Project name: cry1

Chain sequence(s)	A: DEFRRRIDELLDEILELQKEMGTEEEIQPHVERFRQSLEDPDNLPPFHEVFNATVTLNLIKLDSGKEESKEGNEKLREIVERLLELLKEEGGPQEHIDWLEESLKQMKKDLEE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:03:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:15)

• Minimal score value: -4.5957
• Maximal score value: 0.8969
• Average score: -1.9986
• Total score value: -225.8444

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	D	A	-3.4696
2	E	A	-4.0755
3	F	A	-3.2524
4	R	A	-3.5425
5	R	A	-4.5957
6	R	A	-4.4002
7	I	A	0.0000
8	D	A	-3.3279
9	E	A	-3.7902
10	L	A	0.0000
11	L	A	0.0000
12	D	A	-3.0698
13	E	A	-2.7033
14	I	A	0.0000
15	L	A	-2.8279
16	E	A	-3.4869
17	L	A	0.0000
18	Q	A	0.0000
19	K	A	-4.0676
20	E	A	-3.2039
21	M	A	-2.2390
22	G	A	-2.5866
23	T	A	0.0000
24	E	A	-3.3934
25	E	A	-3.4831
26	E	A	-3.3003
27	I	A	0.0000
28	Q	A	-2.7791
29	P	A	-2.1433
30	H	A	-2.1036
31	V	A	0.0000
32	E	A	-2.4492
33	R	A	-2.4462
34	F	A	0.0000
35	R	A	-1.9551
36	Q	A	-2.5181
37	S	A	0.0000
38	L	A	-1.8305
39	E	A	-3.0430
40	D	A	-3.3316
41	P	A	-2.4361
42	D	A	-2.8671
43	N	A	-2.6275
44	L	A	-1.1174
45	P	A	0.0000
46	P	A	-0.9971
47	F	A	0.0000
48	H	A	-2.4816
49	E	A	-2.3708
50	V	A	0.0000
51	F	A	0.0000
52	N	A	-1.7302
53	A	A	-0.8379
54	T	A	0.0000
55	V	A	0.0000
56	T	A	0.3163
57	L	A	0.1989
58	N	A	0.0000
59	L	A	-0.5288
60	I	A	0.8969
61	K	A	-0.9901
62	L	A	-1.7413
63	D	A	-2.8652
64	S	A	-1.8506
65	G	A	-2.7836
66	K	A	-3.9955
67	E	A	-4.4779
68	E	A	-4.4228
69	S	A	0.0000
70	K	A	-4.2150
71	E	A	-4.4503
72	G	A	0.0000
73	N	A	0.0000
74	E	A	-3.9807
75	K	A	-3.6134
76	L	A	0.0000
77	R	A	-3.1914
78	E	A	-3.4515
79	I	A	0.0000
80	V	A	0.0000
81	E	A	-3.0851
82	R	A	-2.5438
83	L	A	0.0000
84	L	A	0.0000
85	E	A	-3.7210
86	L	A	0.0000
87	L	A	0.0000
88	K	A	-4.1665
89	E	A	-4.1492
90	E	A	-3.8706
91	G	A	-2.8749
92	G	A	-2.1515
93	P	A	-1.6341
94	Q	A	-2.2868
95	E	A	-1.8905
96	H	A	0.0000
97	I	A	-2.4177
98	D	A	-2.8262
99	W	A	-2.4699
100	L	A	0.0000
101	E	A	-3.3446
102	E	A	-3.6971
103	S	A	0.0000
104	L	A	0.0000
105	K	A	-3.5511
106	Q	A	-3.2098
107	M	A	0.0000
108	K	A	-3.5305
109	K	A	-3.8361
110	D	A	-2.8031
111	L	A	-2.7870
112	E	A	-3.6730
113	E	A	-3.2971