Project name: e4f7

Chain sequence(s)	A: MSTQYTYQQIAEDFRLWSEYVDTAGEMSKDEFNSLSTEDKVRLQVEAFGEEKSPKFSTKVTTKPDFDGFQFYIEAGRDFDGDAYTEAYGVAVPTNIAARIQAQAAELNAGEWLLVEHEA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.5714
• Maximal score value: 1.1396
• Average score: -1.1778
• Total score value: -140.1613

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	0.5774
2	S	A	0.0134
3	T	A	0.0835
4	Q	A	-0.1456
5	Y	A	-0.5455
6	T	A	-0.9429
7	Y	A	-0.3968
8	Q	A	-1.7612
9	Q	A	-1.8888
10	I	A	0.0000
11	A	A	-1.3828
12	E	A	-2.5060
13	D	A	-1.7805
14	F	A	-0.6237
15	R	A	-1.9680
16	L	A	-1.0465
17	W	A	0.0000
18	S	A	-1.2345
19	E	A	-1.4846
20	Y	A	0.0534
21	V	A	0.3278
22	D	A	-0.8526
23	T	A	-0.7445
24	A	A	-0.8321
25	G	A	-1.3399
26	E	A	-2.4905
27	M	A	-1.6724
28	S	A	-2.0186
29	K	A	-3.2236
30	D	A	-3.4142
31	E	A	-2.5984
32	F	A	0.0000
33	N	A	-2.3698
34	S	A	-1.3520
35	L	A	-0.5586
36	S	A	-1.1257
37	T	A	-1.4795
38	E	A	-2.1310
39	D	A	-1.5249
40	K	A	-0.6652
41	V	A	-0.7789
42	R	A	-1.9127
43	L	A	0.1043
44	Q	A	0.3229
45	V	A	-0.7039
46	E	A	-1.3932
47	A	A	-0.0240
48	F	A	0.8324
49	G	A	-1.2180
50	E	A	-3.0563
51	E	A	-3.5714
52	K	A	-3.3542
53	S	A	-2.2648
54	P	A	-2.2078
55	K	A	-2.1101
56	F	A	-0.6511
57	S	A	-0.5941
58	T	A	0.0000
59	K	A	0.0373
60	V	A	0.5822
61	T	A	-0.1056
62	T	A	-1.1338
63	K	A	-2.1972
64	P	A	-1.4398
65	D	A	-1.5313
66	F	A	0.3933
67	D	A	-0.3175
68	G	A	0.0690
69	F	A	1.1396
70	Q	A	-0.3145
71	F	A	0.3496
72	Y	A	-0.2568
73	I	A	0.0000
74	E	A	-2.6677
75	A	A	-2.3828
76	G	A	-2.5329
77	R	A	-3.0508
78	D	A	-3.3553
79	F	A	0.0000
80	D	A	-2.9458
81	G	A	-2.0082
82	D	A	-2.7461
83	A	A	-1.9903
84	Y	A	0.0000
85	T	A	-1.3997
86	E	A	-2.1848
87	A	A	-0.8444
88	Y	A	-0.2953
89	G	A	-0.6893
90	V	A	0.2713
91	A	A	-0.0199
92	V	A	0.0688
93	P	A	-0.3203
94	T	A	-0.9798
95	N	A	-1.5152
96	I	A	-0.6664
97	A	A	-1.5109
98	A	A	-1.7562
99	R	A	-2.1829
100	I	A	0.0000
101	Q	A	-2.6457
102	A	A	-1.7635
103	Q	A	-2.0961
104	A	A	0.0000
105	A	A	-1.9848
106	E	A	-2.3114
107	L	A	-2.0667
108	N	A	-1.9972
109	A	A	-1.6272
110	G	A	-1.5208
111	E	A	-1.4569
112	W	A	-0.8588
113	L	A	0.0000
114	L	A	0.1947
115	V	A	0.0000
116	E	A	-1.8630
117	H	A	-2.4667
118	E	A	-2.4902
119	A	A	-1.1503