Project name: 43e6c3ec5b1a4

Chain sequence(s)	A: PPIPMTSAFGPAEMNALMTAAMKKMWAIVRPWMQAGIVRGLPEKTIERLKNGPVYGPEEVTVGEVMFVLWTVEHDVVQSMDYHRHWGKMYMLNKQIKRVMRKTMKKIYEANMAAA
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                                          (00:04:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:05)

• Minimal score value: -3.9863
• Maximal score value: 2.1108
• Average score: -0.8126
• Total score value: -93.4501

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	-0.2633
2	P	A	0.0333
3	I	A	0.2861
4	P	A	0.6482
5	M	A	0.8765
6	T	A	0.0039
7	S	A	0.0001
8	A	A	-0.3308
9	F	A	-0.8020
10	G	A	-1.3920
11	P	A	-1.3425
12	A	A	-0.7323
13	E	A	-1.8005
14	M	A	0.0000
15	N	A	-0.2505
16	A	A	-0.3919
17	L	A	-0.5014
18	M	A	0.0000
19	T	A	-1.0871
20	A	A	-1.1089
21	A	A	0.0000
22	M	A	0.0000
23	K	A	-2.6942
24	K	A	-2.3936
25	M	A	0.0000
26	W	A	-1.7674
27	A	A	-1.2252
28	I	A	-0.7186
29	V	A	0.0000
30	R	A	-1.5318
31	P	A	-1.0741
32	W	A	-0.9484
33	M	A	-1.3490
34	Q	A	-1.7102
35	A	A	-0.8644
36	G	A	-0.9819
37	I	A	-0.9644
38	V	A	0.0000
39	R	A	-2.3820
40	G	A	-1.8118
41	L	A	0.0000
42	P	A	-2.0201
43	E	A	-3.1310
44	K	A	-3.2956
45	T	A	0.0000
46	I	A	-2.3876
47	E	A	-3.5518
48	R	A	-2.4078
49	L	A	0.0000
50	K	A	-2.9516
51	N	A	-2.3255
52	G	A	0.0000
53	P	A	0.0687
54	V	A	1.4658
55	Y	A	0.0406
56	G	A	-0.8469
57	P	A	-1.5074
58	E	A	-2.9346
59	E	A	-2.8239
60	V	A	0.0000
61	T	A	-0.6302
62	V	A	0.0000
63	G	A	0.0678
64	E	A	-0.1896
65	V	A	0.0000
66	M	A	1.3756
67	F	A	2.1108
68	V	A	0.0000
69	L	A	0.0000
70	W	A	1.6997
71	T	A	1.0205
72	V	A	0.0000
73	E	A	0.0000
74	H	A	-0.3901
75	D	A	-0.5566
76	V	A	0.0000
77	V	A	-0.0373
78	Q	A	-1.4189
79	S	A	-1.2895
80	M	A	0.0000
81	D	A	-1.2888
82	Y	A	0.1498
83	H	A	-1.2283
84	R	A	-2.0745
85	H	A	-0.7687
86	W	A	0.7889
87	G	A	0.3397
88	K	A	-0.2418
89	M	A	0.0000
90	Y	A	1.4087
91	M	A	0.6329
92	L	A	0.0000
93	N	A	-0.5885
94	K	A	-1.3423
95	Q	A	-1.5685
96	I	A	0.0000
97	K	A	-2.5144
98	R	A	-3.5731
99	V	A	0.0000
100	M	A	-2.1843
101	R	A	-3.9863
102	K	A	-3.9609
103	T	A	0.0000
104	M	A	-2.2286
105	K	A	-3.6669
106	K	A	-3.2640
107	I	A	0.0000
108	Y	A	-1.5067
109	E	A	-2.3385
110	A	A	-1.1162
111	N	A	0.0000
112	M	A	-0.1075
113	A	A	-0.1006
114	A	A	0.0461
115	A	A	0.2518