Project name: GP5-4Qmutant [mutate: YS24A, IS42A, VS72A, IS111A, VS159A]

Chain sequence(s)	A: MLGKCLTACCCSRLLFLWCIVPFYLAVLVQASNNQSSHIQLIYQLTLCELQGTDWLAQKFDWAVETFVIFPVLTHIVSYGALTTSHFLDTVGLATVSTAGYYHGRYVLSSIYAVCALAALICFVIRLAKNCMSWRYSCTRYTNFLLDTKGRLYRWRSPVIVEKGGKVEVEGHLIDLKRVVLDGSAATPLTRVSAELWGRL
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	IS111A,IS42A,VS159A,YS24A,VS72A
Energy difference between WT (input) and mutated protein (by FoldX)	2.46042 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                                                       (00:01:48)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:14)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:49)

• Minimal score value: -2.8041
• Maximal score value: 3.5924
• Average score: 0.3211
• Total score value: 64.212

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	1.3708
2	L	A	1.7629
3	G	A	0.3094
4	K	A	-0.5540
5	C	A	0.9200
6	L	A	1.6894
7	T	A	0.3949
8	A	A	0.5148
9	C	A	0.6301
10	C	A	0.4617
11	C	A	0.3695
12	S	A	-0.2086
13	R	A	-0.7923
14	L	A	0.6726
15	L	A	0.0000
16	F	A	1.1860
17	L	A	2.2745
18	W	A	2.4337
19	C	A	2.0243
20	I	A	2.5426
21	V	A	2.8254
22	P	A	2.0670
23	F	A	3.1253
24	S	A	2.4017	mutated: YS24A
25	L	A	2.6154
26	A	A	2.0696
27	V	A	2.5421
28	L	A	2.2243
29	V	A	0.6721
30	Q	A	-0.3923
31	A	A	-0.0301
32	S	A	-1.0523
33	N	A	-2.2602
34	N	A	-2.6493
35	Q	A	-2.4097
36	S	A	-1.4447
37	S	A	-1.0067
38	H	A	-0.9592
39	I	A	-0.0594
40	Q	A	-0.6844
41	L	A	0.8924
42	S	A	0.7046	mutated: IS42A
43	Y	A	0.6991
44	Q	A	0.2113
45	L	A	1.4095
46	T	A	0.5869
47	L	A	0.4779
48	C	A	0.2423
49	E	A	-0.6839
50	L	A	-0.2964
51	Q	A	-1.1652
52	G	A	-1.4254
53	T	A	0.0000
54	D	A	-2.2333
55	W	A	-1.1926
56	L	A	0.0000
57	A	A	-1.7349
58	Q	A	-2.0111
59	K	A	-1.6569
60	F	A	-1.1329
61	D	A	-1.5347
62	W	A	-0.0532
63	A	A	0.0000
64	V	A	1.0731
65	E	A	0.3236
66	T	A	1.6140
67	F	A	2.9599
68	V	A	3.5924
69	I	A	3.2742
70	F	A	2.6289
71	P	A	2.3166
72	S	A	2.1386	mutated: VS72A
73	L	A	2.6011
74	T	A	0.0000
75	H	A	1.6597
76	I	A	2.7896
77	V	A	1.9991
78	S	A	1.6054
79	Y	A	1.8909
80	G	A	0.8016
81	A	A	0.5270
82	L	A	1.1330
83	T	A	1.0158
84	T	A	0.8322
85	S	A	0.0000
86	H	A	0.0000
87	F	A	2.6183
88	L	A	2.1083
89	D	A	1.2948
90	T	A	2.2812
91	V	A	2.4680
92	G	A	1.6287
93	L	A	1.6071
94	A	A	1.5421
95	T	A	0.9305
96	V	A	1.2415
97	S	A	0.0000
98	T	A	1.0480
99	A	A	0.8071
100	G	A	1.4830
101	Y	A	2.2076
102	Y	A	1.6377
103	H	A	0.4138
104	G	A	0.6726
105	R	A	1.0906
106	Y	A	2.4970
107	V	A	2.6072
108	L	A	1.7144
109	S	A	0.0000
110	S	A	1.6492
111	S	A	1.4079	mutated: IS111A
112	Y	A	2.0317
113	A	A	2.0127
114	V	A	2.5729
115	C	A	1.9809
116	A	A	0.0000
117	L	A	3.0028
118	A	A	2.1320
119	A	A	0.0000
120	L	A	3.3730
121	I	A	3.3566
122	C	A	2.5424
123	F	A	0.0000
124	V	A	3.2558
125	I	A	2.8196
126	R	A	1.4110
127	L	A	1.7480
128	A	A	1.0642
129	K	A	0.1956
130	N	A	-0.1412
131	C	A	0.4157
132	M	A	0.0174
133	S	A	0.0000
134	W	A	0.6731
135	R	A	-0.4936
136	Y	A	0.6908
137	S	A	0.6726
138	C	A	0.6832
139	T	A	-0.2138
140	R	A	-1.4258
141	Y	A	-1.0970
142	T	A	-1.1703
143	N	A	-1.8948
144	F	A	0.0000
145	L	A	0.0000
146	L	A	-1.7731
147	D	A	0.0000
148	T	A	-2.1931
149	K	A	-2.7077
150	G	A	-2.3367
151	R	A	-2.3552
152	L	A	-1.2014
153	Y	A	-1.3549
154	R	A	-2.2097
155	W	A	-1.7717
156	R	A	-2.4701
157	S	A	-1.2296
158	P	A	-0.6969
159	S	A	-0.1348	mutated: VS159A
160	I	A	0.0423
161	V	A	0.2698
162	E	A	-2.5590
163	K	A	-2.8041
164	G	A	-2.1959
165	G	A	-2.0215
166	K	A	-2.3389
167	V	A	0.0000
168	E	A	-2.1166
169	V	A	0.0000
170	E	A	-2.6298
171	G	A	-1.9470
172	H	A	-1.8982
173	L	A	-1.7261
174	I	A	0.0000
175	D	A	-2.0303
176	L	A	-2.0533
177	K	A	-2.7577
178	R	A	-2.2154
179	V	A	0.0000
180	V	A	0.0000
181	L	A	-1.1393
182	D	A	-1.7568
183	G	A	0.0000
184	S	A	-0.5375
185	A	A	-0.3871
186	A	A	-0.3827
187	T	A	0.0161
188	P	A	0.0900
189	L	A	0.9905
190	T	A	0.1368
191	R	A	-0.7515
192	V	A	0.7700
193	S	A	-0.0075
194	A	A	0.0398
195	E	A	-0.6571
196	L	A	1.1193
197	W	A	1.0373
198	G	A	-0.2012
199	R	A	-1.0671
200	L	A	0.6674