Project name: CTMAD2 [mutate: AH8C]

Chain sequence(s)	C: TLSLLTKAKLHIKKLEDCDRKAVHQIDQLQREQRHLKRQLEK
Selected Chain(s)	C
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	AH8C
Energy difference between WT (input) and mutated protein (by FoldX)	0.104338 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 C chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:02:12)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:17)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:05)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:03:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:06)

• Minimal score value: -2.317
• Maximal score value: 1.8203
• Average score: -0.6459
• Total score value: -27.1281

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	T	C	0.2127
2	L	C	1.4967
3	S	C	0.3428
4	L	C	1.7872
5	L	C	1.8203
6	T	C	-0.0546
7	K	C	-1.8841
8	H	C	-1.6036	mutated: AH8C
9	K	C	-1.7429
10	L	C	0.1153
11	H	C	-0.4193
12	I	C	1.2100
13	K	C	-1.6347
14	K	C	-1.8287
15	L	C	0.4828
16	E	C	-1.5249
17	D	C	-1.3927
18	C	C	-0.1220
19	D	C	-2.1387
20	R	C	-2.2684
21	K	C	-1.9918
22	A	C	0.0534
23	V	C	1.6006
24	H	C	-0.8172
25	Q	C	-0.6436
26	I	C	1.6757
27	D	C	-0.9110
28	Q	C	-1.1994
29	L	C	0.5271
30	Q	C	-0.9300
31	R	C	-2.2599
32	E	C	-1.9250
33	Q	C	-1.2148
34	R	C	-1.5154
35	H	C	-1.0241
36	L	C	0.4796
37	K	C	-1.5443
38	R	C	-2.3170
39	Q	C	-1.1563
40	L	C	1.0059
41	E	C	-1.8467
42	K	C	-2.0271