Project name: 878edb533a81a67

Chain sequence(s)	A: MSHHHHHHSGSRDEANEAAYKFMLFFMEMYRLSYKYGIKEEYEKFEKTLRKKDVTYEEALEAMDKLFEVLKKVLPEEELKEFEKLYKEGKEALKIIGDYYEPKGADRFADIMYQVADGWWYIFYPEKKDNS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:27)

• Minimal score value: -4.4616
• Maximal score value: 3.4142
• Average score: -1.577
• Total score value: -206.5924

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	M	A	0.5368
2	S	A	-0.6280
3	H	A	-1.7711
4	H	A	-2.3686
5	H	A	-2.8028
6	H	A	-2.7982
7	H	A	-2.7230
8	H	A	-2.2191
9	S	A	-1.9458
10	G	A	-2.0468
11	S	A	-2.7205
12	R	A	-3.9097
13	D	A	-4.4616
14	E	A	-4.1533
15	A	A	0.0000
16	N	A	-3.3422
17	E	A	-3.4119
18	A	A	0.0000
19	A	A	-0.9280
20	Y	A	0.0825
21	K	A	-1.2893
22	F	A	0.0000
23	M	A	0.1860
24	L	A	0.6941
25	F	A	0.0000
26	F	A	0.0000
27	M	A	0.0842
28	E	A	-0.2763
29	M	A	0.0000
30	Y	A	-0.6728
31	R	A	-1.3758
32	L	A	0.0000
33	S	A	0.0000
34	Y	A	-1.3395
35	K	A	-1.7954
36	Y	A	-0.5521
37	G	A	-1.0641
38	I	A	-1.2017
39	K	A	-2.5588
40	E	A	-3.2360
41	E	A	-2.8148
42	Y	A	0.0000
43	E	A	-3.1706
44	K	A	-3.7028
45	F	A	0.0000
46	E	A	-2.2259
47	K	A	-2.8869
48	T	A	-2.5044
49	L	A	0.0000
50	R	A	-2.2696
51	K	A	-3.2469
52	K	A	-3.6488
53	D	A	-3.6279
54	V	A	0.0000
55	T	A	-2.0108
56	Y	A	-1.6941
57	E	A	-2.5362
58	E	A	-2.4231
59	A	A	0.0000
60	L	A	-2.1048
61	E	A	-3.2159
62	A	A	-2.7480
63	M	A	0.0000
64	D	A	-3.1479
65	K	A	-3.5482
66	L	A	0.0000
67	F	A	0.0000
68	E	A	-3.2359
69	V	A	-1.9451
70	L	A	0.0000
71	K	A	-2.7822
72	K	A	-2.3833
73	V	A	-0.7567
74	L	A	0.0000
75	P	A	-2.1011
76	E	A	-3.7883
77	E	A	-3.9661
78	E	A	-3.4062
79	L	A	-3.5268
80	K	A	-4.4614
81	E	A	-4.1413
82	F	A	0.0000
83	E	A	-3.3389
84	K	A	-3.7526
85	L	A	-2.7787
86	Y	A	0.0000
87	K	A	-3.6451
88	E	A	-4.0401
89	G	A	0.0000
90	K	A	-2.8157
91	E	A	-3.3714
92	A	A	0.0000
93	L	A	0.0000
94	K	A	-2.0731
95	I	A	-1.3647
96	I	A	0.0000
97	G	A	0.0000
98	D	A	-1.7516
99	Y	A	-1.9713
100	Y	A	0.0000
101	E	A	-1.8895
102	P	A	-1.7250
103	K	A	-2.2282
104	G	A	-1.6526
105	A	A	-2.0047
106	D	A	-3.1015
107	R	A	-2.9567
108	F	A	0.0000
109	A	A	0.0000
110	D	A	-2.8556
111	I	A	-1.2316
112	M	A	0.0000
113	Y	A	-1.0502
114	Q	A	-1.0113
115	V	A	0.0000
116	A	A	0.0000
117	D	A	0.0776
118	G	A	1.1035
119	W	A	0.0000
120	W	A	1.4559
121	Y	A	2.1205
122	I	A	3.4142
123	F	A	2.9757
124	Y	A	1.1021
125	P	A	-0.2790
126	E	A	-2.9461
127	K	A	-3.4877
128	K	A	-3.6259
129	D	A	-4.1136
130	N	A	-3.4903
131	S	A	-2.2584