Project name: 4-5R2

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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -3.6701
• Maximal score value: 3.0828
• Average score: -1.1426
• Total score value: -118.8284

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	0.0364
2	T	A	-1.0202
3	E	A	-2.3396
4	Q	A	-2.3835
5	Q	A	-1.7909
6	W	A	-0.7014
7	N	A	-1.9411
8	F	A	-1.2008
9	A	A	-0.7572
10	G	A	-0.8557
11	I	A	-0.4660
12	E	A	-1.6660
13	A	A	-0.9238
14	A	A	-0.4466
15	A	A	-0.9979
16	S	A	-1.0373
17	A	A	-0.7811
18	I	A	-0.7289
19	Q	A	-1.5432
20	G	A	-1.3185
21	N	A	-1.6370
22	V	A	-0.9570
23	T	A	-0.7518
24	S	A	-0.7537
25	I	A	-0.5216
26	H	A	-0.9871
27	S	A	-1.2020
28	L	A	-0.5280
29	L	A	-1.7369
30	D	A	-3.2875
31	E	A	-3.2691
32	G	A	-2.5876
33	K	A	-3.6701
34	Q	A	-3.2195
35	S	A	-2.2671
36	L	A	-1.6049
37	T	A	-1.5568
38	K	A	-1.7651
39	L	A	-0.3032
40	A	A	-0.4377
41	A	A	-0.2374
42	A	A	0.0152
43	W	A	-0.1445
44	G	A	-0.4678
45	G	A	-0.9720
46	S	A	-0.9329
47	G	A	-0.9397
48	S	A	-1.4984
49	E	A	-2.2968
50	A	A	-1.2081
51	Y	A	-1.1223
52	Q	A	-2.2644
53	G	A	-1.8640
54	V	A	-1.2197
55	Q	A	-2.3716
56	Q	A	-2.8164
57	K	A	-2.7660
58	W	A	-2.3443
59	D	A	-3.0321
60	A	A	-2.1389
61	T	A	-1.8898
62	A	A	-1.9612
63	T	A	-1.8830
64	E	A	-2.5159
65	L	A	-1.4739
66	N	A	-1.8234
67	N	A	-2.5914
68	A	A	-1.8146
69	L	A	-1.8354
70	Q	A	-2.8117
71	N	A	-2.5238
72	L	A	-1.4477
73	A	A	-1.9422
74	R	A	-2.9209
75	T	A	-1.9797
76	I	A	-1.5320
77	S	A	-2.1856
78	E	A	-2.7133
79	A	A	-1.5745
80	G	A	-1.6113
81	Q	A	-1.9390
82	A	A	-1.1182
83	M	A	-1.0343
84	A	A	-1.1354
85	S	A	-1.0600
86	T	A	-1.1441
87	E	A	-1.6432
88	G	A	-1.1607
89	N	A	-1.2255
90	V	A	0.2699
91	T	A	0.4638
92	G	A	0.7828
93	M	A	2.1232
94	F	A	3.0828
95	A	A	2.2087
96	F	A	2.7105
97	A	A	1.6291
98	V	A	2.4996
99	T	A	1.1474
100	N	A	-0.7347
101	D	A	-0.9574
102	G	A	0.0717
103	V	A	2.1691
104	I	A	2.7259