Project name: query_structure

Chain sequence(s)	A: AGGERVYLPNLNADQLCAFIRSLEDDPSQSANLLAEAKKLNDAQAPASSSSGSSSSGRASAGGERVYLPNLNADQLCAFIRSLEDDPSQSANLLAEAKKLNDAQAPK
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                                          (00:01:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:12)

• Minimal score value: -4.2081
• Maximal score value: 0.39
• Average score: -1.6065
• Total score value: -171.8959

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	-0.5466
2	G	A	-1.4477
3	G	A	-2.3435
4	E	A	-2.8078
5	R	A	-2.6945
6	V	A	-0.7415
7	Y	A	0.3900
8	L	A	0.0000
9	P	A	-0.1665
10	N	A	-0.8178
11	L	A	0.0000
12	N	A	-1.1974
13	A	A	-1.2816
14	D	A	-2.0041
15	Q	A	-1.1601
16	L	A	0.0000
17	C	A	-1.2995
18	A	A	-1.0419
19	F	A	-1.0061
20	I	A	-1.8917
21	R	A	-3.0757
22	S	A	-2.6077
23	L	A	-2.7273
24	E	A	-3.9865
25	D	A	-4.2081
26	D	A	-3.8968
27	P	A	-2.7845
28	S	A	-1.8976
29	Q	A	-2.2970
30	S	A	-1.6812
31	A	A	-0.9213
32	N	A	-1.6785
33	L	A	-1.3958
34	L	A	-1.0358
35	A	A	-1.5146
36	E	A	-2.2344
37	A	A	0.0000
38	K	A	-2.2746
39	K	A	-2.9800
40	L	A	-1.7673
41	N	A	0.0000
42	D	A	-2.8021
43	A	A	-1.5309
44	Q	A	-1.3062
45	A	A	-1.1362
46	P	A	-0.6630
47	A	A	-0.6187
48	S	A	-0.4300
49	S	A	-0.4825
50	S	A	-0.5580
51	S	A	-0.6577
52	G	A	-0.7633
53	S	A	-0.6454
54	S	A	-0.5770
55	S	A	-0.5805
56	S	A	-1.0056
57	G	A	-1.5942
58	R	A	-2.1701
59	A	A	-1.1970
60	S	A	-1.2836
61	A	A	-0.8506
62	G	A	-1.3826
63	G	A	-2.0709
64	E	A	-2.6898
65	R	A	-2.4418
66	V	A	-0.8017
67	Y	A	0.3625
68	L	A	0.0000
69	P	A	-0.0093
70	N	A	-0.8548
71	L	A	0.0000
72	N	A	-1.4685
73	A	A	-1.3195
74	D	A	-2.0739
75	Q	A	-1.2427
76	L	A	-0.9268
77	C	A	-1.3219
78	A	A	-1.1715
79	F	A	0.0000
80	I	A	-1.9796
81	R	A	-3.2385
82	S	A	-2.5979
83	L	A	-2.7920
84	E	A	-4.1403
85	D	A	-4.1967
86	D	A	-3.8639
87	P	A	-2.7800
88	S	A	-1.9295
89	Q	A	-2.3803
90	S	A	-1.8731
91	A	A	-1.0137
92	N	A	-1.8083
93	L	A	-1.6541
94	L	A	-1.4029
95	A	A	-1.8484
96	E	A	-2.7914
97	A	A	0.0000
98	K	A	-2.7691
99	K	A	-3.3310
100	L	A	-2.0598
101	N	A	-2.1546
102	D	A	-3.2317
103	A	A	-1.8855
104	Q	A	-1.7238
105	A	A	-1.6406
106	P	A	-1.4519
107	K	A	-2.0685