Project name: design2

Chain sequence(s)	A: MEKELIENLRKHLKKLLELCDYVVANLEIARPEAVEVIRELVPEERLLEVGKDDEKAVEIIKAGKRIGQVIRNEQGVVFLTPEQQALRKELEEKFFGEHPWIKSEITTDGDPYLELRVSYGPRP
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                                          (00:02:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:00)

• Minimal score value: -4.2976
• Maximal score value: 1.9375
• Average score: -1.4026
• Total score value: -173.9182

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	-0.9086
2	E	A	-2.7266
3	K	A	-3.4999
4	E	A	-3.3675
5	L	A	0.0000
6	I	A	-2.7131
7	E	A	-3.4253
8	N	A	-2.7823
9	L	A	0.0000
10	R	A	-3.3185
11	K	A	-3.3383
12	H	A	0.0000
13	L	A	0.0000
14	K	A	-3.2985
15	K	A	-2.7288
16	L	A	0.0000
17	L	A	-1.5494
18	E	A	-2.1178
19	L	A	-0.5684
20	C	A	0.0000
21	D	A	-1.2598
22	Y	A	-1.1110
23	V	A	0.0000
24	V	A	0.0000
25	A	A	-0.2976
26	N	A	-0.9585
27	L	A	-1.3172
28	E	A	-1.8128
29	I	A	-1.1684
30	A	A	-1.0262
31	R	A	-1.5728
32	P	A	-1.5800
33	E	A	-2.3949
34	A	A	0.0000
35	V	A	-2.1653
36	E	A	-3.3094
37	V	A	0.0000
38	I	A	0.0000
39	R	A	-3.7091
40	E	A	-3.5215
41	L	A	-2.4496
42	V	A	0.0000
43	P	A	-2.3215
44	E	A	-3.4241
45	E	A	-2.8657
46	R	A	-1.9075
47	L	A	-1.8126
48	L	A	0.0000
49	E	A	-1.7674
50	V	A	-1.4493
51	G	A	-1.8616
52	K	A	-2.8429
53	D	A	-2.7516
54	D	A	-2.7651
55	E	A	-3.4449
56	K	A	-3.4469
57	A	A	0.0000
58	V	A	0.0000
59	E	A	-3.4454
60	I	A	0.0000
61	I	A	0.0000
62	K	A	-2.9327
63	A	A	-1.9263
64	G	A	-2.2292
65	K	A	-2.3960
66	R	A	-1.5878
67	I	A	0.0000
68	G	A	0.0000
69	Q	A	0.0338
70	V	A	-0.1095
71	I	A	0.3211
72	R	A	-0.3155
73	N	A	-1.1424
74	E	A	-1.8726
75	Q	A	-1.2719
76	G	A	0.0000
77	V	A	0.5325
78	V	A	1.8378
79	F	A	1.9375
80	L	A	0.0000
81	T	A	-0.1713
82	P	A	-0.9230
83	E	A	-2.3033
84	Q	A	-1.8676
85	Q	A	-1.3343
86	A	A	-1.8878
87	L	A	-1.9977
88	R	A	-2.5540
89	K	A	-3.8475
90	E	A	-3.8050
91	L	A	-2.6875
92	E	A	-3.1383
93	E	A	-4.2976
94	K	A	-3.9561
95	F	A	-2.3190
96	F	A	-1.7469
97	G	A	-2.6265
98	E	A	-2.6764
99	H	A	-1.5296
100	P	A	-1.1469
101	W	A	-0.5309
102	I	A	0.0000
103	K	A	-1.6639
104	S	A	-1.1879
105	E	A	-1.1780
106	I	A	0.8137
107	T	A	0.0329
108	T	A	-0.4785
109	D	A	-1.4556
110	G	A	-1.0789
111	D	A	0.0000
112	P	A	-0.8929
113	Y	A	-0.4837
114	L	A	0.0000
115	E	A	-0.1772
116	L	A	0.0000
117	R	A	-0.0402
118	V	A	0.0000
119	S	A	0.0000
120	Y	A	0.0000
121	G	A	0.0000
122	P	A	-1.8714
123	R	A	-2.4592
124	P	A	-1.2254