Project name: 1YAC [mutate: DA92Y, EA94Y, KA98Y, KA101Y, DB92Y, EB94Y, KB98Y, KB101Y]

Status: done

submitted: 2017-09-12 19:05:29, status changed: 2017-09-12 19:18:36
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Chain sequence(s) A: TKPYVRLDKNDAAVLLVDHQAGLLSLVRDIEPDKFKNNVLALGDLAKYFNLPTILTTSAETGPNGPLVPELKAQFPDAPYIARPGNINAWDNEDFVKAVKATGKKQLIIAGVVTEVCVAFPALSAIEEGFDVFVVTDASGTFNEITRHSAWDRMSQAGAQLMTWFGVACELHRDWRNDIAGLATLFSNHIPDYRNLMTSYDTLT
B: TKPYVRLDKNDAAVLLVDHQAGLLSLVRDIEPDKFKNNVLALGDLAKYFNLPTILTTSAETGPNGPLVPELKAQFPDAPYIARPGNINAWDNEDFVKAVKATGKKQLIIAGVVTEVCVAFPALSAIEEGFDVFVVTDASGTFNEITRHSAWDRMSQAGAQLMTWFGVACELHRDWRNDIAGLATLFSNHIPDYRNLMTSYDTLT
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA92Y, EA94Y, KA98Y, KA101Y, DB92Y, EB94Y, KB98Y, KB101Y
Energy difference between WT (input) and mutated protein (by FoldX) -1.97455 kcal/mol
Show buried residues

Minimal score value
-3.2871
Maximal score value
1.5875
Average score
-0.4126
Total score value
-168.3536

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
2 T A -0.8042
3 K A -1.4268
4 P A -0.3854
5 Y A 0.7991
6 V A 0.2562
7 R A -0.8359
8 L A 0.0000
9 D A -2.0915
10 K A -2.1522
11 N A -2.4383
12 D A -2.1898
13 A A 0.0000
14 A A 0.0000
15 V A 0.0000
16 L A 0.0000
17 L A 0.0000
18 V A 0.0000
19 D A 0.0000
20 H A 0.0000
21 Q A 0.0000
22 A A 0.0000
23 G A -0.2553
24 L A 0.2269
25 L A -0.0939
26 S A -0.2363
27 L A 0.5292
28 V A 0.0000
29 R A -1.9803
30 D A -1.4308
31 I A 0.0000
32 E A -1.9413
33 P A -1.7980
34 D A -1.7406
35 K A -1.6858
36 F A 0.0000
37 K A -0.8596
38 N A -0.7760
39 N A 0.0000
40 V A 0.0000
41 L A -0.2014
42 A A 0.0000
43 L A 0.0000
44 G A 0.0000
45 D A -1.0939
46 L A 0.0000
47 A A 0.0000
48 K A -1.5826
49 Y A -0.7090
50 F A 0.0000
51 N A -1.8579
52 L A 0.0000
53 P A -0.9077
54 T A 0.0000
55 I A 0.0000
56 L A 0.0000
57 T A 0.0000
58 T A 0.0000
59 S A -0.2112
60 A A -0.5000
61 E A -0.7284
62 T A -0.3097
63 G A -0.4022
64 P A -0.5650
65 N A -0.4767
66 G A 0.0000
67 P A -0.1496
68 L A 0.0000
69 V A 0.0000
70 P A -0.6210
71 E A -0.7264
72 L A 0.0000
73 K A -1.2241
74 A A -0.8924
75 Q A -1.1385
76 F A 0.0000
77 P A -1.3380
78 D A -1.9757
79 A A -0.9921
80 P A -0.5194
81 Y A -0.1074
82 I A 0.0000
83 A A -0.3405
84 R A 0.0000
85 P A -0.5321
86 G A -0.3945
87 N A 0.2366
88 I A 1.3263
89 N A 0.0000
90 A A 0.0000
91 W A 0.0000
92 Y A 1.5875 mutated: DA92Y
93 N A 0.0000
94 Y A 1.1592 mutated: EA94Y
95 D A -0.2847
96 F A 0.0000
97 V A 1.2920
98 Y A 1.5167 mutated: KA98Y
99 A A 0.7455
100 V A 0.0000
101 Y A 0.9486 mutated: KA101Y
102 A A 0.7233
103 T A -0.0970
104 G A -0.8619
105 K A -1.6614
106 K A -2.0762
107 Q A 0.0000
108 L A 0.0000
109 I A 0.0000
110 I A 0.0000
111 A A 0.0000
112 G A 0.0000
113 V A 0.0000
114 V A 0.0000
115 T A 0.0000
116 E A -0.2472
117 V A 0.6639
118 C A 0.0000
119 V A 0.0000
120 A A 0.0000
121 F A 1.0793
122 P A 0.0000
123 A A 0.0000
124 L A -0.5544
125 S A -0.4253
126 A A 0.0000
127 I A -1.2495
128 E A -2.4548
129 E A -2.2643
130 G A -1.8092
131 F A 0.0000
132 D A -1.5247
133 V A 0.0000
134 F A 0.0000
135 V A 0.0000
136 V A 0.0000
137 T A 0.0000
138 D A -0.2000
139 A A 0.0000
140 S A 0.0000
141 G A 0.0000
142 T A 0.0000
143 F A 0.3097
144 N A -0.7875
145 E A -1.1694
146 I A 0.9772
147 T A 0.2559
148 R A -0.8375
149 H A -1.2173
150 S A -1.2070
151 A A 0.0000
152 W A -1.5209
153 D A -3.1374
154 R A -3.2017
155 M A 0.0000
156 S A -2.0511
157 Q A -2.5701
158 A A -1.7579
159 G A -1.6479
160 A A 0.0000
161 Q A -1.0111
162 L A -0.1840
163 M A 0.1695
164 T A 0.3246
165 W A 0.0000
166 F A 1.1750
167 G A 0.4742
168 V A 0.0000
169 A A 0.0000
170 C A 0.0298
171 E A -0.9102
172 L A 0.0000
173 H A 0.0000
174 R A -2.0892
175 D A -1.8276
176 W A -0.8296
177 R A -2.2072
178 N A -2.3057
179 D A -1.0249
180 I A 0.8434
181 A A 0.4499
182 G A 0.2761
183 L A 0.0000
184 A A 0.2821
185 T A -0.1762
186 L A 0.0000
187 F A 0.0000
188 S A -0.9459
189 N A -1.3564
190 H A 0.0000
191 I A -0.7688
192 P A -1.5057
193 D A -1.7804
194 Y A -0.7479
195 R A -0.9396
196 N A -0.5667
197 L A 0.1749
198 M A 0.1386
199 T A -0.1229
200 S A 0.3874
201 Y A 1.0614
202 D A -0.5730
203 T A 0.1936
204 L A 1.3189
205 T A 0.4195
2 T B -0.8010
3 K B -1.4306
4 P B -0.4056
5 Y B 0.7552
6 V B 0.1358
7 R B -1.0417
8 L B 0.0000
9 D B -2.3815
10 K B -2.3867
11 N B -2.4754
12 D B -2.2421
13 A B 0.0000
14 A B 0.0000
15 V B 0.0000
16 L B 0.0000
17 L B 0.0000
18 V B 0.0000
19 D B 0.0000
20 H B 0.0000
21 Q B 0.0000
22 A B 0.0000
23 G B -0.2473
24 L B 0.1989
25 L B -0.2874
26 S B -0.2450
27 L B 0.4149
28 V B 0.0000
29 R B -1.9350
30 D B -1.3566
31 I B 0.0000
32 E B -2.0557
33 P B -1.9929
34 D B -1.8813
35 K B -1.8885
36 F B 0.0000
37 K B -1.5712
38 N B 0.0000
39 N B 0.0000
40 V B 0.0000
41 L B -0.5312
42 A B 0.0000
43 L B 0.0000
44 G B 0.0000
45 D B -1.1638
46 L B 0.0000
47 A B 0.0000
48 K B -1.5463
49 Y B -0.7077
50 F B 0.0000
51 N B -1.8548
52 L B 0.0000
53 P B -0.9104
54 T B 0.0000
55 I B 0.0000
56 L B 0.0000
57 T B 0.0000
58 T B 0.0000
59 S B -0.2198
60 A B -0.4987
61 E B -0.7129
62 T B -0.2965
63 G B -0.3856
64 P B -0.5569
65 N B -0.4777
66 G B 0.0000
67 P B -0.1609
68 L B 0.0000
69 V B 0.0000
70 P B -0.6940
71 E B -0.8589
72 L B 0.0000
73 K B -1.4134
74 A B -0.9909
75 Q B -1.2066
76 F B 0.0000
77 P B -1.3915
78 D B -2.0096
79 A B -1.0444
80 P B -0.5714
81 Y B -0.1976
82 I B 0.0000
83 A B -0.3540
84 R B 0.0000
85 P B -0.5335
86 G B -0.3950
87 N B 0.2284
88 I B 1.2618
89 N B 0.0000
90 A B 0.0000
91 W B 0.0000
92 Y B 1.5797 mutated: DB92Y
93 N B 0.0000
94 Y B 1.1758 mutated: EB94Y
95 D B -0.2840
96 F B 0.0000
97 V B 1.3148
98 Y B 1.5321 mutated: KB98Y
99 A B 0.7359
100 V B 0.0000
101 Y B 0.9901 mutated: KB101Y
102 A B 0.7180
103 T B -0.0947
104 G B -0.7220
105 K B -1.6252
106 K B -1.9900
107 Q B 0.0000
108 L B 0.0000
109 I B 0.0000
110 I B 0.0000
111 A B 0.0000
112 G B 0.0000
113 V B 0.0000
114 V B 0.0000
115 T B 0.0000
116 E B -0.2247
117 V B 0.6432
118 C B 0.0000
119 V B 0.0000
120 A B 0.0000
121 F B 1.1775
122 P B 0.0000
123 A B 0.0000
124 L B -0.5592
125 S B -0.4389
126 A B 0.0000
127 I B -1.2188
128 E B -2.4605
129 E B -2.3039
130 G B -1.7634
131 F B -1.2365
132 D B -1.4737
133 V B 0.0000
134 F B 0.0000
135 V B 0.0000
136 V B 0.0000
137 T B 0.0000
138 D B -0.1891
139 A B 0.0000
140 S B 0.0000
141 G B 0.0000
142 T B 0.0000
143 F B 0.4777
144 N B -0.6345
145 E B -1.0140
146 I B 1.0846
147 T B 0.3644
148 R B -0.7468
149 H B -1.1738
150 S B -1.2149
151 A B 0.0000
152 W B -1.5289
153 D B -3.1408
154 R B -3.2871
155 M B 0.0000
156 S B -2.0872
157 Q B -2.5844
158 A B -1.7703
159 G B -1.6695
160 A B 0.0000
161 Q B -1.1095
162 L B -0.2038
163 M B 0.1346
164 T B 0.2183
165 W B 0.0000
166 F B 1.1285
167 G B 0.4524
168 V B 0.0000
169 A B 0.0000
170 C B -0.1292
171 E B -1.1211
172 L B 0.0000
173 H B 0.0000
174 R B -2.6368
175 D B -2.0820
176 W B -0.9618
177 R B -2.2554
178 N B -2.3613
179 D B -0.9751
180 I B 0.8397
181 A B 0.4531
182 G B 0.2800
183 L B 0.0000
184 A B 0.2985
185 T B -0.1427
186 L B 0.0000
187 F B 0.0000
188 S B -0.9188
189 N B -1.3344
190 H B 0.0000
191 I B -0.6564
192 P B -1.3331
193 D B -1.7065
194 Y B -0.7612
195 R B -0.8725
196 N B -0.5630
197 L B 0.1183
198 M B 0.1315
199 T B -0.1144
200 S B 0.3762
201 Y B 1.0492
202 D B -0.5823
203 T B 0.1894
204 L B 1.3063
205 T B 0.4059

 

Laboratory of Theory of Biopolymers 2015