Project name: N-protein

Chain sequence(s)	A: QPQKCQREFQQEQHLRACQQWIRQQLAGSPFSENQWGPQQGPSLREQCCNELYQEDQVCVCPTLKQAAKSVRVQGQHGPFQSTRIYQIAKNLPNVCNMKQIGTCPFIAI
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]                                                (00:00:00)
[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 minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:45)

• Minimal score value: -4.325
• Maximal score value: 2.4135
• Average score: -1.0579
• Total score value: -115.316

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	Q	A	-1.7683
2	P	A	-1.7206
3	Q	A	-2.8952
4	K	A	-3.2755
5	C	A	0.0000
6	Q	A	-3.1644
7	R	A	-4.3250
8	E	A	-3.9113
9	F	A	0.0000
10	Q	A	-3.7508
11	Q	A	-3.8618
12	E	A	-4.0491
13	Q	A	-3.6665
14	H	A	-2.7475
15	L	A	0.0000
16	R	A	-2.8771
17	A	A	-2.2937
18	C	A	0.0000
19	Q	A	-1.9198
20	Q	A	-2.0673
21	W	A	0.0000
22	I	A	0.0000
23	R	A	-1.6007
24	Q	A	-1.5314
25	Q	A	-1.2742
26	L	A	-0.9725
27	A	A	-0.6949
28	G	A	-0.6387
29	S	A	-0.2850
30	P	A	0.0848
31	F	A	0.8872
32	S	A	-0.9075
33	E	A	-2.3029
34	N	A	-2.3421
35	Q	A	-1.8822
36	W	A	-0.1427
37	G	A	-1.0110
38	P	A	-1.0730
39	Q	A	-1.7357
40	Q	A	-1.5261
41	G	A	-1.3821
42	P	A	-1.6057
43	S	A	-1.3791
44	L	A	-1.7766
45	R	A	-2.3655
46	E	A	-2.7627
47	Q	A	-2.5979
48	C	A	0.0000
49	C	A	0.0000
50	N	A	-2.1923
51	E	A	-1.8672
52	L	A	0.0000
53	Y	A	-0.8875
54	Q	A	-1.6911
55	E	A	-1.4613
56	D	A	-1.8135
57	Q	A	-1.0639
58	V	A	0.1558
59	C	A	-0.9964
60	V	A	0.0000
61	C	A	-0.2733
62	P	A	-0.5273
63	T	A	0.0000
64	L	A	0.0000
65	K	A	-0.5310
66	Q	A	-1.1122
67	A	A	0.0000
68	A	A	0.0000
69	K	A	-0.8382
70	S	A	-0.8145
71	V	A	0.0000
72	R	A	-1.2629
73	V	A	0.1639
74	Q	A	-1.1668
75	G	A	-1.2225
76	Q	A	-1.4459
77	H	A	-0.9052
78	G	A	-0.1761
79	P	A	0.2709
80	F	A	1.2855
81	Q	A	-0.4329
82	S	A	0.0000
83	T	A	0.1644
84	R	A	-1.1688
85	I	A	0.0000
86	Y	A	0.0000
87	Q	A	-1.3069
88	I	A	0.0000
89	A	A	0.0000
90	K	A	-1.2511
91	N	A	-1.4651
92	L	A	0.0000
93	P	A	0.0000
94	N	A	-2.4378
95	V	A	-1.4019
96	C	A	0.0000
97	N	A	-2.2640
98	M	A	0.0000
99	K	A	-2.9373
100	Q	A	-2.3816
101	I	A	-1.2617
102	G	A	-1.8353
103	T	A	-1.0897
104	C	A	0.0000
105	P	A	0.1062
106	F	A	0.9757
107	I	A	2.3127
108	A	A	1.4307
109	I	A	2.4135