Project name: May

Chain sequence(s)	A: EQLTKCEVFRELKDLKGYGGVSLPEWVCTTFHTSGYDTQAIVQNNDSTEYGLFQINNKIWCKDDQNPHSSNICNISCDKFLDDDLTDDIMCVKKILDKVGINYWLAHKALCSEKLDQWLCEKL
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                                          (00:03:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:27)

• Minimal score value: -4.1071
• Maximal score value: 1.0459
• Average score: -1.0974
• Total score value: -134.9816

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	E	A	-3.4156
2	Q	A	-2.8058
3	L	A	-1.5044
4	T	A	-0.7011
5	K	A	-0.8205
6	C	A	-1.0382
7	E	A	-1.5266
8	V	A	0.0000
9	F	A	-2.0375
10	R	A	-3.2889
11	E	A	-3.3555
12	L	A	0.0000
13	K	A	-4.1071
14	D	A	-3.6332
15	L	A	0.0000
16	K	A	-3.1057
17	G	A	-1.9262
18	Y	A	-1.4883
19	G	A	-1.2289
20	G	A	-0.9714
21	V	A	0.0000
22	S	A	-1.1729
23	L	A	0.0000
24	P	A	-1.0225
25	E	A	-0.9110
26	W	A	0.0000
27	V	A	0.0000
28	C	A	0.0000
29	T	A	0.0000
30	T	A	0.0000
31	F	A	0.6898
32	H	A	0.4622
33	T	A	0.2611
34	S	A	-0.0644
35	G	A	-0.2045
36	Y	A	0.0000
37	D	A	-1.8096
38	T	A	0.0000
39	Q	A	-2.2680
40	A	A	-0.4322
41	I	A	0.9612
42	V	A	0.6936
43	Q	A	-1.4946
44	N	A	-2.5197
45	N	A	-2.7638
46	D	A	-2.7978
47	S	A	-2.0837
48	T	A	0.0000
49	E	A	-0.3581
50	Y	A	-0.3233
51	G	A	0.0000
52	L	A	0.0000
53	F	A	0.0000
54	Q	A	0.0000
55	I	A	0.0000
56	N	A	0.0000
57	N	A	0.0000
58	K	A	-1.7012
59	I	A	-0.0343
60	W	A	0.0000
61	C	A	0.0000
62	K	A	-3.0728
63	D	A	-3.0907
64	D	A	-3.1548
65	Q	A	-2.9599
66	N	A	-2.5786
67	P	A	-2.2391
68	H	A	-1.9898
69	S	A	-1.7205
70	S	A	-0.8033
71	N	A	-1.0268
72	I	A	-0.1469
73	C	A	-0.5945
74	N	A	-1.3393
75	I	A	-1.4976
76	S	A	-2.0773
77	C	A	0.0000
78	D	A	-2.9989
79	K	A	-3.1240
80	F	A	0.0000
81	L	A	0.0000
82	D	A	-3.8102
83	D	A	-4.0680
84	D	A	-3.5841
85	L	A	0.0000
86	T	A	-1.7774
87	D	A	-1.6475
88	D	A	0.0000
89	I	A	0.0000
90	M	A	-0.3055
91	C	A	0.0000
92	V	A	0.0000
93	K	A	-1.2506
94	K	A	-1.5294
95	I	A	0.0000
96	L	A	0.0000
97	D	A	-2.6784
98	K	A	-2.2403
99	V	A	-0.5213
100	G	A	-0.8625
101	I	A	-0.4526
102	N	A	-0.3274
103	Y	A	0.2279
104	W	A	0.0000
105	L	A	1.0459
106	A	A	0.5699
107	H	A	0.0000
108	K	A	-1.2993
109	A	A	-0.1791
110	L	A	0.2331
111	C	A	0.0000
112	S	A	-1.5678
113	E	A	-2.8823
114	K	A	-3.0939
115	L	A	-2.2235
116	D	A	-2.8011
117	Q	A	-2.1565
118	W	A	0.0000
119	L	A	-0.8320
120	C	A	-1.3491
121	E	A	-1.8629
122	K	A	-1.6845
123	L	A	0.1922