Project name: 4-5R4

Chain sequence(s)	A: MTEQQWNFAGIEAAASAIQGNVTSIHSLLDEGKQSLTKLAAAWGGSGSEAYQGVQQKWDATATELNNALQNLARTISEAGQAMASTEGNVTGMFAFAVTNDGVI
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.8277
• Maximal score value: 3.1192
• Average score: -0.9007
• Total score value: -93.673

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	0.2227
2	T	A	-0.9871
3	E	A	-2.3436
4	Q	A	-2.3518
5	Q	A	-1.7882
6	W	A	-0.6623
7	N	A	-1.7485
8	F	A	-1.0545
9	A	A	-0.6387
10	G	A	-0.6493
11	I	A	-0.4461
12	E	A	-1.6143
13	A	A	-0.8171
14	A	A	-0.3734
15	A	A	-1.0904
16	S	A	-0.9312
17	A	A	-0.6950
18	I	A	-0.8580
19	Q	A	-1.3839
20	G	A	-1.2430
21	N	A	-1.5482
22	V	A	-0.8431
23	T	A	-0.8493
24	S	A	-0.6303
25	I	A	-0.4370
26	H	A	-1.1949
27	S	A	-1.0015
28	L	A	-0.1131
29	L	A	-1.1433
30	D	A	-2.8079
31	E	A	-2.8277
32	G	A	-2.0778
33	K	A	-2.2863
34	Q	A	-2.7504
35	S	A	-1.9851
36	L	A	-1.1795
37	T	A	-1.4788
38	K	A	-1.6178
39	L	A	-0.1151
40	A	A	-0.4437
41	A	A	-0.2021
42	A	A	0.0943
43	W	A	0.3535
44	G	A	-0.3266
45	G	A	-0.9343
46	S	A	-0.8610
47	G	A	-0.8441
48	S	A	-1.4301
49	E	A	-2.3279
50	A	A	-1.1563
51	Y	A	-0.9488
52	Q	A	-2.1894
53	G	A	-1.8020
54	V	A	-0.8838
55	Q	A	-1.6875
56	Q	A	-2.3247
57	K	A	-2.2926
58	W	A	-1.4605
59	D	A	-1.7381
60	A	A	-1.4180
61	T	A	-1.3651
62	A	A	0.0000
63	T	A	-1.5006
64	E	A	-2.1533
65	L	A	-1.0518
66	N	A	-1.5435
67	N	A	-2.2564
68	A	A	-1.4480
69	L	A	-1.5041
70	Q	A	-2.3514
71	N	A	-1.8815
72	L	A	-0.9638
73	A	A	-1.7954
74	R	A	-2.7113
75	T	A	-1.7422
76	I	A	-1.3922
77	S	A	-2.0800
78	E	A	-2.5731
79	A	A	-1.4360
80	G	A	0.0000
81	Q	A	-1.8378
82	A	A	-0.9538
83	M	A	-0.6686
84	A	A	-1.0121
85	S	A	-0.8790
86	T	A	-0.8559
87	E	A	-1.3440
88	G	A	-0.9145
89	N	A	-1.0477
90	V	A	0.4426
91	T	A	0.6062
92	G	A	0.8552
93	M	A	2.1590
94	F	A	3.1192
95	A	A	2.4086
96	F	A	2.7679
97	A	A	1.7046
98	V	A	2.4550
99	T	A	1.0806
100	N	A	-0.7655
101	D	A	-1.0589
102	G	A	0.0443
103	V	A	2.1874
104	I	A	2.7484