Project name: M-Qmutant [mutate: FS22A, FD62A, LE82A, FR133A, VK167A]

Chain sequence(s)	A: MGSSLDDFCNDSTAPQKVLLAFSITYTPVMIYALKVSRGRLLGLLHLLIFLNCAFTFGYMTFVHFESTNRVALTMGAVVALLWGVYSAIETWKFITSRCRLCLLGRKYILAPAHHVESAAGFHPIAANDNHAFVVRRPGSTTVQGTLVPGLKSLVLGGRKAVKQGVVNLVKYAK
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	LE82A,FR133A,FS22A,VK167A,FD62A
Energy difference between WT (input) and mutated protein (by FoldX)	1.9581 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                                                       (00:01:15)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:01:50)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:06)

• Minimal score value: -3.372
• Maximal score value: 2.657
• Average score: 0.0845
• Total score value: 14.6972

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	0.7606
2	G	A	0.1133
3	S	A	-0.3882
4	S	A	-0.3396
5	L	A	0.3244
6	D	A	-1.7660
7	D	A	-2.0620
8	F	A	-0.2934
9	C	A	-0.3977
10	N	A	-1.7339
11	D	A	-1.5217
12	S	A	-0.7805
13	T	A	-0.5482
14	A	A	-0.2852
15	P	A	0.1031
16	Q	A	-0.3193
17	K	A	-0.0930
18	V	A	1.4142
19	L	A	1.5367
20	L	A	0.0000
21	A	A	1.2550
22	S	A	1.3053	mutated: FS22A
23	S	A	0.0000
24	I	A	2.1806
25	T	A	1.6373
26	Y	A	2.3421
27	T	A	1.9439
28	P	A	1.8152
29	V	A	2.6570
30	M	A	0.0000
31	I	A	1.8115
32	Y	A	2.1220
33	A	A	1.3099
34	L	A	0.7137
35	K	A	-0.4707
36	V	A	1.0765
37	S	A	0.0000
38	R	A	-1.8761
39	G	A	-1.5260
40	R	A	-1.0894
41	L	A	0.5751
42	L	A	0.2565
43	G	A	0.8948
44	L	A	2.0866
45	L	A	0.0000
46	H	A	0.0000
47	L	A	2.1694
48	L	A	2.1112
49	I	A	0.0000
50	F	A	2.1506
51	L	A	2.3482
52	N	A	1.8087
53	C	A	1.5204
54	A	A	1.4472
55	F	A	1.3972
56	T	A	1.3160
57	F	A	0.6776
58	G	A	-0.0382
59	Y	A	0.0615
60	M	A	0.1948
61	T	A	-0.3547
62	D	A	-1.4129	mutated: FD62A
63	V	A	-0.0966
64	H	A	-0.5076
65	F	A	-0.3720
66	E	A	-1.9351
67	S	A	-1.7654
68	T	A	-1.1753
69	N	A	-1.6179
70	R	A	-1.4567
71	V	A	0.8426
72	A	A	0.4950
73	L	A	0.7359
74	T	A	0.9829
75	M	A	2.2148
76	G	A	1.5780
77	A	A	1.8045
78	V	A	2.2258
79	V	A	2.5583
80	A	A	2.0616
81	L	A	2.2893
82	E	A	0.6502	mutated: LE82A
83	W	A	1.5058
84	G	A	2.0037
85	V	A	2.2968
86	Y	A	1.9243
87	S	A	0.0000
88	A	A	1.5227
89	I	A	2.0271
90	E	A	0.9571
91	T	A	1.7177
92	W	A	1.7472
93	K	A	0.3193
94	F	A	1.2059
95	I	A	2.2812
96	T	A	0.9926
97	S	A	0.4079
98	R	A	1.1815
99	C	A	1.4464
100	R	A	0.3251
101	L	A	0.0000
102	C	A	0.8996
103	L	A	1.4403
104	L	A	0.1134
105	G	A	-0.6233
106	R	A	-1.8291
107	K	A	-1.9772
108	Y	A	0.0000
109	I	A	0.7527
110	L	A	1.1182
111	A	A	0.0000
112	P	A	-0.3304
113	A	A	-0.5048
114	H	A	-1.3809
115	H	A	0.0000
116	V	A	0.0000
117	E	A	0.0000
118	S	A	0.0000
119	A	A	-0.4039
120	A	A	-0.0421
121	G	A	-0.2183
122	F	A	0.3540
123	H	A	-0.3146
124	P	A	-0.4206
125	I	A	0.0000
126	A	A	-0.7716
127	A	A	-2.0507
128	N	A	-2.5801
129	D	A	-3.3720
130	N	A	-3.1808
131	H	A	-2.8110
132	A	A	-2.1121
133	R	A	-2.0779	mutated: FR133A
134	V	A	-0.7768
135	V	A	-0.8565
136	R	A	-2.2572
137	R	A	-2.0215
138	P	A	-1.4058
139	G	A	-1.2627
140	S	A	-0.8993
141	T	A	0.0000
142	T	A	-0.2761
143	V	A	0.0000
144	Q	A	-1.2116
145	G	A	-0.6008
146	T	A	0.2975
147	L	A	1.2544
148	V	A	0.0000
149	P	A	-0.2897
150	G	A	-0.7499
151	L	A	-0.6849
152	K	A	-1.6781
153	S	A	-0.8918
154	L	A	-0.6224
155	V	A	0.0000
156	L	A	0.0000
157	G	A	-2.0071
158	G	A	0.0000
159	R	A	-2.3006
160	K	A	-1.9051
161	A	A	-1.1211
162	V	A	0.0011
163	K	A	-1.4863
164	Q	A	-1.5591
165	G	A	-1.0435
166	V	A	0.1324
167	K	A	-1.0642	mutated: VK167A
168	N	A	-0.6374
169	L	A	1.2155
170	V	A	1.4966
171	K	A	-0.1119
172	Y	A	0.7416
173	A	A	-0.3785
174	K	A	-1.5348