Project name: 718302a99eaaaa1

Chain sequence(s)	A: MSHHHHHHSGMEKSPAEKMREIIERKKKEVEEYIKNHPEISEETKQYFEHMFRGMESLIWPEEPEITRFSFEVHYRNFERTKEFMLTDPDAKPWYEKNKELFELIDEAIEEVMKVVKEELGLNS
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                                          (00:06:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:32)

• Minimal score value: -4.143
• Maximal score value: 1.8669
• Average score: -1.6109
• Total score value: -199.7492

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	0.5528
2	S	A	-0.6195
3	H	A	-1.7452
4	H	A	-2.3418
5	H	A	-2.7598
6	H	A	-2.7681
7	H	A	-2.5873
8	H	A	-2.0286
9	S	A	-1.3671
10	G	A	-1.2676
11	M	A	-0.6387
12	E	A	-2.3002
13	K	A	-2.6141
14	S	A	-1.9905
15	P	A	-2.1182
16	A	A	0.0000
17	E	A	-3.2166
18	K	A	-3.0071
19	M	A	0.0000
20	R	A	-4.0078
21	E	A	-3.8367
22	I	A	-2.6083
23	I	A	0.0000
24	E	A	-4.1430
25	R	A	-3.1673
26	K	A	0.0000
27	K	A	-3.2305
28	K	A	-3.8292
29	E	A	-3.2754
30	V	A	0.0000
31	E	A	-3.6660
32	E	A	-3.9618
33	Y	A	-2.6389
34	I	A	0.0000
35	K	A	-3.6038
36	N	A	-2.9960
37	H	A	-2.3171
38	P	A	-2.1266
39	E	A	-2.4744
40	I	A	-2.1547
41	S	A	-2.2575
42	E	A	-3.3688
43	E	A	-3.2113
44	T	A	0.0000
45	K	A	-2.7921
46	Q	A	-2.8023
47	Y	A	-1.7905
48	F	A	0.0000
49	E	A	-2.3202
50	H	A	-2.3154
51	M	A	-1.5530
52	F	A	0.0000
53	R	A	-3.1028
54	G	A	-1.8130
55	M	A	0.0000
56	E	A	-2.9358
57	S	A	-1.3594
58	L	A	-0.0568
59	I	A	-0.7228
60	W	A	-0.3999
61	P	A	-1.2916
62	E	A	-2.2536
63	E	A	-1.8328
64	P	A	-1.3091
65	E	A	-0.8686
66	I	A	0.5866
67	T	A	0.0000
68	R	A	0.1340
69	F	A	1.8669
70	S	A	1.3717
71	F	A	0.0000
72	E	A	0.0431
73	V	A	0.8886
74	H	A	-0.4775
75	Y	A	-1.3230
76	R	A	-2.6801
77	N	A	-2.8886
78	F	A	0.0000
79	E	A	-3.2833
80	R	A	-3.4471
81	T	A	-1.8654
82	K	A	-1.9991
83	E	A	-2.2157
84	F	A	-0.0968
85	M	A	0.0000
86	L	A	-0.8036
87	T	A	-0.5111
88	D	A	-1.1394
89	P	A	-1.3338
90	D	A	-2.2128
91	A	A	-1.2652
92	K	A	-2.0607
93	P	A	-1.9192
94	W	A	-1.4756
95	Y	A	0.0000
96	E	A	-3.1162
97	K	A	-2.9451
98	N	A	0.0000
99	K	A	-2.9289
100	E	A	-2.7250
101	L	A	0.0000
102	F	A	0.0000
103	E	A	-2.7578
104	L	A	-1.9634
105	I	A	0.0000
106	D	A	-2.2733
107	E	A	-2.5013
108	A	A	0.0000
109	I	A	0.0000
110	E	A	-2.5424
111	E	A	-2.1464
112	V	A	0.0000
113	M	A	0.0000
114	K	A	-3.3983
115	V	A	-2.5509
116	V	A	0.0000
117	K	A	-3.2583
118	E	A	-3.3820
119	E	A	-2.5712
120	L	A	0.0000
121	G	A	-1.4538
122	L	A	-0.1987
123	N	A	-1.1611
124	S	A	-0.5556