Project name: 2CG4 [mutate: KA77Y, KA80Y, KA88Y, KB77Y, KB80Y, KB88Y]

Status: done

submitted: 2017-09-12 19:14:46, status changed: 2017-09-13 10:21:44
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Chain sequence(s) A: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
B: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KA77Y, KA80Y, KA88Y, KB77Y, KB80Y, KB88Y
Energy difference between WT (input) and mutated protein (by FoldX) 5.03061 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
-0.7689
Total score value
-229.1351

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 -0.5135
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 -0.0748
76 L A 0.0000
77 Y A 0.7738 mutated: KA77Y
78 S A 0.7228
79 A A 0.8185
80 Y A 1.2218 mutated: KA80Y
81 D A 0.2277
82 Y A 0.0000
83 P A 0.0913
84 S A -0.1387
85 A A 0.0000
86 L A 0.0323
87 A A 0.1382
88 Y A 0.3148 mutated: KA88Y
89 L A 0.0000
90 E A -1.3334
91 S A -0.9657
92 L A -1.2804
93 D A -2.5754
94 E A -1.7757
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 -1.0921
105 Y A -0.4799
106 S A 0.2208
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 -1.1939
113 C A 0.0000
114 R A -2.6761
115 S A -1.6203
116 I A -0.5408
117 D A -2.0377
118 A A -1.5857
119 L A 0.0000
120 Q A -1.6504
121 H A -1.8601
122 V A 0.0000
123 L A -0.5928
124 I A -0.0453
125 N A -1.6059
126 K A -1.5774
127 I A 0.0000
128 Q A -1.4213
129 T A -1.2640
130 I A 0.0000
131 D A -1.9726
132 E A -0.8475
133 I A -0.9187
134 Q A -1.0807
135 S A -0.7391
136 T A -0.9343
137 E A -1.3728
138 T A -0.6687
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 -0.4672
149 T A -0.8980
150 I A 0.0000
151 K A -2.5672
152 P A -1.6581
4 Y B 1.5728
5 L B 1.7822
6 I B 0.0000
7 D B -1.5111
8 N B -1.9066
9 L B -1.0618
10 D B 0.0000
11 R B -2.1105
12 G B -1.4559
13 I B 0.0000
14 L B 0.0000
15 E B -2.5395
16 A B -1.5566
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 -1.1948
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 -2.1281
32 F B -0.6814
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 -0.5664
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 -0.2185
76 L B 0.0000
77 Y B 0.6945 mutated: KB77Y
78 S B 0.6927
79 A B 0.8465
80 Y B 1.2438 mutated: KB80Y
81 D B 0.2177
82 Y B 0.4779
83 P B 0.1228
84 S B -0.0141
85 A B 0.0000
86 L B -0.0121
87 A B 0.0433
88 Y B 0.1861 mutated: KB88Y
89 L B 0.0000
90 E B -1.4427
91 S B -1.0096
92 L B -1.1366
93 D B -2.1510
94 E B -1.6204
95 V B 0.0000
96 T B 0.0000
97 E B -0.3220
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 -1.0821
105 Y B -0.4867
106 S B 0.3018
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 -1.1709
113 C B 0.0000
114 R B -2.6796
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 -1.1204
121 H B -1.4632
122 V B 0.0000
123 L B -0.3215
124 I B 0.3894
125 N B -1.3464
126 K B -1.3591
127 I B 0.0000
128 Q B -1.3635
129 T B -1.0971
130 I B 0.0000
131 D B -2.0548
132 E B -0.9324
133 I B 0.0000
134 Q B -1.1842
135 S B -0.9682
136 T B -1.2295
137 E B -1.8118
138 T B -0.8906
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 -1.0327
150 I B 0.0000
151 K B -2.6864
152 P B -1.6970

 

Laboratory of Theory of Biopolymers 2015