Project name: 283dc1e37e80bfb

Chain sequence(s)	A: SKIKGSRHWGFILGKRGEPPPGKPADDAGLVKRGSRHWGFILGKRGEPPPGKPADDAGLVKRGSRHWGFILGKRGEPPPGKPADDAGLVKRGSRHWGFILGKRGEPPPGKPADDAGLV
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:25)

• Minimal score value: -4.5082
• Maximal score value: 3.0799
• Average score: -1.5665
• Total score value: -184.8522

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	S	A	-0.9322
2	K	A	-1.9276
3	I	A	-1.0218
4	K	A	-2.4717
5	G	A	-2.5423
6	S	A	-2.1709
7	R	A	-2.7323
8	H	A	-1.4957
9	W	A	0.6803
10	G	A	1.3736
11	F	A	3.0799
12	I	A	1.8158
13	L	A	1.4821
14	G	A	-1.2697
15	K	A	-2.9504
16	R	A	-3.4803
17	G	A	-3.0551
18	E	A	-3.3027
19	P	A	-2.2365
20	P	A	-1.4526
21	P	A	-1.1385
22	G	A	-1.3004
23	K	A	-1.8457
24	P	A	-1.1593
25	A	A	-1.9969
26	D	A	-2.7424
27	D	A	-2.5725
28	A	A	-1.3489
29	G	A	-0.7362
30	L	A	0.2421
31	V	A	-1.1434
32	K	A	-2.9549
33	R	A	-3.6245
34	G	A	-3.3788
35	S	A	-2.8645
36	R	A	-2.9878
37	H	A	-1.6558
38	W	A	0.3239
39	G	A	1.1071
40	F	A	2.2345
41	I	A	1.1188
42	L	A	0.8108
43	G	A	-1.5245
44	K	A	-3.9722
45	R	A	-3.9182
46	G	A	-3.2703
47	E	A	-3.2557
48	P	A	-2.3217
49	P	A	-1.7271
50	P	A	-1.1872
51	G	A	-1.0835
52	K	A	-1.4462
53	P	A	-1.2795
54	A	A	-1.9284
55	D	A	-2.5868
56	D	A	-2.9858
57	A	A	-1.2966
58	G	A	-0.4722
59	L	A	0.4684
60	V	A	-1.1311
61	K	A	-2.9250
62	R	A	-4.1455
63	G	A	-3.5690
64	S	A	0.0000
65	R	A	-2.6704
66	H	A	-1.7050
67	W	A	0.1083
68	G	A	0.7526
69	F	A	1.4538
70	I	A	0.0000
71	L	A	-0.2895
72	G	A	-2.5335
73	K	A	-4.5082
74	R	A	-4.2481
75	G	A	-3.0205
76	E	A	-3.4327
77	P	A	-2.0395
78	P	A	-1.7612
79	P	A	-1.3877
80	G	A	-1.3162
81	K	A	-2.1304
82	P	A	-1.6267
83	A	A	-2.0011
84	D	A	-3.4558
85	D	A	-2.8041
86	A	A	-0.9750
87	G	A	-0.2389
88	L	A	1.3323
89	V	A	-0.2884
90	K	A	-1.9667
91	R	A	-3.0183
92	G	A	-2.9116
93	S	A	-3.2013
94	R	A	-3.3979
95	H	A	-2.0337
96	W	A	-0.5126
97	G	A	0.2262
98	F	A	1.0854
99	I	A	0.0000
100	L	A	-0.5923
101	G	A	-2.3717
102	K	A	-3.7148
103	R	A	-3.3256
104	G	A	-2.6162
105	E	A	-3.0320
106	P	A	-1.8682
107	P	A	-1.4527
108	P	A	-1.2400
109	G	A	-1.4777
110	K	A	-2.1516
111	P	A	-2.0345
112	A	A	-2.0580
113	D	A	-3.3276
114	D	A	-3.0342
115	A	A	-1.6871
116	G	A	-0.2041
117	L	A	1.4506
118	V	A	2.1834