Project name: 2CG4 [mutate: KA126L, KB126L]

Status: done

submitted: 2017-09-12 19:17:46, status changed: 2017-09-12 19:27:15
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Chain sequence(s) A: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
B: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KA126L, KB126L
Energy difference between WT (input) and mutated protein (by FoldX) 0.505599 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
-3.3381
Maximal score value
1.9372
Average score
-0.9048
Total score value
-269.6329

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
4 Y A 1.6797
5 L A 1.9372
6 I A 0.1269
7 D A -2.0875
8 N A -2.2519
9 L A -1.2505
10 D A 0.0000
11 R A -2.4763
12 G A -1.6945
13 I A 0.0000
14 L A 0.0000
15 E A -2.6006
16 A A -1.5580
17 L A 0.0000
18 M A -1.8291
19 G A -1.6072
20 N A -1.9274
21 A A 0.0000
22 R A -2.1059
23 T A -1.4171
24 A A -1.0131
25 Y A -1.4838
26 A A -1.6967
27 E A -2.6094
28 L A 0.0000
29 A A 0.0000
30 K A -2.7098
31 Q A -2.1730
32 F A -0.7549
33 G A -0.9281
34 V A -0.2882
35 S A -1.0795
36 P A -1.6024
37 E A -1.9606
38 T A -1.1039
39 I A 0.0000
40 H A -1.9127
41 V A -1.3284
42 R A -1.9877
43 V A 0.0000
44 E A -3.3381
45 K A -2.9442
46 M A 0.0000
47 K A -3.2449
48 Q A -2.7428
49 A A -1.3797
50 G A -1.6749
51 I A 0.0000
52 I A 0.0000
53 T A -1.1526
54 G A -1.4896
55 A A -1.9626
56 R A -2.1694
57 I A 0.0000
58 D A -1.6114
59 V A -1.0723
60 S A -1.1114
61 P A -1.9510
62 K A -2.9032
63 Q A -1.7894
64 L A -1.0747
65 G A -1.8639
66 Y A -2.5264
67 D A -2.6543
68 V A 0.0000
69 G A -0.5223
70 C A 0.0000
71 F A 0.0000
72 I A 0.0000
73 G A 0.0000
74 I A 0.0000
75 I A -0.8155
76 L A 0.0000
77 K A -2.6651
78 S A -1.6344
79 A A -1.2759
80 K A -2.1301
81 D A -1.7334
82 Y A 0.0000
83 P A -0.7787
84 S A -1.1492
85 A A 0.0000
86 L A -0.7099
87 A A -0.9991
88 K A -1.8126
89 L A 0.0000
90 E A -2.0694
91 S A -1.5077
92 L A -1.4756
93 D A -2.6254
94 E A -1.6918
95 V A 0.0000
96 T A 0.0000
97 E A 0.0000
98 A A 0.0000
99 Y A 0.0000
100 Y A 0.5528
101 T A 0.0000
102 T A 0.0258
103 G A -1.0517
104 H A -1.0926
105 Y A -0.4809
106 S A -0.4303
107 I A 0.0000
108 F A 0.0000
109 I A 0.0000
110 K A 0.0000
111 V A 0.0000
112 M A -1.2191
113 C A 0.0000
114 R A -2.6843
115 S A -1.6203
116 I A -0.5408
117 D A -2.0377
118 A A -1.5934
119 L A 0.0000
120 Q A -1.3967
121 H A -1.4517
122 V A 0.0000
123 L A 0.0090
124 I A 0.7020
125 N A -0.6824
126 L A -0.2119 mutated: KA126L
127 I A 0.0000
128 Q A -0.9238
129 T A -0.9858
130 I A 0.0000
131 D A -2.7092
132 E A -2.3805
133 I A 0.0000
134 Q A -2.2420
135 S A -1.2656
136 T A -0.9716
137 E A -1.3729
138 T A -0.6686
139 L A 0.0000
140 I A 0.7161
141 V A 0.7825
142 L A 1.2504
143 Q A 0.0354
144 N A 0.1097
145 P A -0.1708
146 I A 0.0000
147 M A 0.4610
148 R A -0.4680
149 T A -0.9134
150 I A 0.0000
151 K A -2.5867
152 P A -1.6588
4 Y B 1.5728
5 L B 1.7822
6 I B 0.0000
7 D B -1.5003
8 N B -1.8909
9 L B -1.0477
10 D B 0.0000
11 R B -2.0658
12 G B -1.4359
13 I B 0.0000
14 L B 0.0000
15 E B -2.5277
16 A B -1.5506
17 L B 0.0000
18 M B -1.8535
19 G B -1.7218
20 N B -2.2080
21 A B 0.0000
22 R B -2.0599
23 T B -1.3453
24 A B -0.8624
25 Y B -1.1949
26 A B -1.5492
27 E B -2.5553
28 L B 0.0000
29 A B 0.0000
30 K B -2.6601
31 Q B -2.1284
32 F B -0.6818
33 G B -0.8981
34 V B -0.2394
35 S B -0.6431
36 P B -1.3597
37 E B -1.6240
38 T B -0.6339
39 I B 0.0000
40 H B -1.1436
41 V B -0.2290
42 R B -0.9077
43 V B 0.0000
44 E B -2.4969
45 K B -2.0991
46 M B 0.0000
47 K B -2.7699
48 Q B -2.4873
49 A B -1.3185
50 G B -1.6423
51 I B 0.0000
52 I B 0.0000
53 T B -1.0432
54 G B -1.2264
55 A B -1.9054
56 R B -2.1660
57 I B 0.0000
58 D B -1.7214
59 V B -1.1072
60 S B -1.0189
61 P B -1.8925
62 K B -2.7398
63 Q B -1.2465
64 L B 0.0000
65 G B -1.6481
66 Y B -2.3621
67 D B -2.5143
68 V B 0.0000
69 G B -0.5774
70 C B 0.0000
71 F B 0.0000
72 I B 0.0000
73 G B 0.0000
74 I B 0.0000
75 I B -0.8392
76 L B 0.0000
77 K B -2.7058
78 S B -1.6805
79 A B -1.2554
80 K B -2.0920
81 D B -1.6443
82 Y B -0.6955
83 P B -0.6145
84 S B -0.7967
85 A B 0.0000
86 L B -0.5238
87 A B -0.7681
88 K B -1.3066
89 L B 0.0000
90 E B -1.9631
91 S B -1.3712
92 L B -1.2353
93 D B -2.2131
94 E B -1.5789
95 V B 0.0000
96 T B 0.0000
97 E B -0.3361
98 A B 0.0000
99 Y B 0.0000
100 Y B 0.8492
101 T B 0.0000
102 T B 0.0788
103 G B -0.9930
104 H B -1.0738
105 Y B -0.4723
106 S B -0.3068
107 I B 0.0000
108 F B 0.0000
109 I B 0.0000
110 K B 0.0000
111 V B 0.0000
112 M B -1.2064
113 C B 0.0000
114 R B -2.6905
115 S B -1.5438
116 I B -0.4444
117 D B -1.9041
118 A B -1.4302
119 L B 0.0000
120 Q B -0.9653
121 H B -1.1870
122 V B 0.0000
123 L B 0.0890
124 I B 0.7787
125 N B -0.6483
126 L B -0.1426 mutated: KB126L
127 I B 0.0000
128 Q B -0.9844
129 T B -0.8421
130 I B 0.0000
131 D B -2.6485
132 E B -2.2947
133 I B 0.0000
134 Q B -2.2923
135 S B -1.4341
136 T B -1.2244
137 E B -1.8078
138 T B -0.8922
139 L B 0.0000
140 I B 0.6208
141 V B 0.5688
142 L B 1.1287
143 Q B 0.0086
144 N B -0.3505
145 P B -0.3813
146 I B 0.0000
147 M B 0.4110
148 R B -0.7034
149 T B -1.0428
150 I B 0.0000
151 K B -2.6935
152 P B -1.6856

 

Laboratory of Theory of Biopolymers 2015