Project name: jehad fakhouri [mutate: KN60A]

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDMPQLNPAPWLSILVFSWLVFLIILPPKVMAHTYPNEPTPQSTEKPKGEPWNWPWH
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	KN60A
Energy difference between WT (input) and mutated protein (by FoldX)	1.02869 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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]       FoldX:    Building mutant model                                                       (00:03:54)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:04:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:27)

• Minimal score value: -2.3339
• Maximal score value: 2.3952
• Average score: -0.1072
• Total score value: -16.3949

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	0.7267
2	D	A	-1.2730
3	V	A	1.7999
4	F	A	2.3952
5	M	A	0.8272
6	K	A	-1.6390
7	G	A	-0.5763
8	L	A	0.6335
9	S	A	-0.2510
10	K	A	-1.7003
11	A	A	-0.5522
12	K	A	-1.9521
13	E	A	-2.1809
14	G	A	-0.3562
15	V	A	2.0324
16	V	A	2.1031
17	A	A	0.3212
18	A	A	0.0478
19	A	A	-0.1299
20	E	A	-2.1265
21	K	A	-2.1661
22	T	A	-0.6891
23	K	A	-1.9314
24	Q	A	-1.7545
25	G	A	-0.3044
26	V	A	1.7091
27	A	A	0.0343
28	E	A	-1.8069
29	A	A	-0.2867
30	A	A	-0.0214
31	G	A	-0.9396
32	K	A	-1.7947
33	T	A	-0.7427
34	K	A	-1.9862
35	E	A	-1.5217
36	G	A	-0.3766
37	V	A	1.8762
38	L	A	1.4659
39	Y	A	1.5758
40	V	A	0.6110
41	G	A	-0.0595
42	S	A	-0.3575
43	K	A	-1.7090
44	T	A	-0.6702
45	K	A	-2.0363
46	E	A	-2.1798
47	G	A	-0.3484
48	V	A	1.5940
49	V	A	1.5267
50	H	A	-0.2436
51	G	A	0.1996
52	V	A	1.7460
53	A	A	0.3091
54	T	A	0.2822
55	V	A	1.7718
56	A	A	0.0350
57	E	A	-2.1222
58	K	A	-2.0413
59	T	A	-0.4287
60	N	A	-0.5352	mutated: KN60A
61	E	A	-1.1153
62	Q	A	-1.2685
63	V	A	0.0958
64	T	A	-0.2063
65	N	A	-1.1642
66	V	A	0.3848
67	G	A	0.0000
68	G	A	-0.3541
69	A	A	0.1435
70	V	A	0.6315
71	V	A	0.6705
72	T	A	-0.0098
73	G	A	-0.1338
74	V	A	0.3504
75	T	A	0.0481
76	A	A	0.3445
77	V	A	1.5772
78	A	A	0.1092
79	Q	A	-1.5073
80	K	A	-1.7213
81	T	A	-0.3807
82	V	A	0.0000
83	E	A	-1.8737
84	G	A	-0.6237
85	A	A	-0.1201
86	G	A	-0.5018
87	S	A	0.0696
88	I	A	1.9810
89	A	A	0.4181
90	A	A	0.0246
91	A	A	0.0562
92	T	A	-0.1454
93	G	A	-0.1177
94	F	A	2.1324
95	V	A	1.5615
96	K	A	-1.7340
97	K	A	-2.3339
98	D	A	-2.0976
1	M	A	1.0084
2	P	A	-0.2853
3	Q	A	-0.9634
4	L	A	1.2173
5	N	A	-0.3837
6	P	A	-0.3539
7	A	A	0.0033
8	P	A	0.1705
9	W	A	1.6621
10	L	A	1.7238
11	S	A	0.4303
12	I	A	2.1357
13	L	A	0.8857
14	V	A	2.0399
15	F	A	2.2271
16	S	A	0.4934
17	W	A	1.4135
18	L	A	1.2040
19	V	A	0.4947
20	F	A	1.0953
21	L	A	2.0241
22	I	A	2.3864
23	I	A	1.0535
24	L	A	0.0000
25	P	A	-0.1177
26	P	A	-0.5764
27	K	A	-1.6845
28	V	A	0.2255
29	M	A	1.1259
30	A	A	0.1698
31	H	A	-0.4392
32	T	A	-0.1164
33	Y	A	0.1251
34	P	A	-0.2829
35	N	A	-0.7162
36	E	A	-1.8970
37	P	A	-0.4315
38	T	A	-0.1329
39	P	A	-0.3723
40	Q	A	-0.6492
41	S	A	-0.3288
42	T	A	-0.4537
43	E	A	-2.1471
44	K	A	-2.0819
45	P	A	-0.8727
46	K	A	-1.8329
47	G	A	-1.0707
48	E	A	-1.6896
49	P	A	-0.3185
50	W	A	0.9056
51	N	A	-0.8392
52	W	A	0.9257
53	P	A	0.2709
54	W	A	0.9741
55	H	A	-0.7712