Project name: SSNA1 [mutate: IT85A, LA92A, VA95A, VK16A, IT75A]

Chain sequence(s)	A: MTQQGAALQNYNNELVKCIEELCQKREELCRQIQEEEDEKQRLQNEVRQLTEKLARVNENLARKIASRNEFDRTIAETEAAYLKILESSQTLLSVLKREAGNLTKATAPDQKSSGGRDS
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VA95A,IT75A,LA92A,VK16A,IT85A
Energy difference between WT (input) and mutated protein (by FoldX)	1.30024 kcal/mol CAUTION: Your mutation/s can destabilize the protein structure

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                                                       (00:01:04)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:34)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:33)

• Minimal score value: -5.71
• Maximal score value: 0.3055
• Average score: -2.1833
• Total score value: -259.8097

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	0.3055
2	T	A	-0.5119
3	Q	A	-1.4152
4	Q	A	-1.3524
5	G	A	-0.9246
6	A	A	-0.9420
7	A	A	-0.7872
8	L	A	-0.3190
9	Q	A	-1.7910
10	N	A	-2.0248
11	Y	A	-0.7140
12	N	A	-1.9111
13	N	A	-2.8301
14	E	A	-2.9838
15	L	A	-1.8323
16	K	A	-3.0100	mutated: VK16A
17	K	A	-3.2906
18	C	A	-1.5641
19	I	A	-0.7522
20	E	A	-3.1789
21	E	A	-3.3535
22	L	A	-2.0464
23	C	A	-2.2258
24	Q	A	-3.6088
25	K	A	-4.0376
26	R	A	-3.9547
27	E	A	-3.7271
28	E	A	-3.5235
29	L	A	-1.5547
30	C	A	-1.7318
31	R	A	-3.7340
32	Q	A	-3.0395
33	I	A	-1.9947
34	Q	A	-3.8305
35	E	A	-5.0359
36	E	A	-5.7100
37	E	A	-5.6436
38	D	A	-5.2345
39	E	A	-5.6895
40	K	A	-5.6954
41	Q	A	-4.9885
42	R	A	-4.7992
43	L	A	-2.8355
44	Q	A	-3.1828
45	N	A	-3.7775
46	E	A	-3.1164
47	V	A	-1.0908
48	R	A	-2.9006
49	Q	A	-2.5380
50	L	A	-1.0174
51	T	A	-1.1956
52	E	A	-2.3019
53	K	A	-1.6169
54	L	A	-0.6039
55	A	A	-1.5761
56	R	A	-2.4961
57	V	A	-0.9328
58	N	A	-2.2320
59	E	A	-3.2205
60	N	A	-2.3150
61	L	A	-1.1883
62	A	A	-1.7772
63	R	A	-2.8773
64	K	A	-2.6691
65	I	A	-0.5090
66	A	A	-1.4825
67	S	A	-2.1144
68	R	A	-2.8773
69	N	A	-2.8075
70	E	A	-2.8148
71	F	A	-1.1848
72	D	A	-3.1133
73	R	A	-3.4276
74	T	A	-2.2980
75	T	A	-2.0026	mutated: IT75A
76	A	A	-2.2470
77	E	A	-2.6702
78	T	A	-1.7664
79	E	A	-2.1545
80	A	A	-1.2713
81	A	A	-0.6770
82	Y	A	0.0879
83	L	A	-0.1651
84	K	A	-1.7546
85	T	A	-0.8029	mutated: IT85A
86	L	A	-0.3730
87	E	A	-2.0977
88	S	A	-1.3613
89	S	A	-0.9785
90	Q	A	-1.4449
91	T	A	-0.6146
92	A	A	-0.2287	mutated: LA92A
93	L	A	-0.1347
94	S	A	-0.8289
95	A	A	-0.9240	mutated: VA95A
96	L	A	-0.7296
97	K	A	-2.3465
98	R	A	-3.1740
99	E	A	-2.9772
100	A	A	-1.8489
101	G	A	-2.1844
102	N	A	-2.4260
103	L	A	-0.5786
104	T	A	-1.0412
105	K	A	-1.8872
106	A	A	-0.8201
107	T	A	-0.6298
108	A	A	-1.0850
109	P	A	-1.9013
110	D	A	-3.0624
111	Q	A	-3.0726
112	K	A	-3.1385
113	S	A	-1.9739
114	S	A	-1.5314
115	G	A	-1.8123
116	G	A	-2.3143
117	R	A	-3.1441
118	D	A	-3.0233
119	S	A	-1.6173