Project name: c834cbee2349fc9

Chain sequence(s)	A: PYNKINQRILVVDPVTSEHELTCQAEGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELV
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -4.4118
• Maximal score value: 2.3242
• Average score: -0.9332
• Total score value: -86.7872

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	P	A	-1.1013
2	Y	A	0.0000
3	N	A	-2.5279
4	K	A	-2.7390
5	I	A	-2.0824
6	N	A	-2.6232
7	Q	A	-2.5735
8	R	A	-1.7316
9	I	A	1.3295
10	L	A	2.1517
11	V	A	2.3242
12	V	A	1.4247
13	D	A	0.5905
14	P	A	0.6223
15	V	A	1.4985
16	T	A	0.4007
17	S	A	0.0163
18	E	A	-0.4560
19	H	A	0.1828
20	E	A	-0.1048
21	L	A	0.0000
22	T	A	0.0000
23	C	A	0.0000
24	Q	A	-1.4029
25	A	A	0.0000
26	E	A	-1.4354
27	G	A	0.0000
28	Y	A	0.4595
29	P	A	-0.3337
30	K	A	-1.5868
31	A	A	0.0000
32	E	A	-1.4801
33	V	A	-0.7662
34	I	A	0.2869
35	W	A	0.0000
36	T	A	-0.2489
37	S	A	-1.1259
38	S	A	-1.6360
39	D	A	-2.4545
40	H	A	-1.9944
41	Q	A	-1.3274
42	V	A	0.9182
43	L	A	0.3478
44	S	A	-0.3033
45	G	A	-1.1403
46	K	A	-2.0647
47	T	A	-1.1161
48	T	A	-0.7008
49	T	A	-0.8894
50	T	A	-1.3087
51	N	A	-3.1378
52	S	A	0.0000
53	K	A	-3.9323
54	R	A	-4.1748
55	E	A	-4.3711
56	E	A	-4.4118
57	K	A	-3.2440
58	L	A	-2.1084
59	F	A	-1.7138
60	N	A	-1.7346
61	V	A	0.0000
62	T	A	-0.7970
63	S	A	0.0000
64	T	A	-1.3605
65	L	A	0.0000
66	R	A	-1.9856
67	I	A	-1.1814
68	N	A	-1.4255
69	T	A	0.0000
70	T	A	-0.8059
71	T	A	-0.7024
72	N	A	-1.2014
73	E	A	-1.0973
74	I	A	-0.2740
75	F	A	0.0000
76	Y	A	0.1644
77	C	A	0.0000
78	T	A	-0.6661
79	F	A	0.0000
80	R	A	-1.8505
81	R	A	-1.7181
82	L	A	-1.1162
83	D	A	-1.9365
84	P	A	-1.9633
85	E	A	-2.5611
86	E	A	-2.2916
87	N	A	-2.3321
88	H	A	-1.6980
89	T	A	-1.0809
90	A	A	-1.3769
91	E	A	-1.0233
92	L	A	0.0000
93	V	A	1.0242