Project name: seq51 [mutate: IQ27A]

Chain sequence(s)	A: MLLELCGLCWGSEEELLELADMNDTWIFGEELLELLLEECGEEGWTTDPDE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	IQ27A
Energy difference between WT (input) and mutated protein (by FoldX)	0.177532 kcal/mol

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:23)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.6986
• Maximal score value: 1.8551
• Average score: -1.3678
• Total score value: -69.7556

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
1	M	A	1.4203
2	L	A	1.8551
3	L	A	0.7318
4	E	A	-0.6474
5	L	A	0.9254
6	C	A	1.1543
7	G	A	-0.1078
8	L	A	1.5827
9	C	A	1.6813
10	W	A	1.0645
11	G	A	-0.6323
12	S	A	-1.9637
13	E	A	-3.0678
14	E	A	-3.5566
15	E	A	-3.3768
16	L	A	0.0000
17	L	A	-1.5597
18	E	A	-2.7819
19	L	A	-1.2369
20	A	A	-1.3355
21	D	A	-2.3651
22	M	A	-0.6297
23	N	A	-1.4312
24	D	A	-2.1284
25	T	A	-0.9048
26	W	A	-0.3984
27	Q	A	-1.4818	mutated: IQ27A
28	F	A	-1.4205
29	G	A	-2.0270
30	E	A	-2.9414
31	E	A	-2.7035
32	L	A	-1.1727
33	L	A	-1.3408
34	E	A	-2.5841
35	L	A	-1.1806
36	L	A	-0.7387
37	L	A	-0.8657
38	E	A	-3.0405
39	E	A	-3.2106
40	C	A	-1.6987
41	G	A	-2.5880
42	E	A	-3.6986
43	E	A	-3.3081
44	G	A	-1.4022
45	W	A	-0.5627
46	T	A	-1.2130
47	T	A	-1.1943
48	D	A	-2.7949
49	P	A	-2.4190
50	D	A	-3.3318
51	E	A	-3.1278