Project name: ce_duf

Chain sequence(s)	A: TPLPPYPATQKVLQDPQSGQYFVFDVPLQVKIKTFYDPETGKYVKVSVPSSEEASSEPP
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -2.9191
• Maximal score value: 2.8132
• Average score: -0.2259
• Total score value: -13.3287

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
1247	T	A	0.2238
1248	P	A	0.3593
1249	L	A	1.3551
1250	P	A	0.4913
1251	P	A	0.3403
1252	Y	A	1.0758
1253	P	A	0.1274
1254	A	A	0.0881
1255	T	A	-0.3136
1256	Q	A	-1.0271
1257	K	A	-0.8741
1258	V	A	1.3053
1259	L	A	1.7805
1260	Q	A	-0.0186
1261	D	A	-0.8444
1262	P	A	-1.2408
1263	Q	A	-1.9042
1264	S	A	-1.4067
1265	G	A	-1.1723
1266	Q	A	-0.6726
1267	Y	A	1.6623
1268	F	A	2.3753
1269	V	A	2.8132
1270	F	A	2.3756
1271	D	A	-0.2314
1272	V	A	0.8494
1273	P	A	0.3172
1274	L	A	0.4437
1275	Q	A	-0.5780
1276	V	A	-0.1946
1277	K	A	-1.0210
1278	I	A	0.0531
1279	K	A	-0.3986
1280	T	A	0.2507
1281	F	A	1.6168
1282	Y	A	1.3136
1283	D	A	-0.3372
1284	P	A	-1.2311
1285	E	A	-2.3369
1286	T	A	-1.3893
1287	G	A	-1.2888
1288	K	A	-1.1042
1289	Y	A	1.1473
1290	V	A	0.9570
1291	K	A	-0.2097
1292	V	A	0.4554
1293	S	A	-0.0495
1294	V	A	0.2629
1295	P	A	-0.2835
1296	S	A	-1.2346
1297	S	A	-1.9085
1298	E	A	-2.9191
1299	E	A	-2.8250
1300	A	A	-1.4227
1301	S	A	-1.3220
1302	S	A	-1.2674
1303	E	A	-2.1565
1304	P	A	-1.3195
1305	P	A	-0.8656