Project name: o156 [mutate: GA40K, VA224K]

Status: done

submitted: 2018-01-12 16:16:57, status changed: 2018-01-12 16:34:58
Settings
Chain sequence(s) A: KGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQSALSKDPNEKRDHMVLLEFVTAAGIT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA40K, VA224K
Energy difference between WT (input) and mutated protein (by FoldX) 6.65403 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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
-3.9447
Maximal score value
1.3202
Average score
-0.9503
Total score value
-213.8253

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
3 K A -2.6640
4 G A 0.0000
5 E A -3.1121
6 E A -2.9169
7 L A -1.2566
8 F A 0.0000
9 T A -0.4702
10 G A 0.4759
11 V A 1.3202
12 V A 0.0000
13 P A -0.8680
14 I A 0.0000
15 L A -1.0458
16 V A 0.0000
17 E A -2.0457
18 L A 0.0000
19 D A -3.4683
20 G A 0.0000
21 D A -2.8931
22 V A 0.0000
23 N A -2.1966
24 G A -1.7698
25 H A -2.1531
26 K A -3.0060
27 F A 0.0000
28 S A -1.8172
29 V A 0.0000
30 S A -1.0389
31 G A 0.0000
32 E A -2.0936
33 G A -1.4119
34 E A -1.3975
35 G A 0.0000
36 D A 0.0513
37 A A 0.0000
38 T A 0.2379
39 Y A 0.7904
40 K A -0.4121 mutated: GA40K
41 K A -0.5161
42 L A 0.0000
43 T A -0.6096
44 L A 0.0000
45 K A -0.9165
46 F A 0.0000
47 I A -1.0952
48 C A 0.0000
49 T A -0.9711
50 T A -1.3455
51 G A -1.6857
52 K A -2.2865
53 L A 0.0000
54 P A -1.2256
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 -0.0117
63 T A 0.0000
64 L A 0.0000
68 V A 0.0000
69 Q A 0.0000
70 C A 0.0000
71 F A 0.0000
72 S A 0.0000
73 R A -1.0990
74 Y A -1.4349
75 P A -1.8864
76 D A -2.9946
77 H A -2.4340
78 M A 0.0000
79 K A -3.1754
80 Q A -2.4022
81 H A -1.5879
82 D A 0.0000
83 F A 0.0000
84 F A 0.0000
85 K A 0.0000
86 S A -1.3862
87 A A 0.0000
88 M A 0.0000
89 P A -1.7753
90 E A -2.3522
91 G A 0.0000
92 Y A 0.0000
93 V A 0.0000
94 Q A 0.0000
95 E A -1.8322
96 R A 0.0000
97 T A -0.3190
98 I A 0.0000
99 F A 0.3169
100 F A 0.0000
101 K A -1.7917
102 D A -2.8406
103 D A -2.4411
104 G A 0.0000
105 N A -0.7892
106 Y A 0.0000
107 K A -1.7995
108 T A 0.0000
109 R A -2.8298
110 A A 0.0000
111 E A -2.1476
112 V A 0.0000
113 K A -1.6715
114 F A -1.8104
115 E A -2.5896
116 G A -2.1723
117 D A -2.3731
118 T A -1.6648
119 L A 0.0000
120 V A 0.0000
121 N A 0.0000
122 R A -2.9853
123 I A 0.0000
124 E A -3.9447
125 L A 0.0000
126 K A -2.8545
127 G A 0.0000
128 I A -1.2594
129 D A -2.5194
130 F A 0.0000
131 K A -3.9338
132 E A -3.9318
133 D A -3.4791
134 G A -2.7284
135 N A -2.0653
136 I A 0.0000
137 L A -1.8587
138 G A -2.0814
139 H A -1.7625
140 K A -2.1573
141 L A -1.4689
142 E A -1.5412
143 Y A -0.4851
144 N A -0.5343
145 Y A -0.8393
146 N A -1.2847
147 S A -1.2871
148 H A 0.0000
149 N A -1.1840
150 V A 0.0000
151 Y A 0.5119
152 I A 0.0000
153 M A -0.7833
154 A A -1.5371
155 D A 0.0000
156 K A -3.0633
157 Q A -2.9691
158 K A -3.0228
159 N A -2.8500
160 G A 0.0000
161 I A 0.0000
162 K A -1.0300
163 V A 0.0000
164 N A -0.2795
165 F A 0.0000
166 K A -1.8434
167 I A 0.0000
168 R A -1.6912
169 H A 0.0000
170 N A -1.4810
171 I A 0.0000
172 E A -3.1813
173 D A -3.0091
174 G A -1.9075
175 S A -1.0378
176 V A -0.3758
177 Q A 0.0000
178 L A -1.0149
179 A A 0.0000
180 D A 0.0000
181 H A 0.0000
182 Y A 0.6012
183 Q A 0.0000
184 Q A -0.8606
185 N A 0.0000
186 T A -1.0795
187 P A -0.9632
188 I A -0.4408
189 G A -1.3668
190 D A -2.2584
191 G A -1.5947
192 P A -0.7755
193 V A -0.3124
194 L A -0.2078
195 L A -0.5562
196 P A 0.0000
197 D A -2.3144
198 N A -1.7750
199 H A 0.0000
200 Y A -0.0006
201 L A 0.0000
202 S A -0.6351
203 T A 0.0000
204 Q A -1.3761
205 S A -0.5332
206 A A 0.0320
207 L A 0.0380
208 S A -0.6891
209 K A -1.9689
210 D A -2.1525
211 P A -1.8518
212 N A -2.4864
213 E A -2.7293
214 K A -3.3098
215 R A -3.3839
216 D A -2.2757
217 H A 0.0000
218 M A 0.0000
219 V A -0.2723
220 L A 0.0000
221 L A 0.5009
222 E A 0.0000
223 F A -0.2378
224 K A -0.7090 mutated: VA224K
225 T A -0.5077
226 A A 0.0000
227 A A -0.3572
228 G A -0.4859
229 I A -0.4847
230 T A -0.1849

 

Laboratory of Theory of Biopolymers 2015