Project name: ec388cfe9a9b52c

Chain sequence(s)	A: MVKQIESKTAFQEALDAAGDKLVVVDFSATWCGPCKMIKPFFHSLSEKYSNVIFLEVDVNDCQDVASECEVKCMPTFQFFKKGQKVGEFSGANKEKLEATINELV
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                                          (00:03:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:21)

• Minimal score value: -3.7395
• Maximal score value: 0.794
• Average score: -1.2286
• Total score value: -129.0034

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	0.0474
2	V	A	-0.3757
3	K	A	-1.5397
4	Q	A	-2.1505
5	I	A	0.0000
6	E	A	-2.9062
7	S	A	-2.2605
8	K	A	-2.1657
9	T	A	-1.5503
10	A	A	-1.9881
11	F	A	0.0000
12	Q	A	-2.7607
13	E	A	-3.1048
14	A	A	0.0000
15	L	A	-2.6533
16	D	A	-3.3786
17	A	A	-2.0297
18	A	A	0.0000
19	G	A	-2.2839
20	D	A	-3.0920
21	K	A	-2.0726
22	L	A	0.0000
23	V	A	0.0000
24	V	A	0.0000
25	V	A	0.0000
26	D	A	0.0000
27	F	A	0.0000
28	S	A	-0.5321
29	A	A	0.0000
30	T	A	-0.1273
31	W	A	0.7940
32	C	A	0.1768
33	G	A	-0.4354
34	P	A	-0.5242
35	C	A	0.0000
36	K	A	-1.4790
37	M	A	-0.1645
38	I	A	0.0000
39	K	A	-1.1991
40	P	A	-0.6910
41	F	A	-0.2533
42	F	A	0.0000
43	H	A	-0.9652
44	S	A	-1.1429
45	L	A	0.0000
46	S	A	0.0000
47	E	A	-2.5692
48	K	A	-2.6738
49	Y	A	-1.4891
50	S	A	-1.4564
51	N	A	-1.7716
52	V	A	0.0000
53	I	A	-0.0407
54	F	A	0.0000
55	L	A	0.0000
56	E	A	-1.3036
57	V	A	0.0000
58	D	A	-2.0725
59	V	A	-2.1903
60	N	A	-2.7834
61	D	A	-3.4807
62	C	A	0.0000
63	Q	A	-3.2868
64	D	A	-3.4873
65	V	A	0.0000
66	A	A	-2.7065
67	S	A	-2.7333
68	E	A	-3.0411
69	C	A	-2.2314
70	E	A	-2.8565
71	V	A	-1.6896
72	K	A	-1.7048
73	C	A	-0.3016
74	M	A	0.1448
75	P	A	0.0000
76	T	A	0.0000
77	F	A	0.0000
78	Q	A	0.0000
79	F	A	0.0000
80	F	A	0.0000
81	K	A	-2.7533
82	K	A	-3.7395
83	G	A	-3.0770
84	Q	A	-2.7308
85	K	A	-2.5260
86	V	A	-0.9308
87	G	A	-0.8494
88	E	A	-1.1798
89	F	A	-0.5267
90	S	A	-0.4338
91	G	A	-0.5253
92	A	A	-1.2626
93	N	A	-2.3273
94	K	A	-2.6269
95	E	A	-3.1651
96	K	A	-2.7447
97	L	A	0.0000
98	E	A	-2.1249
99	A	A	-2.0103
100	T	A	-1.5274
101	I	A	0.0000
102	N	A	-1.7087
103	E	A	-1.8666
104	L	A	-0.2173
105	V	A	0.3843