Project name: 88c2192316ec96f

Chain sequence(s)	A: MSHHHHHHSGMEKVSKEEGEKAITDKSMPLHERLTIIARYLGFEAEQEQVGSHYAVWIKEEDFEEFFEKLPEELKKLLEDPSSGIEVFRVGDMVVIDIDPRYEKLFNS
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                                          (00:03:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:14)

• Minimal score value: -4.2471
• Maximal score value: 0.6371
• Average score: -1.3674
• Total score value: -147.6777

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	0.5500
2	S	A	-0.6214
3	H	A	-1.7375
4	H	A	-2.3383
5	H	A	-2.7648
6	H	A	-2.7484
7	H	A	-2.5021
8	H	A	-2.2455
9	S	A	-1.9377
10	G	A	-1.7499
11	M	A	-1.5186
12	E	A	-2.6760
13	K	A	-2.7106
14	V	A	-2.2264
15	S	A	-2.9034
16	K	A	-3.8030
17	E	A	-4.2471
18	E	A	-3.8734
19	G	A	0.0000
20	E	A	-3.5958
21	K	A	-3.5031
22	A	A	0.0000
23	I	A	-0.9429
24	T	A	-1.2730
25	D	A	-1.9923
26	K	A	-2.2337
27	S	A	-1.5204
28	M	A	-1.1298
29	P	A	-1.0436
30	L	A	0.0000
31	H	A	0.0000
32	E	A	-1.2107
33	R	A	0.0000
34	L	A	0.0000
35	T	A	0.0000
36	I	A	-1.0945
37	I	A	0.0000
38	A	A	0.0000
39	R	A	-0.9914
40	Y	A	-1.2357
41	L	A	-0.4178
42	G	A	-0.6572
43	F	A	0.0000
44	E	A	-1.8158
45	A	A	0.0000
46	E	A	-2.0210
47	Q	A	-1.8155
48	E	A	-2.2827
49	Q	A	-1.7618
50	V	A	-0.5812
51	G	A	-0.7089
52	S	A	-0.8066
53	H	A	-1.0170
54	Y	A	-0.9692
55	A	A	0.0000
56	V	A	0.0000
57	W	A	-0.5720
58	I	A	0.0000
59	K	A	-2.7018
60	E	A	-3.2229
61	E	A	-3.5724
62	D	A	-3.0177
63	F	A	0.0000
64	E	A	-3.9714
65	E	A	-3.9758
66	F	A	0.0000
67	F	A	-2.5684
68	E	A	-3.7219
69	K	A	-3.0243
70	L	A	0.0000
71	P	A	-1.9027
72	E	A	-3.1835
73	E	A	-2.4684
74	L	A	0.0000
75	K	A	-3.0158
76	K	A	-3.3815
77	L	A	0.0000
78	L	A	0.0000
79	E	A	-2.9832
80	D	A	-2.2225
81	P	A	-1.5415
82	S	A	-0.8573
83	S	A	0.0000
84	G	A	-0.9779
85	I	A	0.0000
86	E	A	-1.8882
87	V	A	-0.7097
88	F	A	0.1903
89	R	A	-1.0447
90	V	A	0.2661
91	G	A	-1.0793
92	D	A	-2.5740
93	M	A	-1.3955
94	V	A	0.0000
95	V	A	0.0000
96	I	A	0.0000
97	D	A	-0.8672
98	I	A	0.0000
99	D	A	0.0000
100	P	A	-1.1179
101	R	A	-1.8969
102	Y	A	-0.4851
103	E	A	-1.0191
104	K	A	-1.4228
105	L	A	0.6371
106	F	A	0.1585
107	N	A	-1.2459
108	S	A	-0.6248