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 WD and mutated (by FoldX) 1.92975 kcal/mol
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