Project name: Npl3 RRM 1.2

Chain sequence(s)	A: ELSNTRLFVRPFPLDVQESELNEIFGPFGPMKEVKILNGFAFVEFEEAESAAKAIEEVHGKSFANQPLEVVYSKLPA
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:38)

• Minimal score value: -3.1348
• Maximal score value: 0.9744
• Average score: -1.0497
• Total score value: -80.8234

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
28	E	A	-1.4290
29	L	A	-0.2956
30	S	A	-0.7208
31	N	A	-1.7948
32	T	A	-1.3346
33	R	A	-0.9862
34	L	A	0.0000
35	F	A	-0.1171
36	V	A	0.0000
37	R	A	-0.0734
38	P	A	-0.6880
39	F	A	0.0000
40	P	A	-0.2730
41	L	A	0.2614
42	D	A	-1.6346
43	V	A	0.0000
44	Q	A	-2.3279
45	E	A	-2.9830
46	S	A	-2.5022
47	E	A	-2.7651
48	L	A	0.0000
49	N	A	-3.1348
50	E	A	-3.0721
51	I	A	-1.7281
52	F	A	0.0000
53	G	A	-1.7829
54	P	A	-1.4306
55	F	A	0.0000
56	G	A	-1.0732
57	P	A	-1.5306
58	M	A	-1.6270
59	K	A	-1.9907
60	E	A	-2.5619
61	V	A	-1.4500
62	K	A	-0.8639
63	I	A	0.1400
64	L	A	0.7813
65	N	A	-0.3759
66	G	A	0.0000
67	F	A	0.9744
68	A	A	0.0000
69	F	A	0.0000
70	V	A	0.0000
71	E	A	-1.7387
72	F	A	0.0000
73	E	A	-3.0178
74	E	A	-2.5045
75	A	A	-2.0477
76	E	A	-2.6082
77	S	A	0.0000
78	A	A	0.0000
79	A	A	-1.8491
80	K	A	-2.4469
81	A	A	0.0000
82	I	A	-1.8076
83	E	A	-3.0278
84	E	A	-3.1055
85	V	A	0.0000
86	H	A	-1.7921
87	G	A	-1.7521
88	K	A	-1.9935
89	S	A	-1.3335
90	F	A	-0.4144
91	A	A	-0.6247
92	N	A	-1.6138
93	Q	A	-1.9316
94	P	A	-1.5673
95	L	A	0.0000
96	E	A	-0.7239
97	V	A	0.0000
98	V	A	-0.2153
99	Y	A	-0.3312
100	S	A	0.0000
101	K	A	-1.2796
102	L	A	-0.2544
103	P	A	-0.2007
104	A	A	-0.2516