Project name: Chain A E38A-2 [mutate: EA38A]

Status: done

submitted: 2020-01-21 00:18:09, status changed: 2020-01-21 00:33:43
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Chain sequence(s) A: MQDPYVKEAENLKKYFNAGHSDVADNGTLFLGILKNWKEESDRKIMQSQIVSFYFKLFKNFKDDQSIQKSVETIKEDMNVKFFNSNKKKRDDFEKLTNYSVTDLNVQRKAIHELIQVMAELSPAAKT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues EA38A
Energy difference between WT (input) and mutated protein (by FoldX) 0.177105 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
-4.2836
Maximal score value
1.8548
Average score
-1.2566
Total score value
-159.5847

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
0 M A 0.0676
1 Q A -1.5384
2 D A -1.9031
3 P A -1.2283
4 Y A -1.4569
5 V A -1.5366
6 K A -2.6445
7 E A 0.0000
8 A A -1.8136
9 E A -3.2641
10 N A -2.5376
11 L A 0.0000
12 K A -3.3565
13 K A -3.0776
14 Y A -0.9210
15 F A -0.8117
16 N A -1.9078
17 A A -1.6122
18 G A -2.0946
19 H A -1.9254
20 S A -1.5419
21 D A -2.1044
22 V A -0.5177
23 A A -1.2366
24 D A -2.5540
25 N A -2.1095
26 G A -0.8624
27 T A 0.6317
28 L A 1.8548
29 F A 1.4599
30 L A 1.5470
31 G A 0.3942
32 I A 0.5983
33 L A -0.2188
34 K A -1.8738
35 N A -1.9389
36 W A -1.8863
37 K A -2.9725
38 A A -2.2007 mutated: EA38A
39 E A -2.6641
40 S A -1.5549
41 D A -1.4397
42 R A -1.9793
43 K A -1.1483
44 I A 0.7313
45 M A 0.1687
46 Q A -0.6026
47 S A -0.4219
48 Q A -0.7738
49 I A 0.0000
50 V A 0.0000
51 S A -0.5720
52 F A -0.2420
53 Y A -0.1942
54 F A -1.0782
55 K A -1.9897
56 L A -1.0633
57 F A 0.0000
58 K A -3.1110
59 N A -2.8232
60 F A -2.4129
61 K A -3.1930
62 D A -3.3062
63 D A -2.7061
64 Q A -2.5832
65 S A -1.5221
66 I A 0.0000
67 Q A -2.4655
68 K A -2.6214
69 S A 0.0000
70 V A 0.0000
71 E A -3.1163
72 T A -2.1615
73 I A -1.5202
74 K A -2.1808
75 E A -2.5379
76 D A -1.7563
77 M A -1.2704
78 N A -1.9912
79 V A -1.2980
80 K A -2.0221
81 F A -1.5349
82 F A 0.0000
83 N A -2.4207
84 S A -2.4966
85 N A -3.6961
86 K A -4.1001
87 K A -4.2836
88 K A -4.2615
89 R A -3.7877
90 D A -3.5761
91 D A -2.7943
92 F A 0.0000
93 E A -2.5298
94 K A -2.2393
95 L A -0.0030
96 T A -0.9259
97 N A -0.8450
98 Y A 0.6936
99 S A 0.7902
100 V A 1.5491
101 T A 0.6280
102 D A -0.2636
103 L A -0.0240
104 N A -1.5287
105 V A -0.9119
106 Q A -1.2337
107 R A -2.8577
108 K A -2.9107
109 A A -1.0985
110 I A -0.0251
111 H A -1.5436
112 E A -1.3909
113 L A 0.7664
114 I A 1.6352
115 Q A -0.1635
116 V A 0.6680
117 M A 1.3797
118 A A 0.2455
119 E A -0.6548
120 L A 0.8072
121 S A 0.1094
122 P A -0.2585
123 A A -0.5717
124 A A -0.8361
125 K A -1.6930
126 T A -0.8792

 

Laboratory of Theory of Biopolymers 2015