Project name: Pronoy Majumder

Chain sequence(s)	A: MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDR
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]                                                (00:00:07)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:07)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:07)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:07)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:07)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:13)

• Minimal score value: -4.1768
• Maximal score value: 1.4683
• Average score: -1.2133
• Total score value: -118.903

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
0	M	A	1.2573
1	I	A	0.5803
2	Q	A	-0.8614
3	R	A	-1.5554
4	T	A	-1.0376
5	P	A	0.0000
6	K	A	-1.8840
7	I	A	-1.0821
8	Q	A	-1.2985
9	V	A	0.0000
10	Y	A	-1.1180
11	S	A	-1.5964
12	R	A	-2.4801
13	H	A	-2.9819
14	P	A	-2.0949
15	A	A	-1.8837
16	E	A	-2.5156
17	N	A	-2.3340
18	G	A	-2.6057
19	K	A	-2.5641
20	S	A	-2.3230
21	N	A	-2.0593
22	F	A	-1.3091
23	L	A	0.0000
24	N	A	0.0000
25	C	A	0.0000
26	Y	A	0.1934
27	V	A	0.0000
28	S	A	-0.1304
29	G	A	-0.4666
30	F	A	0.0000
31	H	A	-0.5269
32	P	A	-0.6231
33	S	A	-0.7012
34	D	A	-1.6858
35	I	A	-1.0335
36	E	A	-2.0865
37	V	A	-1.3154
38	D	A	-1.9344
39	L	A	0.0000
40	L	A	0.0000
41	K	A	-3.0769
42	N	A	-3.5371
43	G	A	-2.9643
44	E	A	-3.7701
45	R	A	-3.9735
46	I	A	-2.8072
47	E	A	-3.3570
48	K	A	-3.0906
49	V	A	-2.0695
50	E	A	-2.0118
51	H	A	-1.3723
52	S	A	-0.6991
53	D	A	-0.8001
54	L	A	0.9920
55	S	A	0.8658
56	F	A	1.4683
57	S	A	-0.2784
58	K	A	-1.7397
59	D	A	-1.7697
60	W	A	-0.4051
61	S	A	0.0000
62	F	A	0.6443
63	Y	A	1.0837
64	L	A	0.0000
65	L	A	0.2952
66	Y	A	0.0740
67	Y	A	-0.7318
68	T	A	0.0000
69	E	A	-2.2020
70	F	A	0.0000
71	T	A	-0.6567
72	P	A	-1.6832
73	T	A	-2.1298
74	E	A	-3.3785
75	K	A	-3.5462
76	D	A	-3.3544
77	E	A	-4.1768
78	Y	A	0.0000
79	A	A	0.0000
80	C	A	0.0000
81	R	A	-1.9568
82	V	A	0.0000
83	N	A	-1.3699
84	H	A	0.0000
85	V	A	0.7750
86	T	A	0.1424
87	L	A	-0.2263
88	S	A	-0.5457
89	Q	A	-1.3011
90	P	A	-1.3217
91	K	A	-1.3441
92	I	A	-0.5673
93	V	A	-0.9699
94	K	A	-2.6689
95	W	A	-2.4493
96	D	A	-3.2230
97	R	A	-3.6603