Project name: Npl3-RRM1

Chain sequence(s)	A: ELSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYSK
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                                          (00:01:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:50)

• Minimal score value: -4.1128
• Maximal score value: 0.9999
• Average score: -1.3081
• Total score value: -96.7997

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
7	E	A	-1.5883
8	L	A	-0.1961
9	S	A	-1.1190
10	N	A	-2.3069
11	T	A	-2.6149
12	R	A	-1.8911
13	L	A	0.0000
14	F	A	0.3195
15	V	A	0.0000
16	R	A	-0.2134
17	P	A	0.1348
18	F	A	0.0000
19	P	A	-0.4755
20	L	A	0.2675
21	D	A	-1.6617
22	V	A	0.0000
23	Q	A	-2.5713
24	E	A	-3.1656
25	S	A	-2.3897
26	E	A	-2.4305
27	L	A	0.0000
28	N	A	-1.9633
29	E	A	-2.4446
30	I	A	-1.1217
31	F	A	0.0000
32	G	A	-1.0038
33	P	A	-0.5514
34	F	A	-0.8065
35	G	A	-1.4044
36	P	A	-1.8079
37	M	A	-2.2497
38	K	A	-3.6616
39	E	A	-3.3688
40	V	A	-2.0430
41	K	A	-1.2998
42	I	A	-0.4885
43	L	A	0.0091
44	N	A	-0.5729
45	G	A	-0.0825
46	F	A	0.9999
47	A	A	0.0000
48	F	A	0.0051
49	V	A	0.0000
50	E	A	-2.6639
51	F	A	0.0000
52	E	A	-4.1128
53	E	A	-3.5143
54	A	A	-2.8349
55	E	A	-3.0501
56	S	A	0.0000
57	A	A	0.0000
58	A	A	-2.2995
59	K	A	-3.0486
60	A	A	0.0000
61	I	A	-2.1033
62	E	A	-3.4694
63	E	A	-3.6342
64	V	A	0.0000
65	H	A	-2.8894
66	G	A	-2.4017
67	K	A	-2.3879
68	S	A	-1.5376
69	F	A	-0.9672
70	A	A	-0.9455
71	N	A	-1.7241
72	Q	A	-1.9612
73	P	A	-1.7637
74	L	A	0.0000
75	E	A	-2.1100
76	V	A	0.0000
77	V	A	0.2566
78	Y	A	-0.1365
79	S	A	0.0000
80	K	A	-1.7420