Project name: 4_1

Chain sequence(s)	A: MGSHHHHHHMKKDDQIAAAIALRGMAKDGKFAVKGGGGSGGGGQNKNDQIAAAIVLRGLAKGGKFANAGGGGSGGGGKKKNDQIAAALVLRGVAKSGKFAGAGGGGSGGGGITRNDEIAAAIVLRGMAKGGRFFASGGG
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]                                                (00:00:01)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:28)

• Minimal score value: -3.7556
• Maximal score value: 1.4047
• Average score: -1.2466
• Total score value: -173.279

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	0.2057
2	G	A	-0.5890
3	S	A	-1.2945
4	H	A	-2.1938
5	H	A	-2.7049
6	H	A	-2.7274
7	H	A	-2.8155
8	H	A	-3.6023
9	H	A	-3.5616
10	M	A	-3.0970
11	K	A	-3.7556
12	K	A	-3.6558
13	D	A	-2.8420
14	D	A	-2.3305
15	Q	A	-1.8863
16	I	A	-0.8164
17	A	A	-1.0024
18	A	A	0.0000
19	A	A	0.0000
20	I	A	-0.1577
21	A	A	-0.5826
22	L	A	0.0000
23	R	A	-1.7470
24	G	A	-1.7855
25	M	A	-2.1656
26	A	A	-2.1603
27	K	A	-3.1560
28	D	A	-3.1655
29	G	A	-2.2876
30	K	A	-2.4794
31	F	A	-1.8896
32	A	A	0.0000
33	V	A	0.0000
34	K	A	-1.8103
35	G	A	-2.3486
36	G	A	-1.9247
37	G	A	-1.6174
38	G	A	-1.2363
39	S	A	-1.3768
40	G	A	-1.0529
41	G	A	-1.2567
42	G	A	-1.6129
43	G	A	-2.3027
44	Q	A	-3.0222
45	N	A	-3.5573
46	K	A	-3.5594
47	N	A	-3.0649
48	D	A	-2.6203
49	Q	A	-1.9663
50	I	A	-0.6945
51	A	A	-0.5701
52	A	A	0.0000
53	A	A	0.0000
54	I	A	0.3739
55	V	A	-0.0047
56	L	A	0.0000
57	R	A	-2.1289
58	G	A	-1.5359
59	L	A	0.0000
60	A	A	-1.9931
61	K	A	-2.6559
62	G	A	-1.8789
63	G	A	-1.7349
64	K	A	-1.5924
65	F	A	-0.0390
66	A	A	-0.2530
67	N	A	-0.9738
68	A	A	-1.0636
69	G	A	-1.3730
70	G	A	-1.7645
71	G	A	-1.6938
72	G	A	-1.2393
73	S	A	-0.9667
74	G	A	-1.2121
75	G	A	-1.1346
76	G	A	-1.5569
77	G	A	-1.9421
78	K	A	-2.8861
79	K	A	-2.6051
80	K	A	-2.3882
81	N	A	-2.1706
82	D	A	-1.8994
83	Q	A	0.0000
84	I	A	-0.1672
85	A	A	-0.1956
86	A	A	0.0000
87	A	A	0.0899
88	L	A	0.0000
89	V	A	1.0815
90	L	A	0.5562
91	R	A	-0.6655
92	G	A	0.2498
93	V	A	1.1423
94	A	A	-0.3019
95	K	A	-1.6088
96	S	A	-1.4555
97	G	A	-1.7265
98	K	A	-2.2194
99	F	A	-0.8727
100	A	A	-0.4990
101	G	A	0.0000
102	A	A	-0.4495
103	G	A	-0.4351
104	G	A	-0.6153
105	G	A	-1.1123
106	G	A	-1.0483
107	S	A	-0.8653
108	G	A	-0.9867
109	G	A	-1.2669
110	G	A	-1.3066
111	G	A	-0.8807
112	I	A	-0.3953
113	T	A	-1.3922
114	R	A	-2.6576
115	N	A	0.0000
116	D	A	-2.4837
117	E	A	-2.5665
118	I	A	-1.0674
119	A	A	0.0000
120	A	A	-0.4926
121	A	A	-0.0629
122	I	A	-0.0875
123	V	A	0.0000
124	L	A	0.9491
125	R	A	-1.1236
126	G	A	-0.8387
127	M	A	-0.0228
128	A	A	-0.6378
129	K	A	-2.1090
130	G	A	-1.7192
131	G	A	-1.5763
132	R	A	-1.6861
133	F	A	0.3827
134	F	A	1.4047
135	A	A	0.5169
136	S	A	-0.4025
137	G	A	-0.9813
138	G	A	-1.3442
139	G	A	-1.1731