Project name: 90124641f613deb

Chain sequence(s)	A: MEAPEYLDLDEIDFSDDISYSVTSLKTIPELCRRCDTQNEDRSVSSSSWNCGISTLITNTQKPTGIADVYSKFRPVKRVSPLKHQPETLENNESDDQK
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             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -4.1099
• Maximal score value: 2.3643
• Average score: -0.8854
• Total score value: -86.7687

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	0.1538
2	E	A	-1.5710
3	A	A	-0.9573
4	P	A	-0.8796
5	E	A	-1.3295
6	Y	A	0.8818
7	L	A	0.8367
8	D	A	-1.1270
9	L	A	-0.1135
10	D	A	-2.2962
11	E	A	-2.3313
12	I	A	-1.0179
13	D	A	-1.8482
14	F	A	0.1963
15	S	A	-0.4791
16	D	A	-1.5389
17	D	A	-0.6893
18	I	A	1.5893
19	S	A	0.9202
20	Y	A	1.2050
21	S	A	1.0530
22	V	A	1.9510
23	T	A	0.8197
24	S	A	0.8550
25	L	A	-0.0108
26	K	A	-1.2266
27	T	A	-0.3728
28	I	A	-0.2976
29	P	A	-1.4106
30	E	A	-2.3150
31	L	A	-1.5664
32	C	A	-1.7791
33	R	A	-3.3657
34	R	A	-3.3391
35	C	A	-2.3967
36	D	A	-3.0487
37	T	A	-2.6178
38	Q	A	-3.6469
39	N	A	-3.6326
40	E	A	-4.1099
41	D	A	-3.8801
42	R	A	-3.1797
43	S	A	-1.0717
44	V	A	0.7718
45	S	A	0.1896
46	S	A	0.1578
47	S	A	-0.0620
48	S	A	-0.1030
49	W	A	0.5380
50	N	A	-0.2324
51	C	A	0.7419
52	G	A	0.5727
53	I	A	1.8520
54	S	A	1.4066
55	T	A	1.5584
56	L	A	2.3643
57	I	A	1.4980
58	T	A	0.4036
59	N	A	-1.1844
60	T	A	-1.3978
61	Q	A	-2.1623
62	K	A	-2.4119
63	P	A	-1.3060
64	T	A	-0.7758
65	G	A	0.1387
66	I	A	2.0800
67	A	A	0.8499
68	D	A	-0.1437
69	V	A	1.8282
70	Y	A	1.7733
71	S	A	0.0575
72	K	A	-0.9387
73	F	A	0.3297
74	R	A	-1.1917
75	P	A	-0.6175
76	V	A	0.3882
77	K	A	-1.5797
78	R	A	-1.4762
79	V	A	0.7087
80	S	A	0.0604
81	P	A	0.0243
82	L	A	0.3921
83	K	A	-1.8972
84	H	A	-2.3665
85	Q	A	-2.5955
86	P	A	-2.0068
87	E	A	-2.2763
88	T	A	-1.2350
89	L	A	-0.5526
90	E	A	-2.6297
91	N	A	-2.8781
92	N	A	-3.4724
93	E	A	-4.0034
94	S	A	-3.1551
95	D	A	-3.8126
96	D	A	-3.9216
97	Q	A	-3.3854
98	K	A	-2.6983