Project name: 81bf45762f7ace4

Chain sequence(s)	A: MSHHHHHHSGSELEKKLPKEEILEKLREYVKKHAEVIRALNKVAHEYRRRQYNGDNSKIDLIKEFPEVTLEDLVDFYTEYTKLKKWLEKYYPNVEEFGWIYRMVDHTMRMLEYITDETRKKIEEEAKKKLNS
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             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:10)

• Minimal score value: -4.4286
• Maximal score value: 0.5555
• Average score: -1.8417
• Total score value: -243.105

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	0.5555
2	S	A	-0.6124
3	H	A	-1.7342
4	H	A	-2.3320
5	H	A	-2.7436
6	H	A	-2.7513
7	H	A	-2.5651
8	H	A	-2.2342
9	S	A	-1.7450
10	G	A	-1.4808
11	S	A	-1.3451
12	E	A	-2.2058
13	L	A	-1.1414
14	E	A	-2.8346
15	K	A	-3.1705
16	K	A	-3.0424
17	L	A	-2.2194
18	P	A	-2.0592
19	K	A	-2.5821
20	E	A	-3.1775
21	E	A	-3.2628
22	I	A	0.0000
23	L	A	-2.4097
24	E	A	-3.2403
25	K	A	-2.8667
26	L	A	0.0000
27	R	A	-2.9894
28	E	A	-3.5111
29	Y	A	0.0000
30	V	A	-2.3476
31	K	A	-3.5431
32	K	A	-3.5940
33	H	A	-2.9872
34	A	A	-2.6128
35	E	A	-3.4311
36	V	A	0.0000
37	I	A	0.0000
38	R	A	-3.1603
39	A	A	0.0000
40	L	A	0.0000
41	N	A	-2.3907
42	K	A	-2.7045
43	V	A	0.0000
44	A	A	-2.1933
45	H	A	-2.6732
46	E	A	-2.3149
47	Y	A	0.0000
48	R	A	-2.9757
49	R	A	-3.2250
50	R	A	-2.8997
51	Q	A	-2.4744
52	Y	A	-1.0370
53	N	A	-2.1574
54	G	A	-2.0365
55	D	A	-2.6893
56	N	A	-2.6348
57	S	A	-1.6024
58	K	A	-1.9688
59	I	A	0.0000
60	D	A	-1.6145
61	L	A	0.0000
62	I	A	-0.5783
63	K	A	-1.9687
64	E	A	-1.6789
65	F	A	-1.4186
66	P	A	-1.2171
67	E	A	-2.2502
68	V	A	0.0000
69	T	A	-1.1237
70	L	A	-1.2446
71	E	A	-2.7076
72	D	A	-2.7333
73	L	A	0.0000
74	V	A	0.0000
75	D	A	-2.9838
76	F	A	0.0000
77	Y	A	-1.4275
78	T	A	0.0000
79	E	A	-2.0215
80	Y	A	0.0000
81	T	A	-1.7060
82	K	A	-2.1194
83	L	A	-2.0345
84	K	A	-2.5651
85	K	A	-3.3489
86	W	A	0.0000
87	L	A	0.0000
88	E	A	-3.5411
89	K	A	-3.2830
90	Y	A	-2.4645
91	Y	A	0.0000
92	P	A	-2.0808
93	N	A	-2.3345
94	V	A	-2.2212
95	E	A	-2.7359
96	E	A	-1.9749
97	F	A	0.0000
98	G	A	-0.8286
99	W	A	0.1134
100	I	A	0.0000
101	Y	A	0.0000
102	R	A	-1.8807
103	M	A	-0.6332
104	V	A	0.0000
105	D	A	0.0000
106	H	A	-2.0626
107	T	A	0.0000
108	M	A	-1.5065
109	R	A	-2.6260
110	M	A	0.0000
111	L	A	0.0000
112	E	A	-2.7258
113	Y	A	-2.0054
114	I	A	0.0000
115	T	A	-2.4565
116	D	A	-3.9160
117	E	A	-3.7307
118	T	A	0.0000
119	R	A	-3.5764
120	K	A	-4.4286
121	K	A	-4.1091
122	I	A	0.0000
123	E	A	-3.5435
124	E	A	-4.4284
125	E	A	-4.0976
126	A	A	0.0000
127	K	A	-3.7701
128	K	A	-4.0328
129	K	A	-3.5198
130	L	A	-2.4642
131	N	A	-2.4255
132	S	A	-1.7175