Project name: 25937a6ecd2e8fb

Chain sequence(s)	A: MSHHHHHHSGWKKDYTIQDAMWYGDTREDAIEYLMRQLNRFVKAGDVEEVIIIFWEILQEFVRDMTRAKTVSRMKNRYKQYDRFVRMFKEFVETWEPEDPSVKELLEDILEQMMKGRTLLKNPTDVEAVQEFFKNS
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:46)

• Minimal score value: -3.4516
• Maximal score value: 1.3617
• Average score: -1.2889
• Total score value: -175.2866

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	0.5548
2	S	A	-0.5950
3	H	A	-1.7239
4	H	A	-2.3189
5	H	A	-2.7271
6	H	A	-2.7315
7	H	A	-2.5338
8	H	A	-1.9934
9	S	A	-1.2874
10	G	A	-1.2106
11	W	A	-0.8273
12	K	A	-2.4487
13	K	A	-2.6145
14	D	A	-2.1078
15	Y	A	-0.0726
16	T	A	-0.0179
17	I	A	0.6439
18	Q	A	0.1327
19	D	A	0.8157
20	A	A	0.0000
21	M	A	0.4840
22	W	A	1.3617
23	Y	A	1.2307
24	G	A	-0.4653
25	D	A	-1.7539
26	T	A	-1.6045
27	R	A	-1.7758
28	E	A	-2.1576
29	D	A	-1.4927
30	A	A	0.0000
31	I	A	0.0000
32	E	A	-0.9209
33	Y	A	-0.0052
34	L	A	0.0000
35	M	A	-1.2079
36	R	A	-2.1523
37	Q	A	-1.7874
38	L	A	0.0000
39	N	A	-2.2046
40	R	A	-2.8398
41	F	A	-2.2202
42	V	A	-1.9593
43	K	A	-2.3385
44	A	A	-1.6438
45	G	A	-1.8349
46	D	A	-2.3367
47	V	A	-1.2682
48	E	A	-1.9803
49	E	A	-1.6032
50	V	A	0.0000
51	I	A	0.2502
52	I	A	1.1152
53	I	A	0.0000
54	F	A	0.0000
55	W	A	0.5796
56	E	A	-0.3360
57	I	A	0.0000
58	L	A	-0.0754
59	Q	A	-1.1081
60	E	A	0.0000
61	F	A	0.0000
62	V	A	-1.4454
63	R	A	-2.0147
64	D	A	0.0000
65	M	A	0.0000
66	T	A	-2.6875
67	R	A	-2.8993
68	A	A	0.0000
69	K	A	-2.5325
70	T	A	-1.5966
71	V	A	-1.1793
72	S	A	-1.2654
73	R	A	-2.1946
74	M	A	0.0000
75	K	A	-2.5672
76	N	A	-2.6590
77	R	A	0.0000
78	Y	A	-2.2913
79	K	A	-2.6618
80	Q	A	0.0000
81	Y	A	0.0000
82	D	A	0.0000
83	R	A	-2.5424
84	F	A	0.0000
85	V	A	0.0000
86	R	A	-2.9525
87	M	A	-2.1754
88	F	A	0.0000
89	K	A	-3.1578
90	E	A	-3.1480
91	F	A	0.0000
92	V	A	0.0000
93	E	A	-3.1519
94	T	A	-1.8932
95	W	A	-1.8164
96	E	A	-2.6812
97	P	A	-2.1392
98	E	A	-2.9159
99	D	A	-2.7525
100	P	A	-1.9158
101	S	A	-1.1705
102	V	A	-0.6380
103	K	A	-2.1531
104	E	A	-2.3756
105	L	A	-0.7308
106	L	A	0.0000
107	E	A	-3.4516
108	D	A	-3.0920
109	I	A	-1.7559
110	L	A	0.0000
111	E	A	-2.8426
112	Q	A	-2.1650
113	M	A	0.0000
114	M	A	-1.4570
115	K	A	-1.5390
116	G	A	0.0000
117	R	A	-1.6513
118	T	A	-1.0595
119	L	A	-0.8854
120	L	A	0.0000
121	K	A	-2.2726
122	N	A	-2.0180
123	P	A	0.0000
124	T	A	-1.1773
125	D	A	-1.9309
126	V	A	-1.8695
127	E	A	-2.8524
128	A	A	-1.9717
129	V	A	0.0000
130	Q	A	-3.0892
131	E	A	-3.1833
132	F	A	-1.9749
133	F	A	0.0000
134	K	A	-3.3575
135	N	A	-2.6179
136	S	A	-1.6529