Project name: query_structure

Chain sequence(s)	A: PTYCVCHQVSFGDMIACDNENCQGGEWFHYTCVGLTPETRFKGKWYCPTCRLL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -3.2413
• Maximal score value: 1.9535
• Average score: -0.566
• Total score value: -29.9968

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
206	P	A	-0.1453
207	T	A	-0.0478
208	Y	A	0.2205
209	C	A	0.0000
210	V	A	1.2402
211	C	A	0.6490
212	H	A	-0.4938
213	Q	A	-0.1227
214	V	A	1.0855
215	S	A	0.7957
216	F	A	1.2763
217	G	A	-0.4270
218	D	A	-1.2828
219	M	A	-0.3720
220	I	A	0.0000
221	A	A	-0.6083
222	C	A	0.0000
223	D	A	-2.4223
224	N	A	-2.5363
225	E	A	-3.2413
226	N	A	-2.9155
227	C	A	-2.3384
228	Q	A	-2.1618
229	G	A	-0.8983
230	G	A	-0.7854
231	E	A	-1.8835
232	W	A	0.0196
233	F	A	0.0000
234	H	A	0.0000
235	Y	A	0.0000
236	T	A	-0.1222
237	C	A	0.7896
238	V	A	0.4546
239	G	A	-0.2080
240	L	A	-0.3678
241	T	A	-0.8660
242	P	A	-1.7388
243	E	A	-2.4853
244	T	A	-1.9496
245	R	A	-2.3062
246	F	A	-1.1642
247	K	A	-2.2036
248	G	A	-2.1413
249	K	A	-2.2075
250	W	A	0.0000
251	Y	A	-0.4308
252	C	A	0.0000
253	P	A	0.3888
254	T	A	0.3749
255	C	A	0.0000
256	R	A	-0.0866
257	L	A	1.7154
258	L	A	1.9535