Project name: M-Qmutant [mutate: FK22A, FK62A, LK82A, FK133A, 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	LK82A,FK133A,FK22A,VK167A,FK62A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.111627 kcal/mol

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                                                       (00:01:11)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:03:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:39)

• Minimal score value: -3.372
• Maximal score value: 2.657
• Average score: 0.0226
• Total score value: 3.9276

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	-0.6668
14	A	A	-0.5419
15	P	A	-0.2544
16	Q	A	-0.8445
17	K	A	-0.8078
18	V	A	0.0386
19	L	A	0.3958
20	L	A	0.0000
21	A	A	0.1387
22	K	A	-0.5381	mutated: FK22A
23	S	A	0.0000
24	I	A	1.6775
25	T	A	1.0845
26	Y	A	1.8994
27	T	A	1.6964
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	1.6132
53	C	A	1.5229
54	A	A	1.4580
55	F	A	1.3782
56	T	A	1.1206
57	F	A	0.7004
58	G	A	0.0142
59	Y	A	0.0000
60	M	A	0.1632
61	T	A	-0.3414
62	K	A	-1.3807	mutated: FK62A
63	V	A	-0.1691
64	H	A	-0.5432
65	F	A	-0.3900
66	E	A	-1.9351
67	S	A	-1.7532
68	T	A	-1.1753
69	N	A	-1.6179
70	R	A	-1.4628
71	V	A	0.8311
72	A	A	0.4580
73	L	A	0.6829
74	T	A	0.8914
75	M	A	2.0743
76	G	A	1.4717
77	A	A	1.6860
78	V	A	1.9805
79	V	A	2.3716
80	A	A	1.9428
81	L	A	2.1619
82	K	A	0.5880	mutated: LK82A
83	W	A	1.4226
84	G	A	1.8714
85	V	A	2.0508
86	Y	A	1.8213
87	S	A	0.0000
88	A	A	1.4360
89	I	A	1.9533
90	E	A	0.9183
91	T	A	1.6885
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	-0.4043
120	A	A	-0.0423
121	G	A	-0.2184
122	F	A	0.3540
123	H	A	-0.3146
124	P	A	-0.4206
125	I	A	0.0000
126	A	A	-0.7636
127	A	A	-2.0261
128	N	A	-2.5801
129	D	A	-3.3720
130	N	A	-3.1808
131	H	A	-2.7761
132	A	A	-2.0206
133	K	A	-1.8952	mutated: FK133A
134	V	A	-0.6487
135	V	A	-0.7019
136	R	A	-2.1879
137	R	A	-1.9942
138	P	A	-1.4058
139	G	A	-1.2627
140	S	A	-0.8827
141	T	A	0.0000
142	T	A	-0.2061
143	V	A	0.0000
144	Q	A	-1.1075
145	G	A	-0.5409
146	T	A	0.3215
147	L	A	1.2730
148	V	A	0.0000
149	P	A	-0.2902
150	G	A	-0.7508
151	L	A	-0.6876
152	K	A	-1.6790
153	S	A	-0.8924
154	L	A	-0.6237
155	V	A	0.0000
156	L	A	0.0000
157	G	A	-2.0072
158	G	A	0.0000
159	R	A	-2.3007
160	K	A	-1.9051
161	A	A	-1.1212
162	V	A	0.0010
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