Project name: My project [mutate: VT51A, FY52A]

Chain sequence(s)	A: MDPGLQQALNGMAPPGDTAMHVPAGSVASHLGTTSRSYFYLTTATLALCLVFTVATIMVLVVQRTDSIPNSPDNVPLKGGNCSEDLLCILKRAPFKKSWAYLQVAKHLNKTKLSWNKDGILHGVRYQDGNLVIQFPGLYFIICQLQFLVQCPNNSVDLKLELLINKHIKKQALVTVCESGMQTKHVYQNLSQFLLDYLQVNTTISVNVDTFQYIDTSTFPLENVLSIFLYSNSD
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VT51A,FY52A
Energy difference between WT (input) and mutated protein (by FoldX)	-0.161676 kcal/mol

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                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:00:54)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:56)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:31)

• Minimal score value: -3.0637
• Maximal score value: 3.7012
• Average score: -0.3043
• Total score value: -71.2081

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	0.1397
2	D	A	-1.5045
3	P	A	-0.7619
4	G	A	-0.4774
5	L	A	0.4091
6	Q	A	-1.1860
7	Q	A	-1.1287
8	A	A	-0.3019
9	L	A	0.7317
10	N	A	-0.4723
11	G	A	-0.2522
12	M	A	0.7071
13	A	A	0.0340
14	P	A	-0.5688
15	P	A	-1.0389
16	G	A	-1.5418
17	D	A	-2.1357
18	T	A	-0.8983
19	A	A	-0.1874
20	M	A	0.9386
21	H	A	0.3439
22	V	A	1.3437
23	P	A	0.3645
24	A	A	0.2153
25	G	A	0.0823
26	S	A	0.3637
27	V	A	1.5555
28	A	A	0.7096
29	S	A	0.0482
30	H	A	-0.2215
31	L	A	0.6983
32	G	A	-0.6342
33	T	A	-0.6521
34	T	A	-0.0424
35	S	A	0.1948
36	R	A	-0.3964
37	S	A	0.8449
38	Y	A	2.3597
39	F	A	2.7407
40	Y	A	2.6397
41	L	A	2.9472
42	T	A	2.2818
43	T	A	2.1876
44	A	A	2.1658
45	T	A	2.0992
46	L	A	2.8419
47	A	A	2.2286
48	L	A	2.6730
49	C	A	2.8760
50	L	A	3.3331
51	T	A	2.7303	mutated: VT51A
52	Y	A	3.1466	mutated: FY52A
53	T	A	2.8338
54	V	A	3.6740
55	A	A	2.9006
56	T	A	2.9739
57	I	A	3.7012
58	M	A	3.5419
59	V	A	3.1992
60	L	A	2.3007
61	V	A	2.2769
62	V	A	1.8111
63	Q	A	-0.5373
64	R	A	-1.4213
65	T	A	-0.9128
66	D	A	-2.2128
67	S	A	-1.6484
68	I	A	-1.3665
69	P	A	-1.2669
70	N	A	-1.9930
71	S	A	-1.8483
72	P	A	-1.8626
73	D	A	-2.3522
74	N	A	-1.4503
75	V	A	0.2753
76	P	A	-0.4105
77	L	A	-0.5276
78	K	A	-1.8129
79	G	A	-1.6479
80	G	A	-2.0026
81	N	A	-2.1940
82	C	A	-1.7850
83	S	A	-1.5840
84	E	A	-2.5097
85	D	A	-1.8934
86	L	A	-0.8371
87	L	A	0.0173
88	C	A	0.0000
89	I	A	-0.5589
90	L	A	0.0000
91	K	A	-1.1873
92	R	A	-1.7943
93	A	A	-0.7707
94	P	A	-0.6520
95	F	A	-0.2919
96	K	A	-1.9445
97	K	A	-1.4512
98	S	A	0.0000
99	W	A	0.0000
100	A	A	0.0000
101	Y	A	0.0000
102	L	A	0.0000
103	Q	A	-1.0212
104	V	A	0.0000
105	A	A	-1.4836
106	K	A	-1.6913
107	H	A	-1.3495
108	L	A	-0.0333
109	N	A	-1.6330
110	K	A	-2.4276
111	T	A	-1.7932
112	K	A	-2.3254
113	L	A	0.0000
114	S	A	-1.5731
115	W	A	0.0000
116	N	A	-2.4394
117	K	A	-3.0637
118	D	A	-2.8943
119	G	A	-1.6540
120	I	A	-1.2465
121	L	A	0.0000
122	H	A	-1.3075
123	G	A	0.0000
124	V	A	0.0000
125	R	A	-1.2268
126	Y	A	-1.5683
127	Q	A	-2.5045
128	D	A	-2.5453
129	G	A	-1.9060
130	N	A	-1.7648
131	L	A	0.0000
132	V	A	0.0000
133	I	A	0.0000
134	Q	A	-0.2289
135	F	A	0.0766
136	P	A	-0.1723
137	G	A	0.0000
138	L	A	1.0448
139	Y	A	0.0000
140	F	A	1.5517
141	I	A	0.0000
142	I	A	0.0000
143	C	A	0.0000
144	Q	A	-0.6844
145	L	A	0.0000
146	Q	A	-0.2349
147	F	A	0.0000
148	L	A	0.2984
149	V	A	0.0000
150	Q	A	-1.9263
151	C	A	0.0000
152	P	A	-2.3066
153	N	A	-2.7968
154	N	A	-2.6091
155	S	A	-2.0769
156	V	A	0.0000
157	D	A	-1.6298
158	L	A	0.0000
159	K	A	-0.9624
160	L	A	0.0000
161	E	A	-0.9099
162	L	A	0.0000
163	L	A	0.0000
164	I	A	0.0000
165	N	A	-2.3668
166	K	A	-2.4983
167	H	A	-1.7045
168	I	A	-0.2125
169	K	A	-1.6384
170	K	A	-1.3017
171	Q	A	-0.9044
172	A	A	-0.1223
173	L	A	0.6186
174	V	A	0.3942
175	T	A	-0.5664
176	V	A	-0.3219
177	C	A	0.0000
178	E	A	-2.8124
179	S	A	-2.3335
180	G	A	-1.9071
181	M	A	-2.0115
182	Q	A	-2.4394
183	T	A	-2.2096
184	K	A	-2.5620
185	H	A	-1.9011
186	V	A	-0.2367
187	Y	A	0.7109
188	Q	A	0.1167
189	N	A	-0.7822
190	L	A	0.0000
191	S	A	-0.2987
192	Q	A	0.0323
193	F	A	1.2172
194	L	A	1.0318
195	L	A	1.9583
196	D	A	0.8827
197	Y	A	0.9769
198	L	A	0.0000
199	Q	A	-0.4002
200	V	A	0.6426
201	N	A	-0.9631
202	T	A	0.0000
203	T	A	-1.4788
204	I	A	0.0000
205	S	A	-0.8894
206	V	A	0.0000
207	N	A	-0.9995
208	V	A	0.0000
209	D	A	-2.4590
210	T	A	-1.5779
211	F	A	-1.3804
212	Q	A	-1.6804
213	Y	A	-0.3346
214	I	A	0.0000
215	D	A	0.0000
216	T	A	-0.4580
217	S	A	-0.1658
218	T	A	0.0480
219	F	A	0.2863
220	P	A	0.0544
221	L	A	0.7685
222	E	A	-0.7351
223	N	A	0.0000
224	V	A	0.0000
225	L	A	0.0000
226	S	A	0.0000
227	I	A	0.0000
228	F	A	0.4530
229	L	A	0.0000
230	Y	A	1.0403
231	S	A	0.0893
232	N	A	-0.8872
233	S	A	-1.2811
234	D	A	-2.0408