Project name: b171958c84178ae [mutate: KR347A]

Chain sequence(s)	A: PATLYAVVENVPPLRWKEFVKRLGLSDHEIDRLELQNGRCLREAQYSMLATWRRRTPRREATLELLGRVLRDMDLLGCLEDIEEALC
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	KR347A
Energy difference between WT (input) and mutated protein (by FoldX)	0.0811723 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                                                       (00:01:45)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:39)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:28)

• Minimal score value: -4.0421
• Maximal score value: 0.5171
• Average score: -1.546
• Total score value: -134.5027

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
327	P	A	0.1189
328	A	A	0.5171
329	T	A	-0.1210
330	L	A	0.0000
331	Y	A	0.3379
332	A	A	0.0000
333	V	A	0.0000
334	V	A	0.0000
335	E	A	-2.0135
336	N	A	-1.4489
337	V	A	0.0000
338	P	A	-0.9171
339	P	A	-0.5074
340	L	A	0.4176
341	R	A	-1.9927
342	W	A	0.0000
343	K	A	-3.0427
344	E	A	-3.1928
345	F	A	0.0000
346	V	A	0.0000
347	R	A	-4.0421	mutated: KR347A
348	R	A	-3.7201
349	L	A	0.0000
350	G	A	-1.9275
351	L	A	-1.6127
352	S	A	-1.7342
353	D	A	-3.2547
354	H	A	-2.6566
355	E	A	0.0000
356	I	A	0.0000
357	D	A	-3.6857
358	R	A	-3.2514
359	L	A	0.0000
360	E	A	-2.8889
361	L	A	-1.2321
362	Q	A	-2.2895
363	N	A	-2.1023
364	G	A	-2.0785
365	R	A	-2.2069
366	C	A	-1.0503
367	L	A	-0.0394
368	R	A	-1.4345
369	E	A	-1.8794
370	A	A	-1.4997
371	Q	A	0.0000
372	Y	A	-0.3929
373	S	A	-1.1112
374	M	A	0.0000
375	L	A	0.0000
376	A	A	-1.0283
377	T	A	-1.5203
378	W	A	0.0000
379	R	A	-3.3366
380	R	A	-3.6655
381	R	A	-3.2243
382	T	A	-2.4923
383	P	A	-2.6187
384	R	A	-3.5779
385	R	A	-3.7361
386	E	A	-3.4683
387	A	A	-2.1296
388	T	A	0.0000
389	L	A	-1.3989
390	E	A	-2.2426
391	L	A	-1.7133
392	L	A	0.0000
393	G	A	0.0000
394	R	A	-3.5477
395	V	A	0.0000
396	L	A	0.0000
397	R	A	-3.7014
398	D	A	-3.7888
399	M	A	-2.6061
400	D	A	-2.9003
401	L	A	-1.9213
402	L	A	-1.6448
403	G	A	-1.7187
404	C	A	-2.1015
405	L	A	-2.6254
406	E	A	-3.4102
407	D	A	-3.6319
408	I	A	0.0000
409	E	A	-3.0261
410	E	A	-2.9247
411	A	A	-0.9794
412	L	A	0.0505
413	C	A	0.0630