Project name: cb3abab8707745

Chain sequence(s)	A: MSHHHHHHSGMPKWRKLSPLELVQRIIDTFGPKNPLARALVRELHKVQQRAEYEEMENPSIKIYENGISELMLEEYKKILDRYIETSPLGEELRKLFYENS
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                                          (00:02:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:35)

• Minimal score value: -3.5109
• Maximal score value: 0.5504
• Average score: -1.4201
• Total score value: -143.4286

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	0.5504
2	S	A	-0.6286
3	H	A	-1.7368
4	H	A	-2.3586
5	H	A	-2.7065
6	H	A	-2.7005
7	H	A	-2.4214
8	H	A	-2.2268
9	S	A	-1.0300
10	G	A	-0.9035
11	M	A	-0.1313
12	P	A	0.0000
13	K	A	-1.8526
14	W	A	0.0000
15	R	A	-1.7609
16	K	A	-2.4749
17	L	A	-1.7034
18	S	A	-0.8358
19	P	A	-0.2020
20	L	A	0.4542
21	E	A	-1.2641
22	L	A	0.0000
23	V	A	0.0000
24	Q	A	-1.8417
25	R	A	-2.2619
26	I	A	0.0000
27	I	A	-1.9361
28	D	A	-2.3682
29	T	A	-1.3869
30	F	A	-1.1421
31	G	A	-1.5355
32	P	A	-1.6868
33	K	A	-2.0837
34	N	A	-1.3249
35	P	A	-0.9788
36	L	A	-0.4756
37	A	A	0.0000
38	R	A	-1.8214
39	A	A	-1.1587
40	L	A	0.0000
41	V	A	0.0000
42	R	A	-2.7969
43	E	A	-2.1095
44	L	A	0.0000
45	H	A	-2.3306
46	K	A	-3.2174
47	V	A	-2.6308
48	Q	A	-2.2740
49	Q	A	-2.9469
50	R	A	-3.2118
51	A	A	0.0000
52	E	A	-2.1117
53	Y	A	-1.1350
54	E	A	-2.3243
55	E	A	-2.0760
56	M	A	-0.6431
57	E	A	-2.1503
58	N	A	-2.0254
59	P	A	-1.3525
60	S	A	-1.0168
61	I	A	-1.2968
62	K	A	-1.7938
63	I	A	-0.6247
64	Y	A	-0.9735
65	E	A	-2.0089
66	N	A	-1.6253
67	G	A	-0.9709
68	I	A	0.0000
69	S	A	0.0000
70	E	A	-1.6140
71	L	A	-1.7049
72	M	A	0.0000
73	L	A	0.0000
74	E	A	-2.9043
75	E	A	-2.5115
76	Y	A	0.0000
77	K	A	-2.5248
78	K	A	-3.0710
79	I	A	0.0000
80	L	A	0.0000
81	D	A	-2.2199
82	R	A	-2.3924
83	Y	A	0.0000
84	I	A	-2.1894
85	E	A	-2.6041
86	T	A	-1.3117
87	S	A	-1.0065
88	P	A	-0.9305
89	L	A	0.0000
90	G	A	0.0000
91	E	A	-3.1753
92	E	A	-2.8041
93	L	A	0.0000
94	R	A	-3.0952
95	K	A	-3.4283
96	L	A	-2.1587
97	F	A	0.0000
98	Y	A	0.0000
99	E	A	-3.5109
100	N	A	-2.8649
101	S	A	-1.8239