Project name: ef657fb3437b0e2 [mutate: VA41A, FA214A, FA217A]

Chain sequence(s)	A: YPQSIDWRAKGAVTPVKNQGACGSCWAFSTIATVEGINKIVTGNLLELSEQELVDCDKHSYGCKGGYQTTSLQYVANNGVHTSKVYPYQAKQYKCRATDKPGPKVKITGYKRVPSNCETSFLGALANQPLSVLVEAGGKPFQLYKSGVFDGPCGTKLDHAVTAVGYGTSDGKNYIIIKNSWGPNWGEKGYMRLKRQSGNSQGTCGVYKSSYYPFKGFA
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	FA217A,FA214A,VA41A
Energy difference between WT (input) and mutated protein (by FoldX)	3.86702 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                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:00:57)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:14)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:06)

• Minimal score value: -2.5785
• Maximal score value: 0.7162
• Average score: -0.6859
• Total score value: -149.5204

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	Y	A	0.7162
2	P	A	-0.1688
3	Q	A	-1.1043
4	S	A	-0.6831
5	I	A	0.0000
6	D	A	-1.0076
7	W	A	-1.1608
8	R	A	-1.4618
9	A	A	-1.2966
10	K	A	-1.9720
11	G	A	-1.3051
12	A	A	0.0000
13	V	A	-0.5436
14	T	A	0.0000
15	P	A	-0.6645
16	V	A	-0.7926
17	K	A	-0.9324
18	N	A	-1.5504
19	Q	A	0.0000
20	G	A	-1.0901
21	A	A	-0.5661
22	C	A	0.0000
23	G	A	-0.8467
24	S	A	0.0000
25	C	A	-0.4301
26	W	A	0.0000
27	A	A	0.0000
28	F	A	0.0000
29	S	A	0.0000
30	T	A	0.0000
31	I	A	0.0000
32	A	A	-0.1617
33	T	A	0.0000
34	V	A	0.0000
35	E	A	0.0000
36	G	A	0.0000
37	I	A	0.0000
38	N	A	0.0000
39	K	A	-0.5471
40	I	A	0.0271
41	A	A	-0.0329	mutated: VA41A
42	T	A	-0.4808
43	G	A	-0.8361
44	N	A	-1.3045
45	L	A	-0.3436
46	L	A	-0.6617
47	E	A	-1.3585
48	L	A	0.0000
49	S	A	0.0000
50	E	A	0.0000
51	Q	A	0.0000
52	E	A	0.0000
53	L	A	0.0000
54	V	A	0.0000
55	D	A	0.0000
56	C	A	0.0000
57	D	A	0.0000
58	K	A	-1.9602
59	H	A	-1.4976
60	S	A	0.0000
61	Y	A	-0.2352
62	G	A	0.0000
63	C	A	-1.1416
64	K	A	-1.6511
65	G	A	-0.7417
66	G	A	-0.2665
67	Y	A	0.5220
68	Q	A	0.0000
69	T	A	-0.3721
70	T	A	-0.4940
71	S	A	0.0000
72	L	A	0.0000
73	Q	A	-0.8857
74	Y	A	-1.3006
75	V	A	0.0000
76	A	A	0.0000
77	N	A	-2.0047
78	N	A	-1.9631
79	G	A	0.0000
80	V	A	0.0000
81	H	A	0.0000
82	T	A	0.0000
83	S	A	-1.0786
84	K	A	-1.8385
85	V	A	-0.8765
86	Y	A	0.0000
87	P	A	-0.6822
88	Y	A	-0.8601
89	Q	A	-1.2011
90	A	A	-1.3942
91	K	A	-2.2172
92	Q	A	-1.6083
93	Y	A	-1.0928
94	K	A	-1.5687
95	C	A	-1.1898
96	R	A	-1.3491
97	A	A	-1.3385
98	T	A	-1.2315
99	D	A	-2.2084
100	K	A	-1.8565
101	P	A	-1.3754
102	G	A	-1.3615
103	P	A	-1.5622
104	K	A	-2.5015
105	V	A	0.0000
106	K	A	-2.3093
107	I	A	0.0000
108	T	A	-0.8246
109	G	A	-0.9098
110	Y	A	-0.9343
111	K	A	-2.1683
112	R	A	-2.0952
113	V	A	0.0000
114	P	A	-0.9796
115	S	A	-1.0900
116	N	A	-1.4964
117	C	A	-1.1531
118	E	A	-0.9772
119	T	A	-0.3535
120	S	A	-0.4331
121	F	A	0.0000
122	L	A	0.0000
123	G	A	-0.1241
124	A	A	-0.4595
125	L	A	0.0000
126	A	A	-0.5053
127	N	A	-0.9683
128	Q	A	0.0000
129	P	A	0.0000
130	L	A	0.0000
131	S	A	0.0000
132	V	A	0.0000
133	L	A	-0.2365
134	V	A	0.0000
135	E	A	0.0000
136	A	A	0.0000
137	G	A	-1.6510
138	G	A	-1.3887
139	K	A	-1.7566
140	P	A	-1.1702
141	F	A	0.0000
142	Q	A	-0.8707
143	L	A	0.1256
144	Y	A	0.0000
145	K	A	-2.0546
146	S	A	-1.3180
147	G	A	-1.0394
148	V	A	-1.1473
149	F	A	0.0000
150	D	A	-2.0269
151	G	A	-1.3470
152	P	A	-1.0061
153	C	A	-1.0254
154	G	A	-0.8502
155	T	A	-1.2492
156	K	A	-2.0534
157	L	A	-1.3633
158	D	A	-2.0613
159	H	A	0.0000
160	A	A	0.0000
161	V	A	0.0000
162	T	A	0.0000
163	A	A	0.0000
164	V	A	0.0000
165	G	A	0.0000
166	Y	A	0.0000
167	G	A	0.0000
168	T	A	-1.3097
169	S	A	-1.5011
170	D	A	-2.3723
171	G	A	-1.8686
172	K	A	-1.9419
173	N	A	-1.6270
174	Y	A	-0.9046
175	I	A	0.0000
176	I	A	0.0000
177	I	A	0.0000
178	K	A	0.0000
179	N	A	0.0000
180	S	A	0.0000
181	W	A	-0.9292
182	G	A	0.0000
183	P	A	-1.7563
184	N	A	-2.2444
185	W	A	0.0000
186	G	A	-1.8071
187	E	A	-2.1028
188	K	A	-2.5785
189	G	A	0.0000
190	Y	A	0.0000
191	M	A	0.0000
192	R	A	-0.7457
193	L	A	0.0000
194	K	A	-1.3830
195	R	A	0.0000
196	Q	A	-1.5368
197	S	A	-1.1432
198	G	A	-1.2315
199	N	A	-1.8278
200	S	A	-1.5428
201	Q	A	-1.6889
202	G	A	0.0000
203	T	A	0.0000
204	C	A	0.0000
205	G	A	0.0000
206	V	A	0.0000
207	Y	A	0.0000
208	K	A	-0.7664
209	S	A	-0.5246
210	S	A	0.0000
211	Y	A	-0.8330
212	Y	A	-0.6797
213	P	A	0.0000
214	A	A	-0.5480	mutated: FA214A
215	K	A	-0.5583
216	G	A	-0.7053
217	A	A	-0.4009	mutated: FA217A
218	A	A	-0.2443