Project name: 1408d88f3af2cef [mutate: SA2G]

Status: done

submitted: 2019-01-11 13:03:14, status changed: 2019-01-11 13:22:34
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Chain sequence(s) A: SKGEELFTGKVPILVELDGDVNGHKFSVSGEGEGDATKGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLKEFVTAAGIT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues SA2G
Energy difference between WT (input) and mutated protein (by FoldX) -0.0653093 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-4.1986
Maximal score value
0.352
Average score
-1.0751
Total score value
-242.9759

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
residue index residue name chain Aggrescan3D score
mutation
2 G A -2.3315 mutated: SA2G
3 K A -2.6308
4 G A 0.0000
5 E A -2.3186
6 E A -2.5520
7 L A -1.2672
8 F A 0.0000
9 T A -1.2036
10 G A -1.5006
11 K A -2.2667
12 V A 0.0000
13 P A -1.4478
14 I A 0.0000
15 L A -1.0206
16 V A 0.0000
17 E A -2.0040
18 L A 0.0000
19 D A -3.4656
20 G A 0.0000
21 D A -3.0120
22 V A 0.0000
23 N A -2.1085
24 G A -1.7499
25 H A -2.2524
26 K A -3.0478
27 F A 0.0000
28 S A -1.7883
29 V A 0.0000
30 S A -1.0499
31 G A 0.0000
32 E A -2.1666
33 G A -1.7563
34 E A -1.8363
35 G A 0.0000
36 D A 0.0000
37 A A 0.0000
38 T A -1.6229
39 K A -2.2356
40 G A 0.0000
41 K A -1.6433
42 L A 0.0000
43 T A -1.0763
44 L A 0.0000
45 K A -1.3549
46 F A 0.0000
47 I A -1.1026
48 C A 0.0000
49 T A -0.7686
50 T A -1.1754
51 G A -1.6879
52 K A -2.2877
53 L A 0.0000
54 P A -1.2003
55 V A 0.0000
56 P A 0.0000
57 W A 0.0000
58 P A 0.0000
59 T A 0.0000
60 L A 0.0000
61 V A 0.0000
62 T A -0.0039
63 T A 0.0000
64 L A 0.0000
68 V A -0.0846
69 Q A -0.1926
70 C A 0.0000
71 F A 0.0000
72 S A 0.0000
73 R A -1.8573
74 Y A 0.0000
75 P A -1.9057
76 D A -2.9774
77 H A -2.4414
78 M A 0.0000
79 K A -3.0800
80 R A -2.9262
81 H A -1.8382
82 D A 0.0000
83 F A 0.0000
84 F A 0.0000
85 K A 0.0000
86 S A -1.3231
87 A A 0.0000
88 M A 0.0000
89 P A -1.5330
90 E A -1.9476
91 G A 0.0000
92 Y A 0.0000
93 V A -0.8641
94 Q A 0.0000
95 E A -1.8936
96 R A 0.0000
97 T A -0.9553
98 I A 0.0000
99 S A -1.0373
100 F A 0.0000
101 K A -2.1480
102 D A -2.8037
103 D A -2.6134
104 G A 0.0000
105 N A -1.4773
106 Y A 0.0000
107 K A -2.3927
108 T A 0.0000
109 R A -3.4957
110 A A 0.0000
111 E A -2.1818
112 V A 0.0000
113 K A -1.3519
114 F A -1.4104
115 E A -1.6367
116 G A -1.7093
117 D A -2.1180
118 T A -1.5225
119 L A 0.0000
120 V A 0.0000
121 N A 0.0000
122 R A -2.4242
123 I A 0.0000
124 E A -4.1986
125 L A 0.0000
126 K A -3.3099
127 G A 0.0000
128 I A -1.2158
129 D A -2.2334
130 F A 0.0000
131 K A -3.7754
132 E A -3.8000
133 D A -3.3488
134 G A -2.6361
135 N A -2.0776
136 I A 0.0000
137 L A -1.6724
138 G A -1.8548
139 H A -1.4117
140 K A -1.9995
141 L A -1.5274
142 E A -1.8385
143 Y A -0.5049
144 N A -0.5559
145 Y A -0.8062
146 N A -1.2010
147 S A -1.2666
148 H A -1.4145
149 N A -1.2161
150 V A 0.0000
151 Y A 0.3520
152 I A 0.0000
153 T A -1.2553
154 A A -1.8795
155 D A -2.4871
156 K A -3.1376
157 Q A -3.1940
158 K A -3.4019
159 N A -2.4924
160 G A 0.0000
161 I A 0.0000
162 K A -1.2428
163 A A 0.0000
164 N A -1.0793
165 F A 0.0000
166 K A -1.9461
167 I A 0.0000
168 R A -1.6979
169 H A 0.0000
170 N A -1.4898
171 I A 0.0000
172 E A -3.2372
173 D A -3.0282
174 G A -1.9497
175 S A -1.0847
176 V A -0.5251
177 Q A 0.0000
178 L A -1.1591
179 A A 0.0000
180 D A -1.1492
181 H A 0.0000
182 Y A 0.0348
183 Q A 0.0000
184 Q A -1.4324
185 N A 0.0000
186 T A -0.8733
187 P A -0.8571
188 I A -0.2440
189 G A -1.2021
190 D A -2.0682
191 G A -1.4543
192 P A -1.0077
193 V A -0.6229
194 L A -0.3673
195 L A -0.1787
196 P A 0.0000
197 D A -2.4517
198 N A -1.7878
199 H A 0.0000
200 Y A -0.0618
201 L A 0.0000
202 S A -0.6475
203 T A -0.8300
204 Q A -1.4582
205 S A -0.9140
206 A A -0.4932
207 L A -0.3978
208 S A -0.9357
209 K A -1.8786
210 D A -2.1504
211 P A -1.8083
212 N A -2.4529
213 E A -2.6085
214 K A -3.0467
215 R A -3.1659
216 D A -2.1848
217 H A 0.0000
218 M A 0.0000
219 V A -0.8865
220 L A 0.0000
221 K A -1.1645
222 E A -0.6995
223 F A -0.3168
224 V A 0.0000
225 T A -0.8255
226 A A 0.0000
227 A A -0.3315
228 G A -0.4962
229 I A -0.4947
230 T A -0.1843

 

Laboratory of Theory of Biopolymers 2015