Project name: design1

Chain sequence(s)	A: MEEHLVARLRELLRKIIEKCDYVIHDLRIAHPRAVEVIREVVPAEKLLEVGKDDEKAVEIINSGKLVGRVIRNEEAVKFLTPEQQARRARLHKEFFGKHPEIKYETTSDGDPYLEIRVSYKNRP
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                                          (00:03:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:00)

• Minimal score value: -3.8739
• Maximal score value: 0.3343
• Average score: -1.6251
• Total score value: -201.5104

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	-0.4715
2	E	A	-2.4416
3	E	A	-2.9899
4	H	A	-1.8699
5	L	A	0.0000
6	V	A	0.0000
7	A	A	-2.5178
8	R	A	-2.9820
9	L	A	0.0000
10	R	A	-3.8557
11	E	A	-3.8739
12	L	A	0.0000
13	L	A	0.0000
14	R	A	-3.8069
15	K	A	-3.4864
16	I	A	0.0000
17	I	A	-1.8421
18	E	A	-3.2298
19	K	A	-2.8876
20	C	A	0.0000
21	D	A	-1.0525
22	Y	A	-0.5545
23	V	A	0.0000
24	I	A	-0.2438
25	H	A	0.0000
26	D	A	-1.1523
27	L	A	-1.3777
28	R	A	-2.0767
29	I	A	-1.3632
30	A	A	-1.2522
31	H	A	-2.0941
32	P	A	-2.1269
33	R	A	-3.3552
34	A	A	0.0000
35	V	A	-2.4770
36	E	A	-3.7328
37	V	A	0.0000
38	I	A	0.0000
39	R	A	-3.4179
40	E	A	-3.3096
41	V	A	-2.3528
42	V	A	0.0000
43	P	A	-1.4405
44	A	A	-1.6790
45	E	A	-2.0596
46	K	A	-1.3428
47	L	A	-1.2068
48	L	A	0.0000
49	E	A	-1.9497
50	V	A	-1.4801
51	G	A	-1.7649
52	K	A	-2.8816
53	D	A	-2.7478
54	D	A	-2.6462
55	E	A	-3.3677
56	K	A	-3.3799
57	A	A	0.0000
58	V	A	-2.2729
59	E	A	-3.0770
60	I	A	0.0000
61	I	A	0.0000
62	N	A	-2.3975
63	S	A	-1.8089
64	G	A	-2.2430
65	K	A	-1.9237
66	L	A	-1.0789
67	V	A	0.0000
68	G	A	0.0000
69	R	A	-0.1183
70	V	A	0.0000
71	I	A	-0.1115
72	R	A	-0.9584
73	N	A	-1.8906
74	E	A	-2.9397
75	E	A	-2.8766
76	A	A	0.0000
77	V	A	-1.3013
78	K	A	-1.8251
79	F	A	0.3343
80	L	A	-0.1706
81	T	A	-0.7693
82	P	A	-1.4861
83	E	A	-2.4041
84	Q	A	-2.1537
85	Q	A	-1.8758
86	A	A	-1.8792
87	R	A	-2.7097
88	R	A	-2.4566
89	A	A	-2.5122
90	R	A	-3.4060
91	L	A	-2.3891
92	H	A	-2.6828
93	K	A	-3.8708
94	E	A	-3.6517
95	F	A	-2.3394
96	F	A	-2.3026
97	G	A	-2.7709
98	K	A	-2.9524
99	H	A	-2.4288
100	P	A	-2.3863
101	E	A	-2.9369
102	I	A	0.0000
103	K	A	-2.2975
104	Y	A	-1.1346
105	E	A	-1.2487
106	T	A	-0.6760
107	T	A	-0.9072
108	S	A	-1.3307
109	D	A	-2.1100
110	G	A	-1.4812
111	D	A	-1.2772
112	P	A	-1.2638
113	Y	A	-1.0753
114	L	A	0.0000
115	E	A	-0.8507
116	I	A	0.0000
117	R	A	-0.6744
118	V	A	0.0000
119	S	A	0.0000
120	Y	A	0.0000
121	K	A	-2.8054
122	N	A	-2.8122
123	R	A	-2.7762
124	P	A	-1.6243