	A	-0.1350
152	I	A	0.4424
153	T	A	-0.5695
154	N	A	-2.0542
155	N	A	-1.9538
156	N	A	-1.2117
157	Y	A	1.1478
158	Y	A	1.7754
159	S	A	1.3535
160	V	A	1.4981
161	E	A	-0.9233
162	V	A	0.3609
163	E	A	-1.4236
164	N	A	-1.0133
165	I	A	1.1918
166	T	A	0.1958
167	A	A	0.3984
168	Q	A	-0.4425
169	V	A	0.8163
170	Q	A	-0.2043
171	F	A	1.3848
172	S	A	0.4561
173	K	A	-0.8357
174	T	A	0.2316
175	V	A	1.2050
176	I	A	1.5109
177	G	A	-0.2723
178	K	A	-1.6294
179	A	A	-0.9044
180	R	A	-1.7439
181	L	A	-0.5874
182	N	A	-1.3429
183	N	A	-0.4100
184	I	A	1.3747
185	T	A	1.7259
186	I	A	2.6755
187	I	A	3.0628
188	G	A	1.4496
189	P	A	0.6482
190	L	A	1.0751
191	D	A	-1.1624
192	M	A	-0.6663
193	K	A	-2.6033
194	K	A	-2.1620	mutated: QK194A
195	I	A	-0.4237
196	D	A	-1.5495
197	Y	A	0.8163
198	T	A	0.9777
199	V	A	1.8926
200	P	A	1.0796
201	T	A	1.5380
202	V	A	2.3919
203	I	A	1.7822
204	A	A	0.0834
205	E	A	-1.6942
206	E	A	-1.8098
207	M	A	-0.0436
208	S	A	0.7976
209	Y	A	2.0625
210	M	A	1.9952
211	Y	A	1.7170
212	D	A	0.6941
213	F	A	2.0406
214	C	A	1.2957
215	T	A	1.5054
216	L	A	2.1078
217	I	A	2.0092
218	S	A	1.4250
219	I	A	1.5299
220	K	A	-0.3816
221	V	A	0.8676
222	H	A	-0.2369
223	N	A	-0.1182
224	I	A	2.5506
225	V	A	2.8531
226	L	A	2.8423
227	M	A	2.0198
228	M	A	1.3431
229	Q	A	-0.3651
230	V	A	0.8854
231	T	A	1.1774
232	V	A	1.8482
233	T	A	1.1475
234	T	A	0.8401
235	T	A	1.2229
236	Y	A	1.8935
237	F	A	2.0040
238	G	A	0.1183
239	H	A	-1.3593
240	S	A	-1.6235
241	E	A	-2.3614
242	Q	A	-1.1347
243	I	A	0.7377
244	S	A	-0.2027
245	Q	A	-1.9452
246	E	A	-2.9636
247	R	A	-2.5226
248	Y	A	-0.5238
249	Q	A	-0.2621
250	Y	A	1.1647
251	V	A	1.1195
252	D	A	-0.5278
253	C	A	0.1129
254	G	A	-0.4591