Project name: cddec3ff241416c [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)	0.112171 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                                                       (00:00:27)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:31)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -2.6929
• Maximal score value: 3.6145
• Average score: 0.3897
• Total score value: 52.6104

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	0.6745
121	I	A	1.5957
122	D	A	-0.4305
123	V	A	0.9133
124	K	A	-0.4107
125	Y	A	0.8458
126	I	A	0.9571
127	G	A	0.3110
128	V	A	1.0897
129	K	A	-0.8308
130	S	A	-0.1357
131	A	A	0.6472
132	Y	A	1.6594
133	V	A	1.7271
134	S	A	0.5537
135	Y	A	0.6646
136	D	A	-0.8447
137	V	A	-0.1870
138	Q	A	-1.9821
139	K	A	-2.6929
140	R	A	-2.2645
141	T	A	-0.1080
142	I	A	2.2724
143	Y	A	2.8950
144	L	A	2.5130
145	N	A	0.6568
146	I	A	1.2068
147	T	A	-0.0983
148	N	A	-0.5846
149	T	A	-0.3559
150	L	A	0.4126
151	N	A	-0.3533
152	I	A	0.4385
153	T	A	-0.6749
154	N	A	-1.9961
155	N	A	-2.0913
156	N	A	-1.2216
157	Y	A	1.1168
158	Y	A	1.8855
159	S	A	1.2417
160	V	A	1.1799
161	E	A	-0.9768
162	V	A	0.1121
163	E	A	-1.6560
164	N	A	-1.1845
165	I	A	-0.0149
166	T	A	-0.2154
167	A	A	0.0865
168	Q	A	-0.1405
169	V	A	1.1060
170	Q	A	0.6368
171	F	A	1.2855
172	S	A	-0.3836
173	K	A	-0.9598
174	T	A	0.3736
175	V	A	2.2068
176	I	A	2.1923
177	G	A	-0.1187
178	K	A	-1.7217
179	A	A	-1.1020
180	R	A	-1.6210
181	L	A	0.1778
182	N	A	-0.9601
183	N	A	-0.6190
184	I	A	1.7337
185	T	A	1.8823
186	I	A	3.6145
187	I	A	3.0175
188	G	A	1.8299
189	P	A	1.0030
190	L	A	0.9817
191	D	A	-0.6791
192	M	A	-0.2771
193	K	A	-1.9996
194	K	A	-1.8979	mutated: QK194A
195	I	A	0.0212
196	D	A	-0.9365
197	Y	A	1.2215
198	T	A	0.9296
199	V	A	2.5243
200	P	A	1.3495
201	T	A	1.7846
202	V	A	2.8517
203	I	A	2.4221
204	A	A	0.1478
205	E	A	-1.6412
206	E	A	-2.0798
207	M	A	0.0140
208	S	A	0.2830
209	Y	A	1.5872
210	M	A	1.8775
211	Y	A	1.8221
212	D	A	0.4403
213	F	A	1.8674
214	C	A	1.2439
215	T	A	1.3413
216	L	A	2.8341
217	I	A	3.2074
218	S	A	1.9551
219	I	A	2.0035
220	K	A	-0.4058
221	V	A	0.6885
222	H	A	-0.2966
223	N	A	-0.2556
224	I	A	1.6184
225	V	A	2.7002
226	L	A	2.9836
227	M	A	2.4148
228	M	A	0.8751
229	Q	A	0.1024
230	V	A	1.1360
231	T	A	0.9624
232	V	A	2.2165
233	T	A	0.6637
234	T	A	0.4904
235	T	A	0.6722
236	Y	A	1.3789
237	F	A	1.2690
238	G	A	-0.4838
239	H	A	-1.5768
240	S	A	-1.5544
241	E	A	-2.0133
242	Q	A	-0.3717
243	I	A	1.0537
244	S	A	-0.0159
245	Q	A	-1.5220
246	E	A	-2.3203
247	R	A	-2.2800
248	Y	A	-0.3750
249	Q	A	-0.5609
250	Y	A	1.1405
251	V	A	0.8918
252	D	A	-1.1231
253	C	A	-0.0815
254	G	A	-0.3901