Project name: a75a78570ecf8fe [mutate: SD137A, SD136A, SD134A, SD130A, SD131A, SD122A, SD120A, SD114A, SD116A] [mutate: DA114A, DA116A, DA120A, DA122A, DA130A, DA131A, DA134A, DA136A, DA137A]

Chain sequence(s)	A: GRFGGNPGGFGNQGGFGNSRGGGAGLGNNQGSNMGGGMNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQREPNQAFGSGNNSYSGSNSGAAIGWGDADNAGDGDGFNGGFGDDMDDKDDGWGM
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	DA114A,DA116A,DA136A,DA120A,DA131A,DA130A,DA137A,DA122A,DA134A
Energy difference between WT (input) and mutated protein (by FoldX)	4.6137 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                                       (00:00:18)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:27)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:44)

• Minimal score value: -3.5632
• Maximal score value: 2.353
• Average score: -0.6329
• Total score value: -89.2353

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	-1.8334
19	S	A	-1.7750
20	R	A	-2.8147
21	G	A	-1.9931
22	G	A	-1.4403
23	G	A	-0.9688
24	A	A	-0.2346
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	0.1356
40	F	A	2.0581
41	G	A	0.9157
42	A	A	1.3142
43	F	A	2.3530
44	S	A	1.2067
45	I	A	1.7873
46	N	A	-0.0119
47	P	A	0.0739
48	A	A	0.2483
49	M	A	0.8055
50	M	A	0.9175
51	A	A	0.1892
52	A	A	0.0964
53	A	A	-0.0064
54	Q	A	-0.8943
55	A	A	-0.5367
56	A	A	-0.1768
57	L	A	-0.1603
58	Q	A	-0.9542
59	S	A	-0.3068
60	S	A	0.3049
61	W	A	1.2172
62	G	A	0.5019
63	M	A	1.2471
64	M	A	1.7715
65	G	A	0.8540
66	M	A	1.0793
67	L	A	1.0983
68	A	A	-0.2351
69	S	A	-1.0335
70	Q	A	-1.9567
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	0.9962
112	W	A	1.3017
113	G	A	0.3083
114	A	A	-0.0518	mutated: DA114A
115	A	A	-0.2063
116	A	A	-0.6319	mutated: DA116A
117	N	A	-1.3058
118	A	A	-0.8044
119	G	A	-0.8062
120	A	A	-0.3711	mutated: DA120A
121	G	A	-0.4073
122	A	A	-0.1709	mutated: DA122A
123	G	A	0.0925
124	F	A	0.8543
125	N	A	-0.5702
126	G	A	-0.4152
127	G	A	0.0317
128	F	A	1.2465
129	G	A	0.4821
130	A	A	0.3902	mutated: DA130A
131	A	A	0.1796	mutated: DA131A
132	M	A	-0.0513
133	D	A	-1.7011
134	A	A	-1.3029	mutated: DA134A
135	K	A	-2.0668
136	A	A	-0.9466	mutated: DA136A
137	A	A	-0.3615	mutated: DA137A
138	G	A	-0.0812
139	W	A	1.0088
140	G	A	0.5014
141	M	A	1.0545