Project name: Teste

Chain sequence(s)	A: MKLKLKLKLKHLKLKLKLMKLMKLKTIVLVITLTIFTVILVITFIVLTVLMVLVILTIVLMVWVTVLTIVFVIVFVTLTVWVIVLITVFIMVFVITLVKLKLMKLKLKLIKLKLIKLKLKHHHHHH
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:07)

• Minimal score value: -2.8153
• Maximal score value: 5.2219
• Average score: 1.2059
• Total score value: 151.946

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	0.2702
2	K	A	-0.9865
3	L	A	-0.0989
4	K	A	-1.1561
5	L	A	0.1051
6	K	A	-0.3140
7	L	A	-0.0766
8	K	A	-1.1958
9	L	A	0.1201
10	K	A	0.2341
11	H	A	0.0249
12	L	A	-0.1224
13	K	A	0.4585
14	L	A	0.0000
15	K	A	-0.1315
16	L	A	0.1868
17	K	A	0.1999
18	L	A	0.6889
19	M	A	0.6584
20	K	A	0.0260
21	L	A	1.2808
22	M	A	0.7452
23	K	A	-0.4706
24	L	A	0.6266
25	K	A	0.5525
26	T	A	0.9635
27	I	A	2.3389
28	V	A	2.3798
29	L	A	1.9425
30	V	A	2.7060
31	I	A	1.8522
32	T	A	1.6108
33	L	A	2.2994
34	T	A	1.2142
35	I	A	1.8086
36	F	A	2.0057
37	T	A	0.0000
38	V	A	1.6501
39	I	A	1.4646
40	L	A	1.1678
41	V	A	1.1522
42	I	A	1.5867
43	T	A	0.0000
44	F	A	1.8190
45	I	A	3.0062
46	V	A	2.5181
47	L	A	0.0000
48	T	A	2.5785
49	V	A	3.3074
50	L	A	3.0446
51	M	A	0.0000
52	V	A	3.6910
53	L	A	2.9012
54	V	A	1.7007
55	I	A	0.0000
56	L	A	0.0000
57	T	A	0.0000
58	I	A	3.1501
59	V	A	2.3666
60	L	A	0.0000
61	M	A	2.5202
62	V	A	3.2235
63	W	A	2.6280
64	V	A	2.3652
65	T	A	2.3813
66	V	A	3.3189
67	L	A	2.9330
68	T	A	2.7499
69	I	A	4.1855
70	V	A	3.6611
71	F	A	4.4553
72	V	A	4.2427
73	I	A	4.7128
74	V	A	4.4203
75	F	A	5.2219
76	V	A	4.0485
77	T	A	2.9334
78	L	A	3.6006
79	T	A	2.9072
80	V	A	3.8822
81	W	A	3.3717
82	V	A	3.4446
83	I	A	3.9771
84	V	A	3.7350
85	L	A	3.7156
86	I	A	3.2472
87	T	A	2.9762
88	V	A	3.6804
89	F	A	3.9876
90	I	A	0.0000
91	M	A	2.8812
92	V	A	2.8579
93	F	A	2.3469
94	V	A	0.0000
95	I	A	1.6399
96	T	A	0.8639
97	L	A	0.9602
98	V	A	0.0000
99	K	A	-0.5467
100	L	A	0.7062
101	K	A	-0.5527
102	L	A	1.1010
103	M	A	0.4768
104	K	A	-1.0553
105	L	A	-0.7579
106	K	A	-1.4292
107	L	A	-1.0697
108	K	A	-1.5341
109	L	A	-0.2402
110	I	A	0.0000
111	K	A	-0.6356
112	L	A	0.8299
113	K	A	0.0000
114	L	A	0.6392
115	I	A	1.3239
116	K	A	-0.4178
117	L	A	-0.2097
118	K	A	-2.0252
119	L	A	-1.5301
120	K	A	-2.8153
121	H	A	-2.3114
122	H	A	-1.5888
123	H	A	-2.4335
124	H	A	-2.4797
125	H	A	-1.6086
126	H	A	-1.8184