Project name: 1bmz [mutate: TA106K]

Status: done

submitted: 2018-07-30 13:30:55, status changed: 2018-07-31 10:53:49
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Chain sequence(s) A: CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVT
B: CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVT
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues TA106K
Energy difference between WT (input) and mutated protein (by FoldX) -0.56688 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
-2.4985
Maximal score value
1.8667
Average score
-0.273
Total score value
-62.2416

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
10 C A 0.7316
11 P A 0.0000
12 L A 0.0000
13 M A 0.0494
14 V A 0.0000
15 K A -0.5468
16 V A 0.0000
17 L A 0.5150
18 D A 0.0000
19 A A 0.3762
20 V A 1.4950
21 R A -1.2203
22 G A -0.7483
23 S A -0.1658
24 P A -0.0195
25 A A 0.0000
26 I A 0.3662
27 N A -1.1622
28 V A 0.0000
29 A A -0.2138
30 V A 0.0000
31 H A -0.5970
32 V A 0.0000
33 F A 0.2623
34 R A -0.4968
35 K A -0.6472
36 A A -0.0929
37 A A -0.2701
38 D A -2.1088
39 D A -2.1310
40 T A -0.3221
41 W A -0.0382
42 E A -1.7936
43 P A -0.4801
44 F A 0.2891
45 A A 0.0245
46 S A -0.3194
47 G A -0.5078
48 K A -1.7268
49 T A 0.0000
50 S A -0.4289
51 E A -1.8733
52 S A -0.5318
53 G A 0.0000
54 E A -0.3720
55 L A 0.0000
56 H A -1.0769
57 G A -0.6191
58 L A 0.0808
59 T A 0.0139
60 T A -0.3865
61 E A -2.1668
62 E A -2.4985
63 E A -2.1603
64 F A 0.0000
65 V A 0.5490
66 E A -1.6757
67 G A -0.3308
68 I A 0.4485
69 Y A 0.0000
70 K A 0.0000
71 V A 0.0000
72 E A -0.2732
73 I A 0.0000
74 D A -0.5527
75 T A 0.0000
76 K A -0.6689
77 S A -0.2841
78 Y A 0.0000
79 W A 0.0000
80 K A -1.7377
81 A A -0.1515
82 L A 0.4680
83 G A -0.4447
84 I A 0.4024
85 S A -0.1234
86 P A -0.0787
87 F A 0.0000
88 H A 0.0000
89 E A -0.2382
90 H A -0.2721
91 A A 0.0000
92 E A 0.0000
93 V A 0.0000
94 V A 0.0000
95 F A 0.0000
96 T A 0.0474
97 A A 0.0000
98 N A 0.0000
99 D A -1.8283
100 S A -0.5681
101 G A -0.2280
102 P A -0.3850
103 R A -1.1811
104 R A -1.9913
105 Y A 0.0000
106 K A -0.6203 mutated: TA106K
107 I A 0.0000
108 A A -0.0490
109 A A 0.0000
110 L A 1.2604
111 L A 0.0000
112 S A -0.0563
113 P A 0.0581
114 Y A 0.6286
115 S A 0.0747
116 Y A 0.0000
117 S A -0.0586
118 T A 0.0000
119 T A -0.0340
120 A A 0.0000
121 V A 1.2649
122 V A 0.7210
123 T A 0.0249
10 C B 0.6389
11 P B 0.0000
12 L B 0.0000
13 M B 0.1442
14 V B 0.0000
15 K B -0.4896
16 V B 0.0000
17 L B 0.6617
18 D B 0.0000
19 A B 0.3427
20 V B 1.2637
21 R B -1.5856
22 G B -0.8093
23 S B -0.1754
24 P B 0.0028
25 A B 0.0000
26 I B 0.4499
27 N B -1.1468
28 V B 0.0000
29 A B -0.2100
30 V B 0.0000
31 H B -0.6175
32 V B 0.0000
33 F B 0.1926
34 R B -0.4616
35 K B -0.4356
36 A B -0.2369
37 A B -0.2781
38 D B -2.1113
39 D B -2.1339
40 T B -0.3177
41 W B 0.0066
42 E B -1.7897
43 P B -0.4927
44 F B 0.2846
45 A B 0.0245
46 S B -0.3176
47 G B -0.4867
48 K B -1.7230
49 T B 0.0000
50 S B -0.4287
51 E B -1.8683
52 S B -0.5047
53 G B 0.0000
54 E B -0.4375
55 L B 0.0000
56 H B -1.0775
57 G B -0.6210
58 L B 0.0762
59 T B 0.0124
60 T B -0.3828
61 E B -2.1653
62 E B -2.4922
63 E B -2.1555
64 F B 0.0000
65 V B 0.6216
66 E B -1.6589
67 G B -0.3479
68 I B 0.4201
69 Y B 0.0000
70 K B -0.1876
71 V B 0.0000
72 E B -0.2804
73 I B 0.0000
74 D B -0.5981
75 T B 0.0000
76 K B -0.2992
77 S B -0.2010
78 Y B 0.0000
79 W B 0.0000
80 K B -1.7387
81 A B -0.1721
82 L B 0.3962
83 G B -0.4530
84 I B 0.4546
85 S B -0.1121
86 P B -0.0735
87 F B 0.0000
88 H B 0.0000
89 E B -0.2918
90 H B -0.2731
91 A B 0.0000
92 E B 0.0000
93 V B 0.0000
94 V B 0.0000
95 F B 0.0000
96 T B 0.0469
97 A B 0.0000
98 N B 0.0000
99 D B -1.8279
100 S B -0.5740
101 G B -0.2794
102 P B -0.4294
103 R B -1.3348
104 R B -2.0179
105 Y B 0.0000
106 T B 0.0063
107 I B 0.0000
108 A B -0.0425
109 A B 0.0000
110 L B 0.8526
111 L B 0.0000
112 S B -0.0522
113 P B 0.0713
114 Y B 0.6779
115 S B 0.0895
116 Y B 0.0000
117 S B -0.0571
118 T B 0.0000
119 T B -0.0356
120 A B 0.0000
121 V B 1.8667
122 V B 0.8236
123 T B 0.0234

 

Laboratory of Theory of Biopolymers 2015