Project name: 2AN9 [mutate: DA60Y, EA61Y, KA63Y, EA64Y, DB60Y, EB61Y, KB63Y, EB64Y]

Status: done

submitted: 2017-09-12 19:07:58, status changed: 2017-09-12 19:20:53
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Chain sequence(s) A: AQGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKLLA
B: AQGTLYIVSAPSGAGKSSLIQALLKTQPLYDTQVSVSHTTRQPRPGEVHGEHYFFVNHDEFKEMISRDAFLEHAEVFGNYYGTSREAIEQVLATGVDVFLDIDWQGAQQIRQKMPHARSIFILPPSKIELDRRLRGRGQDSEEVIAKRMAQAVAEMSHYAEYDYLIVNDDFDTALTDLKTIIRAERLRMSRQKQRHDALISKLLA
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA60Y, EA61Y, KA63Y, EA64Y, DB60Y, EB61Y, KB63Y, EB64Y
Energy difference between WD and mutated (by FoldX) -0.474802 kcal/mol
Show buried residues

Minimal score value
-3.7755
Maximal score value
2.0257
Average score
-0.7269
Total score value
-298.0416

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 A A -0.9399
3 Q A -1.2277
4 G A 0.0000
5 T A 0.0000
6 L A 0.0000
7 Y A 0.0000
8 I A 0.0000
9 V A 0.0000
10 S A 0.0000
11 A A -0.2579
12 P A 0.0000
13 S A -0.5996
14 G A -1.2291
15 A A 0.0000
16 G A -0.6305
17 K A -0.7376
18 S A -0.8909
19 S A -0.6006
20 L A 0.0000
21 I A 0.0000
22 Q A -1.4643
23 A A -1.2076
24 L A 0.0000
25 L A -0.8822
26 K A -1.7461
27 T A -1.0970
28 Q A -0.3112
29 P A 0.5937
30 L A 1.8519
31 Y A 1.7632
32 D A 0.5656
33 T A 0.0000
34 Q A 0.5743
35 V A 0.0808
36 S A -0.0913
37 V A -0.2975
38 S A 0.0000
39 H A 0.1166
40 T A 0.0000
41 T A -0.5233
42 R A 0.0000
43 Q A -1.9006
44 P A -1.6804
45 R A -2.3015
46 P A -1.3942
47 G A -0.7760
48 E A -1.1381
49 V A 0.1284
50 H A -0.6805
51 G A -0.9294
52 E A -1.8714
53 H A -1.3824
54 Y A -0.4865
55 F A 0.3066
56 F A 0.0030
57 V A 0.0927
58 N A -0.6929
59 H A 0.0211
60 Y A 1.6838 mutated: DA60Y
61 Y A 1.9989 mutated: EA61Y
62 F A 0.0000
63 Y A 1.8065 mutated: KA63Y
64 Y A 1.7262 mutated: EA64Y
65 M A 0.0000
66 I A 0.2082
67 S A -0.7222
68 R A -2.1684
69 D A -2.4172
70 A A 0.0000
71 F A 0.0000
72 L A 0.0000
73 E A 0.0000
74 H A -0.5834
75 A A -1.0190
76 E A -1.4808
77 V A -0.0085
78 F A 1.0109
79 G A 0.0415
80 N A -0.5186
81 Y A -0.4906
82 Y A 0.0194
83 G A 0.0000
84 T A 0.0000
85 S A 0.0000
86 R A -2.4441
87 E A -2.9959
88 A A -1.9122
89 I A 0.0000
90 E A -3.1523
91 Q A -2.5258
92 V A -0.8630
93 L A 0.0000
94 A A -1.1320
95 T A -0.5787
96 G A -0.4843
97 V A 0.0000
98 D A 0.0000
99 V A 0.0000
100 F A 0.0000
101 L A 0.0000
102 D A -0.5675
103 I A -0.2307
104 D A -0.5573
105 W A -0.3991
106 Q A -0.9464
107 G A 0.0000
108 A A 0.0000
109 Q A -1.7734
110 Q A -1.8091
111 I A 0.0000
112 R A -2.2013
113 Q A -2.6117
114 K A -2.6062
115 M A -1.7116
116 P A -1.6266
117 H A -1.4547
118 A A 0.0000
119 R A -0.9704
120 S A 0.0000
121 I A 0.0000
122 F A 0.0000
123 I A 0.0000
124 L A 0.0000
125 P A 0.0000
126 P A -0.7731
127 S A -0.7221
128 K A -0.6352
129 I A 0.4669
130 E A -1.0942
131 L A 0.0000
132 D A -1.9119
133 R A -2.9853
134 R A -2.4216
135 L A 0.0000
136 R A -3.7755
137 G A -2.9584
138 R A -3.2597
139 G A -3.1355
140 Q A -2.7793
141 D A -2.6518
142 S A -2.2685
143 E A -3.3033
144 E A -3.0420
145 V A -1.9955
146 I A -2.4038
147 A A -2.1883
148 K A -2.3731
149 R A -1.6679
150 M A -1.1706
151 A A -0.8368
152 Q A -0.9067
153 A A 0.0000
154 V A 0.0245
155 A A -0.0924
156 E A 0.0000
157 M A 0.0000
158 S A -0.0686
159 H A -0.2867
160 Y A -0.2789
161 A A -0.5142
162 E A -0.8356
163 Y A 0.0000
164 D A -0.7809
165 Y A 0.0000
166 L A 0.0000
167 I A 0.0000
168 V A -0.3912
169 N A 0.0000
170 D A -2.6465
171 D A -2.6367
172 F A -1.2764
173 D A -2.0496
174 T A -1.4702
175 A A 0.0000
176 L A -0.7413
177 T A -0.6800
178 D A 0.0000
179 L A 0.0000
180 K A -0.8231
181 T A -0.8846
182 I A 0.0000
183 I A 0.0000
184 R A -1.0504
185 A A 0.0000
186 E A 0.0000
187 R A -0.9472
188 L A 0.0000
189 R A -1.1136
190 M A 0.0000
191 S A -1.4328
192 R A -2.1412
193 Q A 0.0000
194 K A -2.8144
195 Q A -3.2840
196 R A -3.3853
197 H A -2.5769
198 D A -3.3307
199 A A -1.8300
200 L A -1.4057
201 I A 0.0000
202 S A -1.3329
203 K A -1.9297
204 L A 0.0000
205 L A -0.1631
206 A A -0.3430
2 A B -1.0271
3 Q B -1.4312
4 G B 0.0000
5 T B 0.0000
6 L B 0.0000
7 Y B 0.0000
8 I B 0.0000
9 V B 0.0000
10 S B 0.0000
11 A B 0.0000
12 P B 0.0000
13 S B -0.5444
14 G B -1.0340
15 A B 0.0000
16 G B -0.5197
17 K B -0.7276
18 S B -0.8618
19 S B -0.5336
20 L B 0.0000
21 I B 0.0000
22 Q B -1.2484
23 A B -1.1562
24 L B 0.0000
25 L B -0.9029
26 K B -1.7615
27 T B -0.9389
28 Q B -0.4380
29 P B 0.3649
30 L B 1.6045
31 Y B 1.5096
32 D B 0.1256
33 T B 0.0000
34 Q B 0.2620
35 V B 0.0528
36 S B -0.1537
37 V B -0.2967
38 S B -0.0515
39 H B 0.2616
40 T B 0.0000
41 T B -0.7033
42 R B -1.0796
43 Q B -1.9874
44 P B -1.5167
45 R B -2.3030
46 P B -1.3665
47 G B -0.8411
48 E B -1.1115
49 V B 0.1884
50 H B -0.5877
51 G B -0.9159
52 E B -1.7007
53 H B -0.9886
54 Y B -0.1697
55 F B 0.3963
56 F B 0.0632
57 V B 0.0603
58 N B -0.7531
59 H B -0.1492
60 Y B 1.6358 mutated: DB60Y
61 Y B 1.8844 mutated: EB61Y
62 F B 0.0000
63 Y B 2.0257 mutated: KB63Y
64 Y B 1.4252 mutated: EB64Y
65 M B 0.0000
66 I B 0.1849
67 S B -0.6407
68 R B -2.2345
69 D B -2.4519
70 A B 0.0000
71 F B 0.0000
72 L B 0.0000
73 E B 0.0000
74 H B -0.4517
75 A B -0.6336
76 E B -1.1080
77 V B 0.3315
78 F B 1.3209
79 G B 0.0774
80 N B -0.5369
81 Y B -0.3498
82 Y B -0.0374
83 G B 0.0000
84 T B 0.0000
85 S B -1.0960
86 R B -2.1243
87 E B -2.7921
88 A B -1.7565
89 I B 0.0000
90 E B -2.9324
91 Q B -2.4103
92 V B -1.1878
93 L B 0.0000
94 A B -1.2024
95 T B -0.6850
96 G B -0.6433
97 V B 0.0000
98 D B 0.0000
99 V B 0.0000
100 F B 0.0000
101 L B 0.0000
102 D B -0.9294
103 I B 0.0000
104 D B -0.6086
105 W B -0.4708
106 Q B -0.8233
107 G B 0.0000
108 A B 0.0000
109 Q B -1.5423
110 Q B -1.5445
111 I B 0.0000
112 R B -1.9390
113 Q B -2.3497
114 K B -2.2384
115 M B -1.3991
116 P B -1.2398
117 H B -0.8786
118 A B 0.0000
119 R B -0.7735
120 S B 0.0000
121 I B 0.0000
122 F B 0.0000
123 I B 0.0000
124 L B 0.0000
125 P B 0.0000
126 P B -0.7279
127 S B -0.4908
128 K B -0.2140
129 I B 0.9796
130 E B -0.7120
131 L B 0.0000
132 D B -1.2173
133 R B -2.4770
134 R B -1.9550
135 L B 0.0000
136 R B -2.8574
137 G B -2.7131
138 R B -3.1532
139 G B -3.0216
140 Q B -2.7429
141 D B -2.4284
142 S B -1.9800
143 E B -3.1212
144 E B -2.7727
145 V B -1.2050
146 I B 0.0000
147 A B -1.8266
148 K B -2.2983
149 R B -1.5896
150 M B -0.7819
151 A B -0.7121
152 Q B -0.5407
153 A B 0.0000
154 V B 0.0378
155 A B 0.0994
156 E B 0.0000
157 M B 0.0000
158 S B -0.1788
159 H B -0.4563
160 Y B 0.0000
161 A B -0.7658
162 E B -1.1377
163 Y B 0.0000
164 D B -1.1532
165 Y B 0.0000
166 L B 0.0000
167 I B 0.0000
168 V B -0.4203
169 N B 0.0000
170 D B -2.4940
171 D B -2.3080
172 F B -0.9810
173 D B -1.9167
174 T B -1.2760
175 A B 0.0000
176 L B -0.6419
177 T B -0.5432
178 D B 0.0000
179 L B 0.0000
180 K B -0.8786
181 T B 0.0000
182 I B 0.0000
183 I B 0.0000
184 R B -1.2950
185 A B 0.0000
186 E B 0.0000
187 R B -0.9578
188 L B 0.0000
189 R B -0.9053
190 M B 0.0000
191 S B -1.2151
192 R B -1.8147
193 Q B 0.0000
194 K B -2.4982
195 Q B -3.0782
196 R B -3.2220
197 H B -2.5616
198 D B -3.2919
199 A B -1.9237
200 L B -1.2921
201 I B 0.0000
202 S B -1.2461
203 K B -1.7593
204 L B 0.0000
205 L B -0.2051
206 A B -0.5199

 

Laboratory of Theory of Biopolymers 2015