Project name: protein 20

Chain sequence(s)	A: MPNIFQNYFKDGGVRSFNHREWFMAIQDEKLTRLDNGLCAWQYKNVQQDVMLERPTKTQVYKGALSLAEQFNFLALSLLLLLSVVFEMQTGGILRLGSEGGNPDNGDNPHG
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: -3.4791
• Maximal score value: 4.5127
• Average score: -0.3506
• Total score value: -38.9212

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	0.6236
2	P	A	-0.6482
3	N	A	-1.0863
4	I	A	-0.2311
5	F	A	-0.2672
6	Q	A	-1.1200
7	N	A	-0.6336
8	Y	A	0.1407
9	F	A	-0.8959
10	K	A	-2.2035
11	D	A	-2.4267
12	G	A	-1.5506
13	G	A	-1.1206
14	V	A	-0.4900
15	R	A	-1.4354
16	S	A	-1.1918
17	F	A	-1.1692
18	N	A	-1.8241
19	H	A	-1.5648
20	R	A	-2.3297
21	E	A	-1.5927
22	W	A	-0.0183
23	F	A	0.7948
24	M	A	-0.2580
25	A	A	-0.7459
26	I	A	-0.1557
27	Q	A	-1.6009
28	D	A	-2.8418
29	E	A	-3.4791
30	K	A	-3.0096
31	L	A	-1.4075
32	T	A	-1.2820
33	R	A	-2.0572
34	L	A	-1.1441
35	D	A	-2.4357
36	N	A	-1.9897
37	G	A	-1.1067
38	L	A	0.4707
39	C	A	-0.1869
40	A	A	0.0298
41	W	A	0.0374
42	Q	A	-1.1533
43	Y	A	-0.3359
44	K	A	-1.8306
45	N	A	-1.6223
46	V	A	-0.0613
47	Q	A	-1.6360
48	Q	A	-1.8089
49	D	A	-0.9957
50	V	A	1.4004
51	M	A	1.0945
52	L	A	0.9722
53	E	A	-1.4947
54	R	A	-2.3552
55	P	A	-1.7506
56	T	A	-1.7884
57	K	A	-1.7483
58	T	A	-1.0946
59	Q	A	-1.0913
60	V	A	0.5729
61	Y	A	0.6151
62	K	A	-0.8968
63	G	A	-0.7379
64	A	A	-0.2358
65	L	A	-0.0555
66	S	A	-0.1010
67	L	A	1.3524
68	A	A	0.6204
69	E	A	-0.3839
70	Q	A	0.8551
71	F	A	2.2301
72	N	A	0.9556
73	F	A	2.8226
74	L	A	2.9093
75	A	A	2.6382
76	L	A	3.4408
77	S	A	3.3316
78	L	A	4.0061
79	L	A	4.5127
80	L	A	4.4367
81	L	A	4.2912
82	L	A	3.7264
83	S	A	2.9243
84	V	A	2.9428
85	V	A	2.6277
86	F	A	2.4629
87	E	A	0.5492
88	M	A	1.0178
89	Q	A	-0.0881
90	T	A	0.2543
91	G	A	-0.2050
92	G	A	0.4021
93	I	A	2.0670
94	L	A	1.4942
95	R	A	-0.5323
96	L	A	1.0032
97	G	A	-0.1894
98	S	A	-1.3732
99	E	A	-2.5694
100	G	A	-2.1442
101	G	A	-2.1660
102	N	A	-2.6227
103	P	A	-2.4720
104	D	A	-3.3556
105	N	A	-3.3505
106	G	A	-2.9412
107	D	A	-3.3335
108	N	A	-2.8491
109	P	A	-1.8896
110	H	A	-1.6154
111	G	A	-1.1723