Project name: query_structure

Chain sequence(s)	A: CCDMAENMCLALCCDMAENMCLALCCDMAELLALCCDMAELLALCCDGAENMCLALCCDGAENMCLALCCDGAELLALCCDGAELLALCCGAENMCLALCCGAENMCLALCCGAELLALCCGAELLAL
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -3.2341
• Maximal score value: 2.6356
• Average score: 0.1412
• Total score value: 18.0745

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	C	A	0.6930
2	C	A	0.4513
3	D	A	-0.9932
4	M	A	-0.0160
5	A	A	-0.8573
6	E	A	-2.3257
7	N	A	-1.4697
8	M	A	0.6199
9	C	A	1.5530
10	L	A	1.8353
11	A	A	1.6742
12	L	A	1.7211
13	C	A	1.1190
14	C	A	0.1146
15	D	A	-1.4103
16	M	A	-0.2674
17	A	A	-0.9245
18	E	A	-2.3095
19	N	A	-1.9583
20	M	A	-0.0839
21	C	A	1.1544
22	L	A	1.6804
23	A	A	1.5727
24	L	A	1.7544
25	C	A	1.3903
26	C	A	0.4158
27	D	A	-1.4144
28	M	A	0.2871
29	A	A	-0.1011
30	E	A	-0.5298
31	L	A	1.7147
32	L	A	2.3765
33	A	A	1.7737
34	L	A	2.3986
35	C	A	1.4492
36	C	A	0.6621
37	D	A	-0.9156
38	M	A	-0.1137
39	A	A	-0.5566
40	E	A	-1.1676
41	L	A	0.8458
42	L	A	1.3321
43	A	A	1.6252
44	L	A	1.9349
45	C	A	1.4126
46	C	A	-0.1399
47	D	A	-2.1832
48	G	A	-1.7782
49	A	A	-1.9637
50	E	A	-3.2341
51	N	A	-2.4851
52	M	A	-0.8165
53	C	A	0.6558
54	L	A	0.0000
55	A	A	1.2730
56	L	A	0.8277
57	C	A	0.4489
58	C	A	-0.4764
59	D	A	-2.1381
60	G	A	-1.7118
61	A	A	-1.9051
62	E	A	-2.5222
63	N	A	-1.8860
64	M	A	0.0145
65	C	A	0.7372
66	L	A	1.0894
67	A	A	0.9126
68	L	A	0.6788
69	C	A	0.5006
70	C	A	0.0000
71	D	A	-2.7996
72	G	A	-2.3418
73	A	A	-1.7471
74	E	A	-1.3615
75	L	A	0.5469
76	L	A	1.7462
77	A	A	1.7776
78	L	A	1.5348
79	C	A	0.8019
80	C	A	0.0294
81	D	A	-1.6658
82	G	A	-1.4652
83	A	A	-1.1146
84	E	A	-1.3205
85	L	A	0.4826
86	L	A	1.2228
87	A	A	1.2578
88	L	A	1.2513
89	C	A	0.8111
90	C	A	-0.4364
91	G	A	-1.4898
92	A	A	-1.1514
93	E	A	-2.3837
94	N	A	-1.5932
95	M	A	0.2281
96	C	A	1.1672
97	L	A	1.5693
98	A	A	1.2689
99	L	A	1.1173
100	C	A	0.5043
101	C	A	-0.2591
102	G	A	-1.1959
103	A	A	-1.3441
104	E	A	-2.1991
105	N	A	-1.6939
106	M	A	-0.0689
107	C	A	1.2092
108	L	A	1.5712
109	A	A	1.5895
110	L	A	1.8302
111	C	A	1.4115
112	C	A	0.6125
113	G	A	-0.7090
114	A	A	-0.7008
115	E	A	-0.6569
116	L	A	1.6237
117	L	A	2.6356
118	A	A	2.2289
119	L	A	2.6050
120	C	A	1.8959
121	C	A	1.2296
122	G	A	-0.3863
123	A	A	-0.2143
124	E	A	-0.5043
125	L	A	1.9698
126	L	A	2.5535
127	A	A	2.1138
128	L	A	2.4348