Project name: gene2 [mutate: AT80A, GR58A]

Chain sequence(s)	A: MRNSQERNNRLENLCWRIWNVARRKKQKIERMLTIEHTKFPTAKEFLEYATQFAPPSGFTIQFVTLMSPNTRIVLFSATASLRSYAPSLVRIASSVVSSCRRALGRKSSPFQCGEEELTSVRRRSRRCWGGRAHMRRSSTGAGSKSSPACAGRLASVGRKKSSPGVGRKKLADIGEEDPLARGERRTHRRRGGARRWCPDDSDGHRATGGQRRSASEGWSGTE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	GR58A,AT80A
Energy difference between WT (input) and mutated protein (by FoldX)	3.10845 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                                                       (00:02:19)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:02:29)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:11)

• Minimal score value: -4.9971
• Maximal score value: 2.7984
• Average score: -1.1447
• Total score value: -255.2759

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	-0.1181
2	R	A	-2.2478
3	N	A	-2.9841
4	S	A	-2.8243
5	Q	A	-3.6748
6	E	A	-4.0741
7	R	A	-4.3188
8	N	A	-3.7823
9	N	A	-3.5458
10	R	A	-3.4793
11	L	A	-1.8664
12	E	A	-1.6414
13	N	A	-0.7969
14	L	A	0.3498
15	C	A	0.9751
16	W	A	1.3742
17	R	A	0.0568
18	I	A	1.8036
19	W	A	1.1379
20	N	A	-0.6544
21	V	A	-0.0312
22	A	A	-1.5122
23	R	A	-3.7256
24	R	A	-4.3989
25	K	A	-4.6362
26	K	A	-4.9971
27	Q	A	-4.8384
28	K	A	-4.5935
29	I	A	-2.6055
30	E	A	-2.7203
31	R	A	-2.7092
32	M	A	-0.8327
33	L	A	-0.1107
34	T	A	-0.2957
35	I	A	0.7131
36	E	A	-1.4325
37	H	A	-1.5059
38	T	A	-1.3812
39	K	A	-1.9192
40	F	A	-0.5574
41	P	A	-0.8113
42	T	A	-0.7579
43	A	A	-0.7649
44	K	A	-2.0794
45	E	A	-1.8162
46	F	A	-0.7231
47	L	A	-0.5912
48	E	A	-1.9188
49	Y	A	-0.3554
50	A	A	0.0796
51	T	A	-0.2865
52	Q	A	-0.4638
53	F	A	1.2618
54	A	A	0.6554
55	P	A	0.1936
56	P	A	-0.3438
57	S	A	-0.9100
58	R	A	-1.5201	mutated: GR58A
59	F	A	0.3834
60	T	A	0.2943
61	I	A	0.8284
62	Q	A	0.2880
63	F	A	1.8072
64	V	A	2.7984
65	T	A	2.3563
66	L	A	2.7435
67	M	A	1.6424
68	S	A	0.2089
69	P	A	-0.7216
70	N	A	-1.5437
71	T	A	-0.9910
72	R	A	-1.2246
73	I	A	0.9126
74	V	A	1.9755
75	L	A	2.4539
76	F	A	2.2627
77	S	A	1.2661
78	A	A	0.7574
79	T	A	0.4123
80	T	A	0.0020	mutated: AT80A
81	S	A	-0.2240
82	L	A	0.1144
83	R	A	-1.4918
84	S	A	-0.5949
85	Y	A	1.0411
86	A	A	0.4398
87	P	A	0.2117
88	S	A	0.4423
89	L	A	1.4429
90	V	A	1.2190
91	R	A	-0.0214
92	I	A	2.1675
93	A	A	1.7344
94	S	A	1.0498
95	S	A	1.2316
96	V	A	2.0188
97	V	A	1.4088
98	S	A	0.0871
99	S	A	-0.1439
100	C	A	0.0722
101	R	A	-1.8876
102	R	A	-2.3496
103	A	A	-1.1529
104	L	A	-0.5976
105	G	A	-2.2966
106	R	A	-3.1242
107	K	A	-2.5864
108	S	A	-1.2719
109	S	A	-0.8026
110	P	A	0.1466
111	F	A	1.2899
112	Q	A	-0.3247
113	C	A	-0.2874
114	G	A	-1.8386
115	E	A	-3.1699
116	E	A	-3.4061
117	E	A	-2.7663
118	L	A	-1.1811
119	T	A	-1.8989
120	S	A	-1.6812
121	V	A	-0.5899
122	R	A	-2.9386
123	R	A	-3.6047
124	R	A	-3.6383
125	S	A	-2.8367
126	R	A	-3.6239
127	R	A	-3.2245
128	C	A	-0.6192
129	W	A	0.1448
130	G	A	-0.8624
131	G	A	-1.2817
132	R	A	-2.1490
133	A	A	-1.4028
134	H	A	-1.6512
135	M	A	-0.9629
136	R	A	-2.5510
137	R	A	-2.7878
138	S	A	-1.5347
139	S	A	-1.1682
140	T	A	-0.6339
141	G	A	-0.6266
142	A	A	-0.4519
143	G	A	-1.0233
144	S	A	-1.2804
145	K	A	-2.0658
146	S	A	-1.4136
147	S	A	-0.7980
148	P	A	-0.2048
149	A	A	0.3033
150	C	A	0.6335
151	A	A	-0.2397
152	G	A	-0.8500
153	R	A	-1.3023
154	L	A	0.5552
155	A	A	0.7053
156	S	A	0.9155
157	V	A	1.0100
158	G	A	-0.7471
159	R	A	-2.8996
160	K	A	-3.5694
161	K	A	-3.1027
162	S	A	-1.6580
163	S	A	-0.7373
164	P	A	-0.3416
165	G	A	0.0484
166	V	A	0.6923
167	G	A	-1.2373
168	R	A	-2.7851
169	K	A	-2.9748
170	K	A	-2.4304
171	L	A	-0.0220
172	A	A	-0.2917
173	D	A	-0.9255
174	I	A	0.6976
175	G	A	-1.2554
176	E	A	-3.1219
177	E	A	-3.5675
178	D	A	-2.8142
179	P	A	-1.1988
180	L	A	0.3639
181	A	A	-0.3574
182	R	A	-2.3624
183	G	A	-2.8273
184	E	A	-3.8924
185	R	A	-4.0427
186	R	A	-3.8627
187	T	A	-2.9458
188	H	A	-3.3557
189	R	A	-4.0056
190	R	A	-4.0829
191	R	A	-3.6826
192	G	A	-2.4998
193	G	A	-2.0833
194	A	A	-1.7550
195	R	A	-2.5158
196	R	A	-2.0151
197	W	A	-0.0253
198	C	A	-0.0519
199	P	A	-0.9303
200	D	A	-2.6925
201	D	A	-3.1566
202	S	A	-2.6473
203	D	A	-3.1277
204	G	A	-2.5138
205	H	A	-2.5352
206	R	A	-2.6239
207	A	A	-1.2312
208	T	A	-0.8760
209	G	A	-1.0082
210	G	A	-1.9511
211	Q	A	-2.8599
212	R	A	-3.5868
213	R	A	-3.2654
214	S	A	-1.5894
215	A	A	-0.9258
216	S	A	-1.3727
217	E	A	-1.9145
218	G	A	-1.0384
219	W	A	0.3509
220	S	A	0.0853
221	G	A	-0.7467
222	T	A	-1.2479
223	E	A	-1.9561