Project name: SY7 (cryptic)

Chain sequence(s)	A: MYRDPEAASPGAPSRDVLLVSAIITVSLSVTVVLCGLCHWCQRKLGKRYKNSLETVGTPDSGRGRSEKKAINFPGARLQSAACRLPPFCVASRPSSACVCAL
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -3.9583
• Maximal score value: 4.7962
• Average score: 0.1477
• Total score value: 15.0644

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	M	A	1.0085
2	Y	A	0.6410
3	R	A	-1.7711
4	D	A	-2.1614
5	P	A	-2.2020
6	E	A	-2.8136
7	A	A	-1.4539
8	A	A	-0.7783
9	S	A	-0.6955
10	P	A	-0.5646
11	G	A	-0.6918
12	A	A	-0.6785
13	P	A	-0.5528
14	S	A	-0.8823
15	R	A	-1.6470
16	D	A	-0.6479
17	V	A	1.8732
18	L	A	2.1760
19	L	A	2.8322
20	V	A	3.7491
21	S	A	2.8733
22	A	A	3.4346
23	I	A	4.7962
24	I	A	4.2457
25	T	A	3.1915
26	V	A	3.9925
27	S	A	3.3516
28	L	A	3.9577
29	S	A	3.5769
30	V	A	3.8108
31	T	A	3.7229
32	V	A	4.3264
33	V	A	4.3112
34	L	A	4.0872
35	C	A	2.9268
36	G	A	2.2642
37	L	A	2.5010
38	C	A	1.3476
39	H	A	-0.4374
40	W	A	0.1387
41	C	A	-0.8949
42	Q	A	-2.2984
43	R	A	-3.0624
44	K	A	-2.6374
45	L	A	-2.3418
46	G	A	-2.9004
47	K	A	-3.9583
48	R	A	-3.4418
49	Y	A	-1.6124
50	K	A	-2.7817
51	N	A	-2.7738
52	S	A	-1.3257
53	L	A	0.2090
54	E	A	-1.3115
55	T	A	0.2639
56	V	A	1.3158
57	G	A	0.2053
58	T	A	-0.6364
59	P	A	-1.4234
60	D	A	-2.3643
61	S	A	-1.9199
62	G	A	-2.3713
63	R	A	-3.0079
64	G	A	-2.8057
65	R	A	-3.1028
66	S	A	-2.5708
67	E	A	-3.6276
68	K	A	-3.5193
69	K	A	-2.5987
70	A	A	-0.2392
71	I	A	1.5102
72	N	A	0.3539
73	F	A	1.3689
74	P	A	0.2284
75	G	A	-0.4332
76	A	A	-0.7659
77	R	A	-1.4364
78	L	A	-0.0419
79	Q	A	-1.2192
80	S	A	-1.0288
81	A	A	-0.3834
82	A	A	0.0191
83	C	A	0.2586
84	R	A	-0.9157
85	L	A	1.1653
86	P	A	1.0037
87	P	A	1.3752
88	F	A	3.0064
89	C	A	2.4900
90	V	A	2.2105
91	A	A	1.2852
92	S	A	-0.1952
93	R	A	-1.5513
94	P	A	-1.0304
95	S	A	-0.7982
96	S	A	-0.0700
97	A	A	1.0016
98	C	A	1.4943
99	V	A	2.5798
100	C	A	2.1712
101	A	A	1.6819
102	L	A	2.1049