Project name: aggregation_propensity_1

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
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                                          (00:02:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:58)

• Minimal score value: -4.9622
• Maximal score value: 2.6121
• Average score: -0.8548
• Total score value: -119.6784

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	0.9544
2	D	A	0.0767
3	V	A	2.2242
4	F	A	2.6121
5	M	A	1.6809
6	K	A	-0.4259
7	G	A	-0.1331
8	L	A	0.5990
9	S	A	-0.4909
10	K	A	-2.3088
11	A	A	-1.6084
12	K	A	-3.3281
13	E	A	-2.5145
14	G	A	-1.0604
15	V	A	0.1877
16	V	A	0.2703
17	A	A	-0.1416
18	A	A	-0.6009
19	A	A	-2.1003
20	E	A	-3.3016
21	K	A	-3.8373
22	T	A	-2.7123
23	K	A	-3.1653
24	Q	A	-2.0653
25	G	A	-0.7801
26	V	A	0.5836
27	A	A	-0.6719
28	E	A	-1.7446
29	A	A	-1.0444
30	A	A	-0.6899
31	G	A	-1.1586
32	K	A	-2.1184
33	T	A	-0.9741
34	K	A	-2.0179
35	E	A	-1.0976
36	G	A	-0.3369
37	V	A	0.8002
38	L	A	-0.0014
39	Y	A	0.3216
40	V	A	-0.4231
41	G	A	-0.8055
42	S	A	-0.6480
43	K	A	-0.9453
44	T	A	-1.4646
45	K	A	-2.1279
46	E	A	-2.1796
47	G	A	-0.5896
48	V	A	1.0591
49	V	A	1.7583
50	H	A	0.6024
51	G	A	0.5709
52	V	A	1.7520
53	A	A	1.0874
54	T	A	1.0283
55	V	A	1.0518
56	A	A	-0.6744
57	E	A	-2.4254
58	K	A	-2.9951
59	T	A	-2.8270
60	K	A	-3.3173
61	E	A	-2.9786
62	Q	A	-1.7605
63	V	A	0.2490
64	T	A	0.2185
65	N	A	0.1788
66	V	A	1.4995
67	G	A	1.2365
68	G	A	0.9615
69	A	A	0.9936
70	V	A	1.6794
71	V	A	1.4445
72	T	A	1.1631
73	G	A	1.7728
74	V	A	2.1731
75	T	A	1.1489
76	A	A	0.9640
77	V	A	1.3047
78	A	A	-0.2089
79	Q	A	-1.3531
80	K	A	-2.0311
81	T	A	-1.2973
82	V	A	-0.6629
83	E	A	-1.8922
84	G	A	-0.9492
85	A	A	-0.4622
86	G	A	-0.0581
87	S	A	0.4843
88	I	A	1.7661
89	A	A	0.9045
90	A	A	0.3191
91	A	A	0.4411
92	T	A	0.4187
93	G	A	0.7554
94	F	A	1.4019
95	V	A	0.3339
96	K	A	-2.5814
97	K	A	-3.8415
98	D	A	-3.4155
99	Q	A	-2.6242
100	L	A	-2.8645
101	G	A	-3.2130
102	K	A	-4.0419
103	N	A	-4.3126
104	E	A	-4.9622
105	E	A	-3.4572
106	G	A	-1.9257
107	A	A	-1.4818
108	P	A	-2.1966
109	Q	A	-2.0053
110	E	A	-2.1031
111	G	A	-0.3132
112	I	A	1.4024
113	L	A	0.5938
114	E	A	-1.4097
115	D	A	-1.7068
116	M	A	-0.0144
117	P	A	0.1373
118	V	A	0.5309
119	D	A	-1.5627
120	P	A	-2.2910
121	D	A	-3.2114
122	N	A	-3.3211
123	E	A	-2.7561
124	A	A	-0.7328
125	Y	A	0.1361
126	E	A	-0.7525
127	M	A	-0.1702
128	P	A	-1.1361
129	S	A	-1.7511
130	E	A	-2.6365
131	E	A	-2.6808
132	G	A	-1.8190
133	Y	A	-1.2496
134	Q	A	-2.3669
135	D	A	-1.8267
136	Y	A	-1.0133
137	E	A	-2.4471
138	P	A	-2.1850
139	E	A	-2.4711
140	A	A	-1.1537