Project name: c9b9735a42f3f7

Chain sequence(s)	A: MASLLLGTPSMACHSVSFSFSHSQSVAGVSLSSPPTLSLSSSVSTSPALPLIYCGRGDRKTAKGKRFNHSFGNARPKNKNKGRGPPKAPIFPKGDPSQKED
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
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             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -4.3538
• Maximal score value: 3.7485
• Average score: -0.4634
• Total score value: -46.8082

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	1.1918
2	A	A	0.8970
3	S	A	1.3739
4	L	A	2.6738
5	L	A	2.8902
6	L	A	2.4378
7	G	A	0.7177
8	T	A	-0.0688
9	P	A	-0.2373
10	S	A	0.2097
11	M	A	0.9728
12	A	A	0.5574
13	C	A	0.6946
14	H	A	-0.1288
15	S	A	0.5496
16	V	A	1.8900
17	S	A	1.5723
18	F	A	2.6804
19	S	A	1.6428
20	F	A	1.9306
21	S	A	0.2289
22	H	A	-1.0196
23	S	A	-1.1491
24	Q	A	-1.2981
25	S	A	-0.0515
26	V	A	1.3292
27	A	A	1.0129
28	G	A	0.9295
29	V	A	1.8182
30	S	A	1.2104
31	L	A	1.6552
32	S	A	0.5003
33	S	A	-0.1378
34	P	A	-0.1527
35	P	A	-0.0269
36	T	A	0.5988
37	L	A	1.7336
38	S	A	1.1477
39	L	A	1.7101
40	S	A	0.7467
41	S	A	0.4686
42	S	A	0.6118
43	V	A	1.4298
44	S	A	0.4267
45	T	A	0.3272
46	S	A	0.2652
47	P	A	0.2052
48	A	A	0.7892
49	L	A	2.1414
50	P	A	2.0140
51	L	A	3.3334
52	I	A	3.7485
53	Y	A	2.4400
54	C	A	1.0052
55	G	A	-1.1611
56	R	A	-2.7783
57	G	A	-1.9836
58	D	A	-1.9068
59	R	A	-3.4666
60	K	A	-3.4545
61	T	A	-2.7412
62	A	A	-2.2401
63	K	A	-3.4411
64	G	A	0.0000
65	K	A	-3.0488
66	R	A	-2.7495
67	F	A	-1.1959
68	N	A	-1.9967
69	H	A	-1.5293
70	S	A	-0.8618
71	F	A	-0.2533
72	G	A	-1.5782
73	N	A	-2.8136
74	A	A	-2.3225
75	R	A	-2.6975
76	P	A	-2.9166
77	K	A	-2.9963
78	N	A	-3.6677
79	K	A	-4.0132
80	N	A	-3.7730
81	K	A	-4.3538
82	G	A	-3.5384
83	R	A	-3.7799
84	G	A	-2.3175
85	P	A	-1.5216
86	P	A	-1.6362
87	K	A	-1.6575
88	A	A	-0.2437
89	P	A	0.7706
90	I	A	2.3002
91	F	A	2.2224
92	P	A	-0.0402
93	K	A	-1.7450
94	G	A	-2.2229
95	D	A	-3.0941
96	P	A	-2.2816
97	S	A	-2.2687
98	Q	A	-3.3235
99	K	A	-3.8592
100	E	A	-3.8455
101	D	A	-3.2244