Project name: 2CG4 [mutate: KA126Y, DA131Y, KB126Y, DB131Y]

Status: done

submitted: 2017-09-12 19:17:08, status changed: 2017-09-12 19:27:35
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Chain sequence(s) A: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
B: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KA126Y, DA131Y, KB126Y, DB131Y
Energy difference between WT (input) and mutated protein (by FoldX) 1.92975 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
-3.3381
Maximal score value
1.9372
Average score
-0.8323
Total score value
-248.0224

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 -0.5212
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 -0.7759
76 L A 0.0000
77 K A -2.1737
78 S A -1.5803
79 A A -1.2405
80 K A -2.0905
81 D A -1.3138
82 Y A 0.0000
83 P A -0.7281
84 S A -0.6539
85 A A 0.0000
86 L A -0.5992
87 A A -0.8829
88 K A -1.1799
89 L A 0.0000
90 E A -1.9860
91 S A -1.4052
92 L A -1.3582
93 D A -2.6036
94 E A -1.6457
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 -0.4300
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 -1.2161
113 C A 0.0000
114 R A -2.6833
115 S A -1.6203
116 I A -0.5408
117 D A -2.0377
118 A A -1.5925
119 L A 0.0000
120 Q A -1.3718
121 H A -1.4066
122 V A 0.0000
123 L A 0.0747
124 I A 0.7650
125 N A -0.5695
126 Y A 0.0511 mutated: KA126Y
127 I A 0.0000
128 Q A -0.2245
129 T A 0.0741
130 I A 0.0000
131 Y A 0.5639 mutated: DA131Y
132 E A 0.0000
133 I A 0.0000
134 Q A -1.6479
135 S A -1.2320
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 -0.9154
150 I A 0.0000
151 K A -2.5893
152 P A -1.6588
4 Y B 1.5728
5 L B 1.7871
6 I B 0.0000
7 D B -1.4757
8 N B -1.8772
9 L B -1.0382
10 D B 0.0000
11 R B -2.0535
12 G B -1.4295
13 I B 0.0000
14 L B 0.0000
15 E B -2.5259
16 A B -1.5496
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 -0.5790
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 -0.8390
76 L B 0.0000
77 K B -2.2824
78 S B -1.6803
79 A B -1.2553
80 K B -2.0919
81 D B -1.3158
82 Y B -0.6953
83 P B -0.5899
84 S B -0.4023
85 A B 0.0000
86 L B -0.4634
87 A B -0.6784
88 K B -0.7166
89 L B 0.0000
90 E B -1.9125
91 S B -1.2815
92 L B -1.1418
93 D B -2.2271
94 E B -1.5545
95 V B 0.0000
96 T B 0.0000
97 E B -0.3380
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 -1.2114
113 C B 0.0000
114 R B -2.6921
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 -0.9209
121 H B -1.1080
122 V B 0.0000
123 L B 0.2092
124 I B 0.8944
125 N B -0.4435
126 Y B 0.2915 mutated: KB126Y
127 I B 0.0000
128 Q B -0.2671
129 T B 0.2128
130 I B 0.0000
131 Y B 0.4833 mutated: DB131Y
132 E B -0.7718
133 I B 0.0000
134 Q B -1.7754
135 S B -1.4340
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 -0.3819
146 I B 0.0000
147 M B 0.4041
148 R B -0.7174
149 T B -1.0484
150 I B 0.0000
151 K B -2.6930
152 P B -1.6839

 

Laboratory of Theory of Biopolymers 2015