Project name: a75a78570ecf8fe [mutate: GA21A]

Chain sequence(s)	A: GRFGGNPGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGSASNAGSGSGFNGGFGSSMDSKSSGWGM
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	GA21A
Energy difference between WT (input) and mutated protein (by FoldX)	0.749932 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                                                       (00:00:17)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:18)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)

• Minimal score value: -3.5632
• Maximal score value: 2.3577
• Average score: -0.6653
• Total score value: -93.8115

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	G	A	-0.9329
2	R	A	-1.2059
3	F	A	0.3776
4	G	A	-0.5276
5	G	A	-1.1742
6	N	A	-1.6886
7	P	A	-1.1999
8	G	A	-0.7249
9	G	A	-0.2771
10	F	A	0.9198
11	G	A	-0.7564
12	N	A	-1.9362
13	Q	A	-1.8497
14	G	A	-1.2180
15	G	A	-0.5342
16	F	A	0.8664
17	G	A	-0.7041
18	N	A	-1.7516
19	S	A	-1.6228
20	R	A	-2.5565
21	A	A	-1.4683	mutated: GA21A
22	G	A	-1.1810
23	G	A	-0.8157
24	A	A	-0.1729
25	G	A	-0.2349
26	L	A	0.5112
27	G	A	-1.0641
28	N	A	-2.1746
29	N	A	-2.7379
30	Q	A	-2.7060
31	G	A	-1.9537
32	S	A	-1.2787
33	N	A	-1.5297
34	M	A	-0.0126
35	G	A	-0.4885
36	G	A	-0.6976
37	G	A	-0.3977
38	M	A	0.5538
39	N	A	0.1386
40	F	A	2.0596
41	G	A	0.9169
42	A	A	1.3174
43	F	A	2.3577
44	S	A	1.1943
45	I	A	1.7567
46	N	A	-0.0199
47	P	A	0.0729
48	A	A	0.2575
49	M	A	0.8282
50	M	A	0.9270
51	A	A	0.2017
52	A	A	0.1096
53	A	A	0.0046
54	Q	A	-0.8874
55	A	A	-0.5317
56	A	A	-0.1745
57	L	A	-0.1568
58	Q	A	-0.9525
59	S	A	-0.3064
60	S	A	0.3046
61	W	A	1.2161
62	G	A	0.5006
63	M	A	1.2445
64	M	A	1.7661
65	G	A	0.8514
66	M	A	1.0776
67	L	A	1.0964
68	A	A	-0.2365
69	S	A	-1.0343
70	Q	A	-1.9573
71	Q	A	-2.5006
72	N	A	-2.8311
73	Q	A	-2.9039
74	S	A	-2.1641
75	G	A	-1.6846
76	P	A	-1.1558
77	S	A	-1.4447
78	G	A	-1.9443
79	N	A	-2.7748
80	N	A	-3.2505
81	Q	A	-3.3482
82	N	A	-3.3878
83	Q	A	-2.8112
84	G	A	-2.1118
85	N	A	-2.0421
86	M	A	-1.2160
87	Q	A	-2.4647
88	R	A	-3.4264
89	E	A	-3.5632
90	P	A	-2.6246
91	N	A	-2.5325
92	Q	A	-1.6074
93	A	A	-0.1154
94	F	A	1.1249
95	G	A	-0.1178
96	S	A	-0.7835
97	G	A	-1.4961
98	N	A	-2.1460
99	N	A	-1.7968
100	S	A	-0.7449
101	Y	A	0.3302
102	S	A	-0.1226
103	G	A	-0.3680
104	S	A	-0.9028
105	N	A	-1.5693
106	S	A	-1.1235
107	G	A	-0.7397
108	A	A	0.0995
109	A	A	0.7435
110	I	A	2.0219
111	G	A	0.9536
112	W	A	1.2324
113	G	A	0.1329
114	S	A	-0.4008
115	A	A	-0.4721
116	S	A	-0.9809
117	N	A	-1.4723
118	A	A	-0.9341
119	G	A	-0.9979
120	S	A	-0.7053
121	G	A	-0.6713
122	S	A	-0.5052
123	G	A	-0.0161
124	F	A	0.8592
125	N	A	-0.4896
126	G	A	-0.1870
127	G	A	0.1090
128	F	A	1.1968
129	G	A	0.2935
130	S	A	-0.0149
131	S	A	-0.2648
132	M	A	-0.3430
133	D	A	-1.9856
134	S	A	-1.7306
135	K	A	-2.4102
136	S	A	-1.4320
137	S	A	-0.8020
138	G	A	-0.2961
139	W	A	0.9006
140	G	A	0.4675
141	M	A	1.0545