Project name: 1408d88f3af2cef [mutate: EA5R, DA190L, FA114L]

Status: done

submitted: 2019-01-11 13:03:41, status changed: 2019-01-11 13:24:03
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Chain sequence(s) A: SKGEELFTGKVPILVELDGDVNGHKFSVSGEGEGDATKGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYITADKQKNGIKANFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLKEFVTAAGIT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA5R, DA190L, FA114L
Energy difference between WT (input) and mutated protein (by FoldX) 0.792311 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
-4.1946
Maximal score value
1.267
Average score
-1.0309
Total score value
-232.9794

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 S A -2.1626
3 K A -2.6336
4 G A 0.0000
5 R A -2.6175 mutated: EA5R
6 E A -2.7053
7 L A -1.4178
8 F A 0.0000
9 T A -1.2845
10 G A -1.5042
11 K A -2.2780
12 V A 0.0000
13 P A -1.4529
14 I A 0.0000
15 L A -1.0302
16 V A 0.0000
17 E A -2.0034
18 L A 0.0000
19 D A -3.4647
20 G A 0.0000
21 D A -3.0121
22 V A 0.0000
23 N A -2.1085
24 G A -1.7499
25 H A -2.2524
26 K A -3.0480
27 F A 0.0000
28 S A -1.7870
29 V A 0.0000
30 S A -1.0429
31 G A 0.0000
32 E A -2.1713
33 G A -1.7864
34 E A -1.8550
35 G A 0.0000
36 D A 0.0000
37 A A 0.0000
38 T A -1.6330
39 K A -2.2078
40 G A 0.0000
41 K A -1.6493
42 L A 0.0000
43 T A -1.1491
44 L A 0.0000
45 K A -1.3855
46 F A 0.0000
47 I A -1.0997
48 C A 0.0000
49 T A -0.7668
50 T A -1.1756
51 G A -1.6880
52 K A -2.2878
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 -0.0798
69 Q A -0.1924
70 C A 0.0000
71 F A 0.0000
72 S A 0.0000
73 R A -1.8082
74 Y A 0.0000
75 P A -1.8658
76 D A -2.9291
77 H A -2.3950
78 M A 0.0000
79 K A -2.9366
80 R A -2.7814
81 H A -1.7229
82 D A 0.0000
83 F A 0.0000
84 F A 0.0000
85 K A 0.0000
86 S A -1.3114
87 A A 0.0000
88 M A 0.0000
89 P A -1.5885
90 E A -1.5039
91 G A 0.0000
92 Y A 0.0000
93 V A -0.8483
94 Q A 0.0000
95 E A -1.8867
96 R A 0.0000
97 T A -0.9549
98 I A 0.0000
99 S A -1.0394
100 F A 0.0000
101 K A -2.1380
102 D A -2.8053
103 D A -2.6134
104 G A 0.0000
105 N A -1.4773
106 Y A 0.0000
107 K A -2.3923
108 T A 0.0000
109 R A -3.4877
110 A A 0.0000
111 E A -2.1496
112 V A 0.0000
113 K A -1.3369
114 L A -1.4011 mutated: FA114L
115 E A -1.6199
116 G A -1.6979
117 D A -2.1147
118 T A -1.5181
119 L A 0.0000
120 V A 0.0000
121 N A 0.0000
122 R A -2.4130
123 I A 0.0000
124 E A -4.1946
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 -2.0000
141 L A -1.5107
142 E A -1.8260
143 Y A -0.5042
144 N A -0.5581
145 Y A -0.8439
146 N A -1.2582
147 S A -1.2682
148 H A -1.4415
149 N A -1.2064
150 V A 0.0000
151 Y A 0.3551
152 I A 0.0000
153 T A -1.2435
154 A A -1.8528
155 D A -2.4657
156 K A -3.1306
157 Q A -3.1895
158 K A -3.3978
159 N A -2.4720
160 G A 0.0000
161 I A 0.0000
162 K A -1.2385
163 A A 0.0000
164 N A -1.0793
165 F A 0.0000
166 K A -1.9986
167 I A 0.0000
168 R A -1.8650
169 H A 0.0000
170 N A -1.4922
171 I A 0.0000
172 E A -3.2200
173 D A -3.0103
174 G A -1.9191
175 S A -1.0424
176 V A -0.4492
177 Q A 0.0000
178 L A -1.2129
179 A A 0.0000
180 D A -1.1781
181 H A 0.0000
182 Y A 0.0351
183 Q A 0.0000
184 Q A -1.4290
185 N A 0.0000
186 T A -0.8663
187 P A -0.2075
188 I A 0.5049
189 G A 0.4422
190 L A 1.2670 mutated: DA190L
191 G A 0.1743
192 P A -0.2068
193 V A -0.0805
194 L A -0.2298
195 L A -0.1045
196 P A 0.0000
197 D A -2.4339
198 N A -1.7807
199 H A 0.0000
200 Y A -0.0557
201 L A 0.0000
202 S A -0.5828
203 T A -0.7536
204 Q A -1.4159
205 S A -0.9360
206 A A -0.5355
207 L A -0.4490
208 S A -0.9675
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 -0.9343
220 L A 0.0000
221 K A -1.3488
222 E A -0.7116
223 F A -0.1379
224 V A 0.0000
225 T A -0.7677
226 A A 0.0000
227 A A -0.3261
228 G A -0.4935
229 I A -0.4930
230 T A -0.1843

 

Laboratory of Theory of Biopolymers 2015