Project name: AF-P37840_301e8c1ff068f28

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	AT53A
Energy difference between WT (input) and mutated protein (by FoldX)	0.3168 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:02:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:11)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:15)

• Minimal score value: -4.01
• Maximal score value: 3.3186
• Average score: -0.7683
• Total score value: -107.5672

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	1.2478
2	D	A	0.0106
3	V	A	1.8080
4	F	A	2.2447
5	M	A	0.8945
6	K	A	-0.9620
7	G	A	-0.5995
8	L	A	-0.4135
9	S	A	-1.5160
10	K	A	-2.5684
11	A	A	-1.5764
12	K	A	-2.1648
13	E	A	-2.1459
14	G	A	-0.9375
15	V	A	0.6361
16	V	A	0.5341
17	A	A	-0.6896
18	A	A	-0.8113
19	A	A	-1.1363
20	E	A	-2.7185
21	K	A	-2.9316
22	T	A	-2.2989
23	K	A	-3.2342
24	Q	A	-3.1530
25	G	A	-1.9434
26	V	A	-0.3279
27	A	A	-1.3953
28	E	A	-2.6053
29	A	A	-1.6892
30	A	A	-1.5534
31	G	A	-2.3730
32	K	A	-3.1247
33	T	A	-1.8494
34	K	A	-2.3104
35	E	A	-1.7752
36	G	A	0.0677
37	V	A	1.6759
38	L	A	1.7028
39	Y	A	1.8296
40	V	A	1.9626
41	G	A	0.5702
42	S	A	-0.3326
43	K	A	-1.3453
44	T	A	-1.0176
45	K	A	-2.0415
46	E	A	-2.3354
47	G	A	-1.1588
48	V	A	1.0777
49	V	A	1.4034
50	H	A	0.1658
51	G	A	1.0358
52	V	A	2.3597
53	T	A	0.9111	mutated: AT53A
54	T	A	0.1829
55	V	A	0.7297
56	A	A	-1.0725
57	E	A	-2.9498
58	K	A	-3.0474
59	T	A	-2.4229
60	K	A	-3.3751
61	E	A	-3.7751
62	Q	A	-2.6906
63	V	A	-0.5333
64	T	A	-1.0980
65	N	A	-1.2549
66	V	A	0.9118
67	G	A	1.0394
68	G	A	0.7991
69	A	A	1.6540
70	V	A	2.9855
71	V	A	3.3186
72	T	A	2.0511
73	G	A	2.1099
74	V	A	3.0353
75	T	A	1.5156
76	A	A	0.9716
77	V	A	1.6667
78	A	A	0.4881
79	Q	A	-0.9047
80	K	A	-1.5634
81	T	A	-0.5345
82	V	A	0.3204
83	E	A	-1.6111
84	G	A	-0.7187
85	A	A	0.1566
86	G	A	0.0184
87	S	A	0.3025
88	I	A	1.9308
89	A	A	1.3146
90	A	A	1.2271
91	A	A	1.0751
92	T	A	1.1981
93	G	A	0.8588
94	F	A	2.0330
95	V	A	0.9112
96	K	A	-1.6839
97	K	A	-2.6268
98	D	A	-3.1693
99	Q	A	-2.5647
100	L	A	-0.8736
101	G	A	-1.9952
102	K	A	-3.0640
103	N	A	-3.4809
104	E	A	-4.0100
105	E	A	-3.5416
106	G	A	-2.3426
107	A	A	-1.7675
108	P	A	-1.8165
109	Q	A	-2.1118
110	E	A	-1.7986
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