Project name: HN WT J

Chain sequence(s)	A: MGSDKIHHHHHHENLYFQGHMNQGGGYGGGYDNYGGGNYGSGNYNDFGNYNQQPSNYGPMKSGNFGGSRNMGGPYGGGNYGPGGSGGSGGYGGRSRY
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                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -3.0936
• Maximal score value: 2.0115
• Average score: -0.9252
• Total score value: -89.7418

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	0.5656
2	G	A	-0.7591
3	S	A	-1.2714
4	D	A	-2.2828
5	K	A	-2.1109
6	I	A	-0.2279
7	H	A	-1.6135
8	H	A	-2.0246
9	H	A	-2.3975
10	H	A	-2.8977
11	H	A	-3.0936
12	H	A	-2.9338
13	E	A	-2.7074
14	N	A	-1.1595
15	L	A	1.2860
16	Y	A	1.9393
17	F	A	2.0115
18	Q	A	0.0367
19	G	A	-0.6004
20	H	A	-1.3239
21	M	A	-0.7776
22	N	A	-1.8860
23	Q	A	-2.0747
24	G	A	-1.4920
25	G	A	-1.1712
26	G	A	-0.5084
27	Y	A	0.6009
28	G	A	-0.3446
29	G	A	-0.5985
30	G	A	-0.8151
31	Y	A	-0.0075
32	D	A	-1.5882
33	N	A	-1.5345
34	Y	A	-0.1128
35	G	A	-0.9348
36	G	A	-1.0648
37	G	A	-1.0774
38	N	A	-1.2167
39	Y	A	0.1470
40	G	A	-0.5325
41	S	A	-0.6820
42	G	A	-0.8232
43	N	A	-1.5465
44	Y	A	-0.2302
45	N	A	-1.5239
46	D	A	-1.5674
47	F	A	0.7324
48	G	A	-0.3908
49	N	A	-1.2556
50	Y	A	-0.2908
51	N	A	-2.0176
52	Q	A	-2.3164
53	Q	A	-2.3551
54	P	A	-1.6024
55	S	A	-1.1250
56	N	A	-1.1565
57	Y	A	0.5095
58	G	A	-0.3072
59	P	A	-0.2982
60	M	A	0.0992
61	K	A	-1.7386
62	S	A	-1.0083
63	G	A	-1.0358
64	N	A	-1.1246
65	F	A	0.7494
66	G	A	-0.6737
67	G	A	-1.1362
68	S	A	-1.5904
69	R	A	-2.5277
70	N	A	-2.0039
71	M	A	-0.5742
72	G	A	-0.7515
73	G	A	-0.4058
74	P	A	-0.0081
75	Y	A	0.5698
76	G	A	-0.5574
77	G	A	-0.7677
78	G	A	-0.9331
79	N	A	-1.3291
80	Y	A	0.0375
81	G	A	-0.6540
82	P	A	-0.6716
83	G	A	-0.9915
84	G	A	-1.1301
85	S	A	-0.9469
86	G	A	-1.0787
87	G	A	-1.0893
88	S	A	-0.7620
89	G	A	-0.6841
90	G	A	-0.3278
91	Y	A	0.6045
92	G	A	-0.6818
93	G	A	-1.6416
94	R	A	-2.6190
95	S	A	-1.8728
96	R	A	-1.8371
97	Y	A	0.1534