Project name: 2CG4 [mutate: DA131L, DB131L]

Status: done

submitted: 2017-09-12 19:18:51, status changed: 2017-09-12 19:27:00
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Chain sequence(s) A: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
B: YLIDNLDRGILEALMGNARTAYAELAKQFGVSPETIHVRVEKMKQAGIITGARIDVSPKQLGYDVGCFIGIILKSAKDYPSALAKLESLDEVTEAYYTTGHYSIFIKVMCRSIDALQHVLINKIQTIDEIQSTETLIVLQNPIMRTIKP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA131L, DB131L
Energy difference between WT (input) and mutated protein (by FoldX) -1.9646 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
-0.8774
Total score value
-261.4637

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 -0.8019
76 L A 0.0000
77 K A -2.1978
78 S A -1.6156
79 A A -1.2636
80 K A -2.1191
81 D A -1.3561
82 Y A 0.0000
83 P A -0.7578
84 S A -0.7230
85 A A 0.0000
86 L A -0.6467
87 A A -0.9200
88 K A -1.4423
89 L A 0.0000
90 E A -2.0095
91 S A -1.6159
92 L A -1.7017
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 -0.4302
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 -0.5913
124 I A -0.0439
125 N A -1.6033
126 K A -1.8413
127 I A 0.0000
128 Q A -0.8164
129 T A -0.5033
130 I A 0.0000
131 L A 0.6952 mutated: DA131L
132 E A -0.6529
133 I A 0.0000
134 Q A -1.6545
135 S A -1.2540
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 1.8026
6 I B 0.0000
7 D B -1.4363
8 N B -1.8896
9 L B -1.0581
10 D B 0.0000
11 R B -2.1685
12 G B -1.4825
13 I B 0.0000
14 L B 0.0000
15 E B -2.5617
16 A B -1.5685
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 -0.8311
76 L B 0.0000
77 K B -2.2337
78 S B -1.6695
79 A B -1.2482
80 K B -2.0855
81 D B -1.2759
82 Y B -0.6861
83 P B -0.5976
84 S B -0.3798
85 A B 0.0000
86 L B -0.4782
87 A B -0.7073
88 K B -0.9697
89 L B 0.0000
90 E B -1.9163
91 S B -1.4683
92 L B -1.4368
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 -0.3215
124 I B 0.3894
125 N B -1.3464
126 K B -1.5472
127 I B 0.0000
128 Q B -0.7196
129 T B -0.2837
130 I B 0.0000
131 L B 0.7324 mutated: DB131L
132 E B -0.6095
133 I B 0.0000
134 Q B -1.7226
135 S B -1.4270
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 -2.6952
152 P B -1.7175

 

Laboratory of Theory of Biopolymers 2015