Project name: 4-5R1

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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -2.9196
• Maximal score value: 2.7371
• Average score: -0.9049
• Total score value: -94.1109

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	0.2781
2	T	A	-0.7598
3	E	A	-1.9872
4	Q	A	-1.8059
5	Q	A	-1.2863
6	W	A	-0.4228
7	N	A	-1.6434
8	F	A	-1.1023
9	A	A	-0.6175
10	G	A	-0.8313
11	I	A	-0.7567
12	E	A	-1.7465
13	A	A	-0.9140
14	A	A	-0.4814
15	A	A	-1.1232
16	S	A	-1.0148
17	A	A	-0.7685
18	I	A	-0.9046
19	Q	A	-1.4760
20	G	A	-1.3039
21	N	A	-1.5748
22	V	A	-1.0081
23	T	A	-0.8564
24	S	A	-0.6013
25	I	A	-0.3643
26	H	A	-1.1514
27	S	A	-0.9989
28	L	A	-0.1316
29	L	A	-1.1586
30	D	A	-2.7964
31	E	A	-2.8963
32	G	A	-2.1944
33	K	A	-2.5457
34	Q	A	-2.9196
35	S	A	-2.1150
36	L	A	-1.2731
37	T	A	-1.5866
38	K	A	-1.6973
39	L	A	-0.2147
40	A	A	-0.3436
41	A	A	-0.2163
42	A	A	0.1521
43	W	A	0.5517
44	G	A	-0.2018
45	G	A	-0.8296
46	S	A	-0.7483
47	G	A	-0.7724
48	S	A	-1.3471
49	E	A	-2.2252
50	A	A	-1.1182
51	Y	A	-0.8782
52	Q	A	-1.9689
53	G	A	-1.4493
54	V	A	-0.6647
55	Q	A	-1.5465
56	Q	A	-2.1348
57	K	A	-2.1371
58	W	A	-1.5072
59	D	A	-1.6083
60	A	A	-1.3340
61	T	A	-1.3511
62	A	A	-1.2928
63	T	A	-1.4754
64	E	A	-2.1624
65	L	A	-1.0600
66	N	A	-1.5062
67	N	A	-2.2305
68	A	A	-1.3745
69	L	A	-1.3830
70	Q	A	-2.1867
71	N	A	-1.6158
72	L	A	-0.7111
73	A	A	-1.5056
74	R	A	-2.1362
75	T	A	-1.4273
76	I	A	-1.2642
77	S	A	-1.9564
78	E	A	-2.4504
79	A	A	-1.4098
80	G	A	0.0000
81	Q	A	-2.0093
82	A	A	-1.1543
83	M	A	-1.0593
84	A	A	-1.2380
85	S	A	-1.1108
86	T	A	-1.1570
87	E	A	-1.7900
88	G	A	-1.2004
89	N	A	-1.1955
90	V	A	0.3845
91	T	A	0.3692
92	G	A	0.7232
93	M	A	1.9366
94	F	A	2.7147
95	A	A	2.2221
96	F	A	2.6206
97	A	A	1.6472
98	V	A	2.4416
99	T	A	1.0488
100	N	A	-0.7961
101	D	A	-0.9752
102	G	A	0.1050
103	V	A	2.2040
104	I	A	2.7371