Project name: A29S [mutate: AS29A]

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	AS29A
Energy difference between WT (input) and mutated protein (by FoldX)	0.740442 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                                                       (00:01:31)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:32)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:21)

• Minimal score value: -3.9589
• Maximal score value: 3.1118
• Average score: -0.9156
• Total score value: -128.1892

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	0.8612
2	D	A	0.1300
3	V	A	1.8630
4	F	A	2.0393
5	M	A	0.9362
6	K	A	-0.7654
7	G	A	-0.5641
8	L	A	-0.3217
9	S	A	-1.8636
10	K	A	-2.7826
11	A	A	-1.7057
12	K	A	-2.0154
13	E	A	-2.1919
14	G	A	-0.6913
15	V	A	0.8991
16	V	A	0.8291
17	A	A	-0.5653
18	A	A	-0.8578
19	A	A	-1.1136
20	E	A	-2.9491
21	K	A	-3.1914
22	T	A	-2.1041
23	K	A	-3.2793
24	Q	A	-3.1654
25	G	A	-1.8410
26	V	A	-0.3126
27	A	A	-1.4340
28	E	A	-2.6330
29	S	A	-1.5553	mutated: AS29A
30	A	A	-1.6056
31	G	A	-2.7188
32	K	A	-3.3069
33	T	A	-2.3489
34	K	A	-2.9736
35	E	A	-2.1625
36	G	A	-0.7209
37	V	A	1.3187
38	L	A	1.5811
39	Y	A	1.7626
40	V	A	0.5381
41	G	A	-0.5295
42	S	A	-1.0971
43	K	A	-2.1545
44	T	A	-1.8894
45	K	A	-2.6714
46	E	A	-2.5858
47	G	A	-1.5646
48	V	A	-0.1986
49	V	A	0.6181
50	H	A	-0.1590
51	G	A	0.6947
52	V	A	2.3613
53	A	A	0.8787
54	T	A	0.3822
55	V	A	0.8243
56	A	A	-0.7842
57	E	A	-2.8797
58	K	A	-3.3262
59	T	A	-2.3817
60	K	A	-3.6165
61	E	A	-3.9589
62	Q	A	-2.7442
63	V	A	-0.2719
64	T	A	-1.4383
65	N	A	-1.4139
66	V	A	0.7830
67	G	A	0.5883
68	G	A	0.7525
69	A	A	1.6568
70	V	A	3.1118
71	V	A	3.0507
72	T	A	1.9770
73	G	A	2.1610
74	V	A	2.9698
75	T	A	1.4707
76	A	A	0.9250
77	V	A	1.3363
78	A	A	0.3328
79	Q	A	-1.1657
80	K	A	-1.5472
81	T	A	-0.6800
82	V	A	0.0318
83	E	A	-1.7263
84	G	A	-0.9857
85	A	A	0.0925
86	G	A	-0.1845
87	S	A	0.3192
88	I	A	1.4854
89	A	A	0.9223
90	A	A	1.2356
91	A	A	1.2745
92	T	A	1.0202
93	G	A	0.9125
94	F	A	1.8629
95	V	A	1.1823
96	K	A	-1.7131
97	K	A	-2.7409
98	D	A	-3.0747
99	Q	A	-2.2090
100	L	A	-0.6707
101	G	A	-1.6529
102	K	A	-2.9237
103	N	A	-3.5657
104	E	A	-3.8963
105	E	A	-3.7178
106	G	A	-2.2185
107	A	A	-1.7389
108	P	A	-1.9036
109	Q	A	-2.6294
110	E	A	-2.6409
111	G	A	-1.0182
112	I	A	1.0765
113	L	A	0.2774
114	E	A	-1.7030
115	D	A	-1.5661
116	M	A	-0.0010
117	P	A	-0.3697
118	V	A	-0.4627
119	D	A	-2.3943
120	P	A	-2.4507
121	D	A	-3.0182
122	N	A	-2.6292
123	E	A	-2.7906
124	A	A	-1.3322
125	Y	A	-0.3122
126	E	A	-1.9844
127	M	A	-0.8126
128	P	A	-1.2836
129	S	A	-1.6616
130	E	A	-2.7938
131	E	A	-2.7542
132	G	A	-2.0398
133	Y	A	-0.6750
134	Q	A	-1.8112
135	D	A	-2.2074
136	Y	A	-1.0889
137	E	A	-2.3465
138	P	A	-1.8129
139	E	A	-2.0778
140	A	A	-1.1262