Project name: retro9 [mutate: HA151Y]

Status: done

submitted: 2018-11-20 20:19:05, status changed: 2018-11-20 20:25:04
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Chain sequence(s) A: MEEPQSDLSTELPLSQETFSYLGKLLPEKLVLSPSLSPAAEAVDDLLLPEDAADWLESQAGAQGISEAPTLATSWTLSSSVPSQKTYPAPIVSVWASCILGQPSLSPTRTPLNLTCCFAGWQRPVQCSCGSPQHPRPAPVFTPWPSTRRQHMMEVVKHCPHLECRCDYSDCLDPPQHLIQIT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues HA151Y
Energy difference between WT (input) and mutated protein (by FoldX) -0.301903 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
-2.9928
Maximal score value
2.1911
Average score
-0.1781
Total score value
-32.4206

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
1 M A -0.4839
2 E A -2.1023
3 E A -1.7273
4 P A -0.9169
5 Q A -0.9386
6 S A -1.0675
7 D A -1.6547
8 L A -0.6115
9 S A -0.2982
10 T A -0.4610
11 E A 0.0000
12 L A 0.4423
13 P A -0.0025
14 L A 0.3231
15 S A -0.2059
16 Q A -0.8501
17 E A 0.0000
18 T A 0.0000
19 F A 0.0000
20 S A 0.0000
21 Y A 0.0708
22 L A 1.0042
23 G A 0.0000
24 K A 0.1246
25 L A 0.0000
26 L A 0.0000
27 P A 0.0906
28 E A 0.0863
29 K A 0.1646
30 L A 0.6656
31 V A 1.3665
32 L A 1.1310
33 S A 0.3608
34 P A -0.3771
35 S A -0.8858
36 L A 0.0000
37 S A 0.0000
38 P A 0.4823
39 A A 0.0000
40 A A -1.2574
41 E A -1.7590
42 A A -0.2807
43 V A 0.8111
44 D A 0.0488
45 D A 0.0000
46 L A 0.0000
47 L A 0.0000
48 L A -0.4502
49 P A -0.8537
50 E A -2.0797
51 D A -2.2773
52 A A -1.8011
53 A A -1.3279
54 D A -1.9563
55 W A -0.7848
56 L A -0.2368
57 E A -1.6023
58 S A 0.0000
59 Q A -0.2829
60 A A -0.4476
61 G A 0.0000
62 A A 0.2666
63 Q A 0.2589
64 G A 0.0000
65 I A 0.9421
66 S A -0.4229
67 E A -1.2430
68 A A 0.0746
69 P A 0.1160
70 T A 0.7929
71 L A 0.5378
72 A A 0.0000
73 T A 0.6787
74 S A 0.2991
75 W A 1.1731
76 T A 1.1870
77 L A 1.6253
78 S A 0.7285
79 S A 0.1211
80 S A 0.4819
81 V A -0.1131
82 P A -0.4062
83 S A -1.1672
84 Q A -1.5859
85 K A -1.8893
86 T A -0.3117
87 Y A 1.1181
88 P A 1.3990
89 A A 0.9996
90 P A 0.2338
91 I A 0.7590
92 V A 2.1911
93 S A 1.8061
94 V A 2.1190
95 W A 0.9656
96 A A 0.3423
97 S A 0.4229
98 C A 1.1743
99 I A 1.7622
100 L A 0.8262
101 G A -0.3571
102 Q A -1.1961
103 P A -0.6868
104 S A 0.0223
105 L A 0.3645
106 S A 0.7276
107 P A 0.7579
108 T A 0.3181
109 R A -0.1932
110 T A 0.2120
111 P A 0.1253
112 L A 0.8683
113 N A -0.0044
114 L A 0.7054
115 T A 0.3991
116 C A 0.7892
117 C A 1.2549
118 F A 2.0631
119 A A 0.8465
120 G A 0.0610
121 W A 0.0535
122 Q A -0.9296
123 R A -0.3770
124 P A -0.3514
125 V A 0.2084
126 Q A -0.1913
127 C A 0.8112
128 S A 0.8624
129 C A 0.9382
130 G A 0.4865
131 S A -0.3678
132 P A -0.9920
133 Q A -1.9211
134 H A -1.7329
135 P A -1.7206
136 R A -2.3967
137 P A -1.1093
138 A A -0.8836
139 P A 0.0211
140 V A 0.7539
141 F A 1.2388
142 T A 0.0000
143 P A 0.2453
144 W A 0.1699
145 P A -0.4540
146 S A -0.9156
147 T A -1.2350
148 R A -2.8332
149 R A -2.9928
150 Q A -2.2381
151 Y A -0.9998 mutated: HA151Y
152 M A -1.0016
153 M A -0.8127
154 E A -1.6309
155 V A -0.1770
156 V A -0.3535
157 K A -1.9629
158 H A -1.4817
159 C A -0.4402
160 P A -0.9726
161 H A -1.1393
162 L A -1.3372
163 E A -2.0872
164 C A -0.3679
165 R A -0.2640
166 C A 0.4599
167 D A -0.3189
168 Y A 0.7574
169 S A -0.0475
170 D A -1.0594
171 C A 0.6551
172 L A 1.3343
173 D A 0.3879
174 P A -0.3145
175 P A -0.5835
176 Q A -1.4963
177 H A -0.9361
178 L A -0.4079
179 I A -0.1108
180 Q A -0.1980
181 I A 0.1317
182 T A -0.3254

 

Laboratory of Theory of Biopolymers 2015