Project name: NTP

Chain sequence(s)	B: ARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKG
Selected Chain(s)	B
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 B 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                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.9385
• Maximal score value: 3.0145
• Average score: -0.1097
• Total score value: -8.6691

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	A	B	-0.7236
2	R	B	-1.2169
3	P	B	-0.5636
4	C	B	0.7326
5	I	B	2.4946
7	K	B	0.3451
8	S	B	1.0478
9	F	B	2.1093
10	G	B	1.0484
11	Y	B	1.7649
12	S	B	0.5182
13	S	B	0.6295
14	V	B	2.3733
15	V	B	2.7575
16	C	B	2.5071
17	V	B	1.9470
18	C	B	1.1560
19	N	B	-0.4875
20	A	B	-0.1890
21	T	B	0.1189
22	Y	B	0.3388
23	C	B	0.3635
24	D	B	-0.1377
25	S	B	-0.2411
26	F	B	0.5360
27	D	B	-1.0454
28	P	B	-0.6501
29	P	B	-0.1951
30	T	B	0.4098
31	F	B	2.1794
32	P	B	1.5479
33	A	B	1.2991
34	L	B	2.0035
35	G	B	0.9589
36	T	B	1.5328
37	F	B	1.7538
38	S	B	0.4275
39	R	B	-1.2978
40	Y	B	-0.8366
41	E	B	-2.0167
42	S	B	-2.3392
43	T	B	-2.4967
44	R	B	-2.6498
45	S	B	-1.9018
46	G	B	-2.0753
47	R	B	-3.9385
48	R	B	-3.4585
49	M	B	-1.6872
50	E	B	-2.6186
51	L	B	-0.6436
52	S	B	-0.2482
53	M	B	0.6468
54	G	B	0.4506
55	P	B	0.8991
56	I	B	1.4967
57	Q	B	-0.8584
58	A	B	-0.9165
59	N	B	-1.8816
60	H	B	-1.9906
61	T	B	-1.0725
62	G	B	-0.7427
63	T	B	-0.1103
64	G	B	0.7131
65	L	B	2.3630
66	L	B	3.0145
67	L	B	2.8305
68	T	B	1.6844
69	L	B	1.1919
70	Q	B	-1.4279
71	P	B	-1.9937
72	E	B	-2.9053
73	Q	B	-2.8775
74	K	B	-2.4744
75	F	B	-0.2971
76	Q	B	-1.2425
77	K	B	-1.6942
78	V	B	-0.2666
79	K	B	-1.4456
80	G	B	-1.0050