Project name: 271c5813cc532a

Chain sequence(s)	A: EIKKMLEKAIKKVKEMLEKMIKEIKCMLENGEDSEKILKKAKEMAEKILKMVIELAEKILCKAGNEEIKKMLEKAIKKVKEMLEKMIKEIKCMLENGEDSEKILKKAKEMAEKILKMVIELAEKILCK
Selected Chain(s)	A
Distance of aggregation	5 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                                          (00:14:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:14:02)

• Minimal score value: -2.1761
• Maximal score value: 0.744
• Average score: -0.8135
• Total score value: -104.1222

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	-1.7660
2	I	A	-0.3408
3	K	A	-1.9377
4	K	A	-1.9731
5	M	A	-0.1270
6	L	A	0.0000
7	E	A	-1.2857
8	K	A	-1.2889
9	A	A	-0.1484
10	I	A	-0.0422
11	K	A	-1.5873
12	K	A	-1.0532
13	V	A	0.0000
14	K	A	-1.3840
15	E	A	-1.9868
16	M	A	-0.3168
17	L	A	0.0000
18	E	A	-1.6663
19	K	A	-1.4109
20	M	A	0.0000
21	I	A	0.0000
22	K	A	-1.7527
23	E	A	-0.8032
24	I	A	0.0000
25	K	A	-0.8092
26	C	A	0.4978
27	M	A	0.0000
28	L	A	-0.1182
29	E	A	-2.0226
30	N	A	-1.6993
31	G	A	-0.8443
32	E	A	-1.2011
33	D	A	-1.9482
34	S	A	-0.7355
35	E	A	-2.0722
36	K	A	-1.6353
37	I	A	0.0000
38	L	A	0.0000
39	K	A	-1.5869
40	K	A	-0.8608
41	A	A	0.0000
42	K	A	-1.4416
43	E	A	-1.5485
44	M	A	0.0000
45	A	A	0.0000
46	E	A	-2.0198
47	K	A	-1.4172
48	I	A	0.0000
49	L	A	-0.1075
50	K	A	-1.6319
51	M	A	-0.1264
52	V	A	0.3754
53	I	A	0.5428
54	E	A	-1.6303
55	L	A	-0.1520
56	A	A	0.0000
57	E	A	-2.0371
58	K	A	-1.6417
59	I	A	0.0000
60	L	A	0.1887
61	C	A	0.4715
62	K	A	-1.5666
63	A	A	-0.3762
64	G	A	-0.5473
65	N	A	-0.8810
66	E	A	-2.1761
67	E	A	-1.3030
68	I	A	0.0000
69	K	A	-1.3996
70	K	A	-1.8360
71	M	A	-0.1769
72	L	A	0.0000
73	E	A	-1.7420
74	K	A	-1.5641
75	A	A	-0.1762
76	I	A	0.0612
77	K	A	-1.2578
78	K	A	-0.9685
79	V	A	0.0000
80	K	A	-1.6681
81	E	A	-2.0374
82	M	A	-0.3107
83	L	A	0.0000
84	E	A	-2.0525
85	K	A	-1.5632
86	M	A	0.0000
87	I	A	-0.0803
88	K	A	-1.6622
89	E	A	-0.7326
90	I	A	0.0000
91	K	A	-0.9542
92	C	A	0.3791
93	M	A	0.0000
94	L	A	-0.1517
95	E	A	-2.0241
96	N	A	-1.6940
97	G	A	-0.8970
98	E	A	-1.4995
99	D	A	-2.0057
100	S	A	-0.7423
101	E	A	-2.0110
102	K	A	-1.2812
103	I	A	0.0000
104	L	A	-0.1648
105	K	A	-1.7719
106	K	A	-0.8507
107	A	A	0.0000
108	K	A	-1.4997
109	E	A	-1.6054
110	M	A	0.0000
111	A	A	0.0000
112	E	A	-2.0800
113	K	A	-1.8306
114	I	A	0.0000
115	L	A	-0.3251
116	K	A	-1.6438
117	M	A	-0.1542
118	V	A	0.3638
119	I	A	0.4021
120	E	A	-1.6610
121	L	A	-0.3094
122	A	A	0.0000
123	E	A	-2.0652
124	K	A	-1.6553
125	I	A	0.0000
126	L	A	0.7440
127	C	A	0.5318
128	K	A	-1.5657