Project name: 504e04101799464

Chain sequence(s)	A: STATAQAMMAKRHATLYGDPAGQSQASRIIDDVKPGMRYVVNVDSGETVAFRRAGEKIVAWTFAQMVRDTSVDLGLLMPDLPGSAGVRVYIDRSDLF
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]                                                (00:01:27)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:01:27)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:01:27)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:01:27)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:43)
[CRITICAL]   pyMol:    Pymol encountered an error: /bin/sh: pymol: command not found Movie         
                       creation failed.                                                            (00:03:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:46)

• Minimal score value: -3.4672
• Maximal score value: 1.9382
• Average score: -0.9523
• Total score value: -88.5656

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
13	S	A	-0.3579
14	T	A	-0.3595
15	A	A	-0.2826
16	T	A	-0.1956
17	A	A	-0.6533
18	Q	A	-1.3359
19	A	A	-1.1675
20	M	A	-0.8070
21	A	A	-1.4303
22	K	A	-2.4621
23	R	A	-2.3747
24	H	A	-1.1586
25	A	A	0.0000
26	T	A	-0.8555
27	L	A	0.4660
28	Y	A	-0.0043
29	G	A	-0.8124
30	D	A	-1.7554
31	P	A	-1.2236
32	A	A	-1.1431
33	G	A	-1.2415
34	Q	A	-1.4553
35	S	A	-1.4011
36	Q	A	-1.8996
37	A	A	-1.2195
38	S	A	-0.9654
39	R	A	-0.8848
40	I	A	0.2915
41	I	A	-0.1275
42	D	A	-1.4371
43	V	A	0.0000
44	K	A	-2.5690
45	P	A	-1.7566
46	G	A	-1.3860
47	M	A	-1.5281
48	R	A	-1.8688
49	Y	A	-0.2061
50	V	A	-0.1824
51	N	A	-1.3128
52	V	A	0.0000
53	D	A	-3.2236
54	S	A	-2.4087
55	G	A	-1.9283
56	E	A	-1.5578
57	T	A	-1.3037
58	V	A	0.0000
59	A	A	0.0000
60	F	A	0.0000
61	R	A	-1.3474
62	A	A	-1.8773
63	G	A	-2.1265
64	E	A	-2.6326
65	K	A	-2.2354
66	I	A	-0.9582
67	V	A	-0.2592
68	A	A	0.0000
69	W	A	0.0000
70	T	A	-1.3602
71	F	A	0.0000
72	A	A	-0.9567
73	Q	A	-1.4241
74	M	A	-1.0125
75	V	A	0.2111
76	R	A	-2.3456
77	D	A	-2.3167
78	T	A	-0.9564
79	S	A	-0.6118
80	V	A	0.0000
81	D	A	-0.7227
82	L	A	0.0000
83	G	A	-0.5904
84	L	A	-0.7236
85	L	A	0.0000
86	M	A	0.0000
87	P	A	-1.3708
88	D	A	-1.9592
89	L	A	0.0000
90	P	A	-1.4677
91	G	A	-1.3933
92	S	A	0.0000
93	A	A	-0.8480
94	G	A	-0.9768
95	V	A	0.0000
96	R	A	-1.3198
97	V	A	0.0000
98	Y	A	-0.7602
99	I	A	0.0000
100	D	A	-3.4672
101	R	A	-3.2742
102	S	A	0.0000
103	D	A	-1.3471
104	L	A	1.4122
105	F	A	1.9382