Project name: 58550dbe6392282

Chain sequence(s)	A: LSCGQVNSALAPCITFLTKGGVPSGPCCSGVRGLLGAAKTTADRQAACNCLKAAAGSLHGLNQGNAAALPGRCGVSIPYKISTSTNCATIKF
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -2.0723
• Maximal score value: 0.8919
• Average score: -0.7024
• Total score value: -64.62

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	L	A	-0.1321
2	S	A	-0.4051
3	C	A	-0.5299
4	G	A	-1.1845
5	Q	A	-1.5353
6	V	A	0.0000
7	N	A	-1.3991
8	S	A	-1.0943
9	A	A	-1.0121
10	L	A	-0.2623
11	A	A	-0.0328
12	P	A	-0.0958
13	C	A	0.0000
14	I	A	0.6124
15	T	A	-0.0451
16	F	A	0.0000
17	L	A	0.0000
18	T	A	-1.3982
19	K	A	-1.7727
20	G	A	-0.8558
21	G	A	-0.0958
22	V	A	0.8919
23	P	A	0.0000
24	S	A	-0.0041
25	G	A	-0.5081
26	P	A	-0.7686
27	C	A	0.0000
28	C	A	0.0000
29	S	A	-1.0894
30	G	A	-1.1550
31	V	A	0.0000
32	R	A	-1.9549
33	G	A	-1.2384
34	L	A	-0.8571
35	L	A	-0.6416
36	G	A	-1.0954
37	A	A	-0.9264
38	A	A	0.0000
39	K	A	-1.3806
40	T	A	-0.7445
41	T	A	-0.5328
42	A	A	-0.4665
43	D	A	-0.7945
44	R	A	-0.8564
45	Q	A	-0.9939
46	A	A	-0.5346
47	A	A	0.0000
48	C	A	0.0000
49	N	A	-1.6288
50	C	A	0.0000
51	L	A	-0.5679
52	K	A	-1.2068
53	A	A	-0.7006
54	A	A	-0.5796
55	A	A	-0.8438
56	G	A	-0.7314
57	S	A	-0.6109
58	L	A	-0.4238
59	H	A	-1.2466
60	G	A	-1.3289
61	L	A	-1.3085
62	N	A	-2.0723
63	Q	A	-1.8340
64	G	A	-1.3186
65	N	A	-1.3401
66	A	A	-0.8447
67	A	A	-1.1236
68	A	A	-1.0973
69	L	A	0.0000
70	P	A	0.0000
71	G	A	-1.4338
72	R	A	-1.8746
73	C	A	0.0000
74	G	A	-1.3742
75	V	A	-0.7980
76	S	A	-0.4912
77	I	A	-0.0208
78	P	A	-0.2784
79	Y	A	-0.8062
80	K	A	-1.3890
81	I	A	-0.6817
82	S	A	-0.9742
83	T	A	-1.0599
84	S	A	-0.8252
85	T	A	-1.2367
86	N	A	-1.5880
87	C	A	0.0000
88	A	A	-0.9098
89	T	A	-0.8534
90	I	A	0.0000
91	K	A	-0.9220
92	F	A	0.5947