Project name: 977def9e6e0d433

Chain sequence(s)	A: PPRRPRPPAAPCEGQLPPPPLPPRASRPPPPPQPPPWTRTTRPRASLSLPRPPPAPPRSPLPPPGPTKPGSRPPPPAPAAAAAVPASRPGREGGRGVSLG
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                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -3.4958
• Maximal score value: 1.689
• Average score: -0.9521
• Total score value: -95.2079

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	P	A	-1.0874
2	P	A	-1.7829
3	R	A	-3.2459
4	R	A	-3.4644
5	P	A	-2.6447
6	R	A	-2.8761
7	P	A	-1.5551
8	P	A	-0.8672
9	A	A	-0.3320
10	A	A	-0.2250
11	P	A	-0.5211
12	C	A	-0.6480
13	E	A	-1.8603
14	G	A	-1.3246
15	Q	A	-1.0779
16	L	A	0.3463
17	P	A	-0.1124
18	P	A	-0.1094
19	P	A	0.0381
20	P	A	0.1729
21	L	A	0.8104
22	P	A	-0.2274
23	P	A	-0.9326
24	R	A	-2.0892
25	A	A	-1.6053
26	S	A	-1.7519
27	R	A	-2.4478
28	P	A	-1.4248
29	P	A	-1.1164
30	P	A	-1.0947
31	P	A	-0.9493
32	P	A	-1.1502
33	Q	A	-1.6149
34	P	A	-1.1142
35	P	A	-0.6181
36	P	A	-0.4299
37	W	A	0.3594
38	T	A	-0.5777
39	R	A	-1.9046
40	T	A	-1.4260
41	T	A	-1.7829
42	R	A	-2.8178
43	P	A	-2.0998
44	R	A	-2.3247
45	A	A	-0.8774
46	S	A	0.1391
47	L	A	1.5429
48	S	A	0.8792
49	L	A	1.2503
50	P	A	-0.3470
51	R	A	-1.8161
52	P	A	-1.1672
53	P	A	-1.0299
54	P	A	-0.7836
55	A	A	-0.6642
56	P	A	-0.9789
57	P	A	-1.3939
58	R	A	-1.9499
59	S	A	-0.9657
60	P	A	-0.2244
61	L	A	0.8402
62	P	A	0.1346
63	P	A	-0.3021
64	P	A	-0.5080
65	G	A	-1.0750
66	P	A	-1.1042
67	T	A	-1.5926
68	K	A	-2.3896
69	P	A	-1.6914
70	G	A	-1.7277
71	S	A	-1.9617
72	R	A	-2.5536
73	P	A	-1.4855
74	P	A	-1.0553
75	P	A	-0.8537
76	P	A	-0.5079
77	A	A	-0.2686
78	P	A	-0.2749
79	A	A	-0.0368
80	A	A	0.0798
81	A	A	0.3800
82	A	A	0.6040
83	A	A	0.9133
84	V	A	1.6890
85	P	A	0.3510
86	A	A	-0.2164
87	S	A	-1.0198
88	R	A	-2.4742
89	P	A	-2.1211
90	G	A	-2.5866
91	R	A	-3.4958
92	E	A	-3.4743
93	G	A	-2.7659
94	G	A	-2.2495
95	R	A	-2.2007
96	G	A	-0.5454
97	V	A	1.2519
98	S	A	0.9210
99	L	A	1.6302
100	G	A	0.4296