Project name: AAA

Chain sequence(s)	A: ALDTNYCFSSTEKNCCVRQLYIDFRKDLGWKWIHEPKGYHANFCLGPCPYIWSLDTQYSKVLALYNQHNPGASAAPCCVPQALEPLPIVYYVGRKPKVEQLSNMIVRSCKCS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:39)

• Minimal score value: -3.8858
• Maximal score value: 2.3218
• Average score: -0.5809
• Total score value: -65.0663

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	A	A	0.1009
2	L	A	-0.4796
3	D	A	-0.9716
4	T	A	-0.8600
5	N	A	-0.8669
6	Y	A	0.7241
7	C	A	0.0000
8	F	A	0.4208
9	S	A	-0.0772
10	S	A	-0.5318
11	T	A	-1.1164
12	E	A	-2.0051
13	K	A	-2.5178
14	N	A	-1.2398
15	C	A	0.0000
16	C	A	0.0000
17	V	A	0.0000
18	R	A	-0.7871
19	Q	A	-0.9587
20	L	A	0.2403
21	Y	A	0.1002
22	I	A	-1.1636
23	D	A	-2.6176
24	F	A	0.0000
25	R	A	-3.8858
26	K	A	-3.6416
27	D	A	-2.7993
28	L	A	-1.3868
29	G	A	-2.1143
30	W	A	-1.4180
31	K	A	-1.5017
32	W	A	0.1118
33	I	A	0.0000
34	H	A	-1.4959
35	E	A	-1.9025
36	P	A	-1.8381
37	K	A	-2.9714
38	G	A	0.0000
39	Y	A	0.0000
40	H	A	-0.8131
41	A	A	0.0000
42	N	A	0.0000
43	F	A	0.8950
44	C	A	0.0000
45	L	A	0.5574
46	G	A	-0.7142
47	P	A	-0.4010
48	C	A	0.0000
49	P	A	0.8474
50	Y	A	1.6393
51	I	A	2.3218
52	W	A	0.9641
53	S	A	-0.0477
54	L	A	-0.5112
55	D	A	-2.1157
56	T	A	-1.1016
57	Q	A	-0.8462
58	Y	A	0.7266
59	S	A	0.0000
60	K	A	0.4266
61	V	A	1.9114
62	L	A	1.4245
63	A	A	0.0000
64	L	A	0.6724
65	Y	A	0.7753
66	N	A	-0.5478
67	Q	A	-1.2524
68	H	A	-1.6082
69	N	A	-1.6621
70	P	A	-1.3624
71	G	A	-1.1304
72	A	A	-0.8420
73	S	A	-0.3941
74	A	A	0.0660
75	A	A	0.3052
76	P	A	0.7458
77	C	A	0.7680
78	C	A	0.0000
79	V	A	0.4943
80	P	A	-0.5539
81	Q	A	-1.4940
82	A	A	-1.3215
83	L	A	-1.1393
84	E	A	-1.7397
85	P	A	-1.3604
86	L	A	0.0000
87	P	A	-0.8900
88	I	A	0.0000
89	V	A	-0.1775
90	Y	A	0.0000
91	Y	A	0.8518
92	V	A	0.9554
93	G	A	-0.6112
94	R	A	-2.1505
95	K	A	-2.0880
96	P	A	-0.6772
97	K	A	-0.4183
98	V	A	0.4664
99	E	A	-1.1631
100	Q	A	-1.6804
101	L	A	-0.9322
102	S	A	-1.2740
103	N	A	-1.6959
104	M	A	-0.8390
105	I	A	-0.6042
106	V	A	0.0000
107	R	A	-2.3804
108	S	A	-1.3748
109	C	A	0.0000
110	K	A	-0.9778
111	C	A	0.0000
112	S	A	-0.5371