Project name: query_structure

Chain sequence(s)	A: NMAAPPNMANMAAPPCMNMAAPNNMANMAAPNCMNMAAPAPENMAAPPNMANMAAPPCMNMAAPNNMANMAAPNCMNMAAPAPE
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -2.8852
• Maximal score value: 1.3019
• Average score: -0.401
• Total score value: -33.6876

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	N	A	-0.7628
2	M	A	0.4812
3	A	A	0.2099
4	A	A	-0.1429
5	P	A	-0.3203
6	P	A	-1.1533
7	N	A	-1.2460
8	M	A	0.2996
9	A	A	-0.5102
10	N	A	-1.1756
11	M	A	0.3897
12	A	A	0.0072
13	A	A	-0.2904
14	P	A	0.1570
15	P	A	0.2327
16	C	A	1.0127
17	M	A	1.3019
18	N	A	0.3158
19	M	A	1.2187
20	A	A	0.3949
21	A	A	-0.3361
22	P	A	-1.1169
23	N	A	-2.7087
24	N	A	-2.4170
25	M	A	0.0816
26	A	A	0.0000
27	N	A	-0.2329
28	M	A	1.2636
29	A	A	0.5642
30	A	A	-0.0274
31	P	A	-0.6654
32	N	A	-1.0880
33	C	A	-0.2396
34	M	A	-0.4695
35	N	A	-0.8782
36	M	A	-0.0412
37	A	A	-0.1718
38	A	A	-0.2062
39	P	A	-0.5116
40	A	A	-0.6690
41	P	A	-1.2614
42	E	A	-2.2498
43	N	A	-1.6504
44	M	A	-0.0381
45	A	A	-0.1962
46	A	A	-0.3763
47	P	A	-0.6121
48	P	A	-1.1425
49	N	A	-2.1432
50	M	A	-1.2590
51	A	A	-1.1471
52	N	A	-1.7967
53	M	A	0.0000
54	A	A	-0.3808
55	A	A	-0.3557
56	P	A	0.1140
57	P	A	0.3268
58	C	A	0.9365
59	M	A	1.1297
60	N	A	-0.2878
61	M	A	0.7208
62	A	A	-0.0936
63	A	A	-0.8113
64	P	A	-1.4866
65	N	A	-2.8852
66	N	A	-2.6479
67	M	A	-0.4757
68	A	A	-0.7777
69	N	A	-1.0933
70	M	A	0.8735
71	A	A	0.0000
72	A	A	-0.5380
73	P	A	-0.5732
74	N	A	-0.8377
75	C	A	0.0387
76	M	A	0.8099
77	N	A	0.3742
78	M	A	1.1070
79	A	A	0.5093
80	A	A	0.1811
81	P	A	-0.3662
82	A	A	-0.6524
83	P	A	-1.2555
84	E	A	-1.9674