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

Status: done

submitted: 2017-09-12 19:18:22, status changed: 2017-09-12 19:27:07
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Chain sequence(s) A: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
B: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA131Y, DB131Y
Energy difference between WT (input) and mutated protein (by FoldX) -0.0458049 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
1.9439
Average score
-0.88
Total score value
-262.2431

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 1.6900
5 L A 1.9439
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 -1.3681
50 G A -1.6599
51 I A 0.0000
52 I A 0.0000
53 T A -1.1524
54 G A -1.4895
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 -0.5128
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 -0.8141
76 L A 0.0000
77 K A -2.2546
78 S A -1.6332
79 A A -1.2755
80 K A -2.1305
81 D A -1.4075
82 Y A 0.0000
83 P A -0.7354
84 S A -0.7202
85 A A 0.0000
86 L A -0.5989
87 A A -0.8327
88 K A -1.2967
89 L A 0.0000
90 E A -1.9537
91 S A -1.5622
92 L A -1.6684
93 D A -2.5868
94 E A -1.7785
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 -0.4306
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 -1.1920
113 C A 0.0000
114 R A -2.6755
115 S A -1.6203
116 I A -0.5408
117 D A -2.0377
118 A A -1.5851
119 L A 0.0000
120 Q A -1.6498
121 H A -1.8591
122 V A 0.0000
123 L A -0.5871
124 I A -0.0376
125 N A -1.5954
126 K A -1.8111
127 I A 0.0000
128 Q A -0.8599
129 T A -0.5411
130 I A 0.0000
131 Y A 0.4479 mutated: DA131Y
132 E A -0.8325
133 I A 0.0000
134 Q A -1.7126
135 S A -1.2644
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 -0.1721
146 I A 0.0000
147 M A 0.4588
148 R A -0.4707
149 T A -0.9003
150 I A 0.0000
151 K A -2.5691
152 P A -1.6588
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 -1.7212
59 V B -1.0979
60 S B -0.9994
61 P B -1.8732
62 K B -2.7106
63 Q B -1.1869
64 L B 0.0000
65 G B -1.6282
66 Y B -2.3499
67 D B -2.5060
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 -0.8390
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 -0.4656
87 A B -0.6788
88 K B -0.9419
89 L B 0.0000
90 E B -1.8984
91 S B -1.4509
92 L B -1.4255
93 D B -2.1597
94 E B -1.6248
95 V B 0.0000
96 T B 0.0000
97 E B -0.3246
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 -1.1718
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 -0.3187
124 I B 0.3937
125 N B -1.3412
126 K B -1.5347
127 I B 0.0000
128 Q B -0.7635
129 T B -0.3352
130 I B 0.0000
131 Y B 0.4832 mutated: DB131Y
132 E B -0.7719
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 -0.3813
146 I B 0.0000
147 M B 0.4110
148 R B -0.7034
149 T B -1.0319
150 I B 0.0000
151 K B -2.6855
152 P B -1.6970

 

Laboratory of Theory of Biopolymers 2015