Project name: A3D_1CRN_20260228

Chain sequence(s)	A: TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -1.9885
• Maximal score value: 2.3201
• Average score: 0.2148
• Total score value: 9.8812

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	T	A	0.3656
2	T	A	0.5653
3	C	A	0.0000
4	C	A	0.0000
5	P	A	-0.1020
6	S	A	0.8891
7	I	A	2.3201
8	V	A	2.1100
9	A	A	0.0000
10	R	A	0.1576
11	S	A	0.1549
12	N	A	-0.4126
13	F	A	0.0000
14	N	A	-0.8720
15	V	A	0.8930
16	C	A	0.3749
17	R	A	-0.2257
18	L	A	1.2639
19	P	A	0.2127
20	G	A	-0.2933
21	T	A	-0.0491
22	P	A	-0.4944
23	E	A	-0.2853
24	A	A	0.7222
25	I	A	1.0709
26	C	A	0.0000
27	A	A	0.7842
28	T	A	0.9913
29	Y	A	1.2586
30	T	A	0.3981
31	G	A	-0.0159
32	C	A	0.0000
33	I	A	1.2236
34	I	A	1.6414
35	I	A	0.9293
36	P	A	0.0266
37	G	A	-0.1787
38	A	A	0.0164
39	T	A	-0.0862
40	C	A	-0.0227
41	P	A	-0.8088
42	G	A	-1.3405
43	D	A	-1.9885
44	Y	A	-0.6744
45	A	A	-0.5730
46	N	A	-0.0654