Project name: f7d657127b1a621

Chain sequence(s)	A: MGSHHHHHHMKKDDQIAAAIALRGMAKDGKFAVKGGGGSQNKNDQIAAAIVLRGLAKGGKFANAGGGGSKKKNDQIAAALVLRGVAKSGKFAGAGGGGSITRNDEIAAAIVLRGMAKGGRFFASGGG
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                                          (00:01:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:34)

• Minimal score value: -4.8132
• Maximal score value: 2.0925
• Average score: -1.1438
• Total score value: -145.2674

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	0.0816
2	G	A	-1.2238
3	S	A	-1.7738
4	H	A	-2.4418
5	H	A	-2.9942
6	H	A	-3.2973
7	H	A	-3.7946
8	H	A	-4.1011
9	H	A	-4.2586
10	M	A	-3.9284
11	K	A	-4.7849
12	K	A	-4.8132
13	D	A	-4.4474
14	D	A	-3.6823
15	Q	A	-2.0137
16	I	A	0.8871
17	A	A	0.3620
18	A	A	0.7795
19	A	A	1.0552
20	I	A	2.0834
21	A	A	1.0804
22	L	A	0.0000
23	R	A	-0.8669
24	G	A	-1.1450
25	M	A	-1.5256
26	A	A	0.0000
27	K	A	-3.1715
28	D	A	-3.3257
29	G	A	-2.7113
30	K	A	-2.4702
31	F	A	-0.8342
32	A	A	-0.6320
33	V	A	0.0000
34	K	A	-2.6032
35	G	A	-3.0001
36	G	A	-2.1142
37	G	A	-1.5530
38	G	A	-1.7832
39	S	A	-1.9772
40	Q	A	-3.4252
41	N	A	-3.4227
42	K	A	-3.6475
43	N	A	-3.1120
44	D	A	-3.4454
45	Q	A	0.0000
46	I	A	-1.1406
47	A	A	-0.9363
48	A	A	-0.7325
49	A	A	0.0000
50	I	A	-0.2062
51	V	A	0.1083
52	L	A	0.0000
53	R	A	-0.8682
54	G	A	-1.0836
55	L	A	-0.9889
56	A	A	0.0000
57	K	A	-2.3944
58	G	A	-1.7747
59	G	A	-2.1604
60	K	A	-2.3459
61	F	A	-1.3134
62	A	A	-1.5192
63	N	A	-1.6614
64	A	A	0.0000
65	G	A	-1.4755
66	G	A	-1.2558
67	G	A	-1.0564
68	G	A	-1.5891
69	S	A	-2.2082
70	K	A	-3.2361
71	K	A	-3.1420
72	K	A	-2.6108
73	N	A	0.0000
74	D	A	0.0000
75	Q	A	-0.8161
76	I	A	0.0000
77	A	A	0.0000
78	A	A	0.0000
79	A	A	0.0000
80	L	A	0.0000
81	V	A	0.0000
82	L	A	-0.0345
83	R	A	-1.3931
84	G	A	-0.5594
85	V	A	0.7360
86	A	A	-0.6081
87	K	A	-1.7715
88	S	A	-1.6251
89	G	A	-1.6484
90	K	A	-2.0545
91	F	A	0.0000
92	A	A	-0.3993
93	G	A	-0.0213
94	A	A	-0.7923
95	G	A	-0.7712
96	G	A	-0.6837
97	G	A	-1.5589
98	G	A	0.0000
99	S	A	-1.5585
100	I	A	-0.8806
101	T	A	-0.8310
102	R	A	-1.0610
103	N	A	-1.3129
104	D	A	0.0000
105	E	A	0.0000
106	I	A	0.8096
107	A	A	0.5206
108	A	A	0.0000
109	A	A	0.0000
110	I	A	2.0925
111	V	A	1.4629
112	L	A	0.0000
113	R	A	-0.0145
114	G	A	-0.1752
115	M	A	0.4404
116	A	A	-0.4882
117	K	A	-2.0118
118	G	A	-1.6883
119	G	A	-1.1663
120	R	A	-1.2515
121	F	A	0.6806
122	F	A	1.3761
123	A	A	0.5550
124	S	A	-0.2726
125	G	A	-0.8157
126	G	A	-1.0375
127	G	A	-1.0548