Project name: AF-P37840_7a95c5b8265016a

Chain sequence(s)	A: MDVFMKGLSKAKEGVVAAAEKTKQGVAEAAGKTKEGVLYVGSKTKEGVVHGVATVAEKTKEQVTNVGGAVVTGVTAVAQKTVEGAGSIAAATGFVKKDQLGKNEEGAPQEGILEDMPVDPDNEAYEMPSEEGYQDYEPEA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	AS107A,NS103A
Energy difference between WT (input) and mutated protein (by FoldX)	0.318654 kcal/mol

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                                                       (00:02:36)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:37)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:32)

• Minimal score value: -3.6841
• Maximal score value: 3.4018
• Average score: -0.7388
• Total score value: -103.4375

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	1.2446
2	D	A	-0.0075
3	V	A	1.7792
4	F	A	2.2153
5	M	A	0.8656
6	K	A	-1.0425
7	G	A	-0.6682
8	L	A	-0.4743
9	S	A	-1.5551
10	K	A	-2.6015
11	A	A	-1.6026
12	K	A	-2.1838
13	E	A	-2.1521
14	G	A	-0.9402
15	V	A	0.6376
16	V	A	0.5354
17	A	A	-0.6881
18	A	A	-0.8093
19	A	A	-1.1258
20	E	A	-2.7068
21	K	A	-2.9112
22	T	A	-2.2643
23	K	A	-3.2002
24	Q	A	-3.0974
25	G	A	-1.8445
26	V	A	-0.2680
27	A	A	-1.3343
28	E	A	-2.5025
29	A	A	-1.6283
30	A	A	-1.5148
31	G	A	-2.3314
32	K	A	-3.1031
33	T	A	-1.8385
34	K	A	-2.3034
35	E	A	-1.7769
36	G	A	0.0645
37	V	A	1.6848
38	L	A	1.7151
39	Y	A	1.8566
40	V	A	2.0005
41	G	A	0.6134
42	S	A	-0.2711
43	K	A	-1.2456
44	T	A	-0.9636
45	K	A	-2.0002
46	E	A	-2.2895
47	G	A	-1.1173
48	V	A	1.1077
49	V	A	1.4386
50	H	A	0.1977
51	G	A	1.0635
52	V	A	2.4029
53	A	A	0.9978
54	T	A	0.2221
55	V	A	0.7601
56	A	A	-1.0314
57	E	A	-2.9222
58	K	A	-3.0312
59	T	A	-2.4060
60	K	A	-3.3083
61	E	A	-3.6841
62	Q	A	-2.5154
63	V	A	-0.3230
64	T	A	-0.9117
65	N	A	-0.9589
66	V	A	1.5263
67	G	A	1.3333
68	G	A	0.9930
69	A	A	1.8718
70	V	A	3.1483
71	V	A	3.4018
72	T	A	2.1099
73	G	A	2.0944
74	V	A	3.0166
75	T	A	1.4825
76	A	A	0.9237
77	V	A	1.6292
78	A	A	0.4363
79	Q	A	-1.0045
80	K	A	-1.6132
81	T	A	-0.5676
82	V	A	0.2884
83	E	A	-1.6365
84	G	A	-0.7327
85	A	A	0.1472
86	G	A	-0.0213
87	S	A	0.3027
88	I	A	1.9310
89	A	A	1.2180
90	A	A	1.1351
91	A	A	1.0269
92	T	A	1.1332
93	G	A	0.7304
94	F	A	1.8390
95	V	A	0.5119
96	K	A	-1.8782
97	K	A	-2.7569
98	D	A	-3.2269
99	Q	A	-2.4407
100	L	A	-0.6922
101	G	A	-1.7543
102	K	A	-2.5342
103	S	A	-2.4208	mutated: NS103A
104	E	A	-3.5236
105	E	A	-3.3859
106	G	A	-2.3246
107	S	A	-2.0388	mutated: AS107A
108	P	A	-1.9492
109	Q	A	-2.1941
110	E	A	-1.8427
111	G	A	-0.6105
112	I	A	0.8194
113	L	A	0.9009
114	E	A	-0.9854
115	D	A	-1.1813
116	M	A	-0.0075
117	P	A	-0.2989
118	V	A	0.2473
119	D	A	-2.1804
120	P	A	-2.2639
121	D	A	-3.4454
122	N	A	-3.0805
123	E	A	-3.1103
124	A	A	-1.3561
125	Y	A	-0.0930
126	E	A	-1.0333
127	M	A	0.0492
128	P	A	-0.9962
129	S	A	-1.9094
130	E	A	-2.5436
131	E	A	-2.8674
132	G	A	-1.9756
133	Y	A	-0.6972
134	Q	A	-1.7345
135	D	A	-1.9995
136	Y	A	-0.9296
137	E	A	-2.5289
138	P	A	-1.8737
139	E	A	-2.2307
140	A	A	-1.1604