Project name: 1D3A halophile malate-dehydrogenase

Status: done

submitted: 2019-02-14 14:47:51, status changed: 2019-02-14 15:02:38
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Chain sequence(s) A: TKVSVVGAAGTVGAAAGYNIALRDIADEVVFVDIPDKEDDTVGQAADTNHGIAYDSNTRVRQGGYEDTAGSDVVVITAGIPRQPGQTRIDLAGDNAPIMEDIQSSLDEHNDDYISLTTSNPVDLLNRHLYEAGDRSREQVIGFGGRLDSARFRYVLSEEFDAPVQNVEGTILGEHGDAQVPVFSKVRVDGTDPEFSGDEKEQLLGDLQESAMDVIERKGATEWGPARGVAHMVEAILHDTGEVLPASVKLEGEFGHEDTAFGVPVRLGSNGVEEIVEWDLDDYEQDLMADAAEKLSDQYDKIS
B: TKVSVVGAAGTVGAAAGYNIALRDIADEVVFVDIPDKEDDTVGQAADTNHGIAYDSNTRVRQGGYEDTAGSDVVVITAGIPRQPGQTRIDLAGDNAPIMEDIQSSLDEHNDDYISLTTSNPVDLLNRHLYEAGDRSREQVIGFGGRLDSARFRYVLSEEFDAPVQNVEGTILGEHGDAQVPVFSKVRVDGTDPEFSGDEKEQLLGDLQESAMDVIERKGATEWGPARGVAHMVEAILHDTGEVLPASVKLEGEFGHEDTAFGVPVRLGSNGVEEIVEWDLDDYEQDLMADAAEKLSDQYDKIS
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.2758
Maximal score value
0.2773
Average score
-1.1245
Total score value
-681.4658

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
22 T A -1.1179
23 K A -1.4797
24 V A 0.0000
25 S A 0.0000
26 V A 0.0000
27 V A 0.0000
28 G A 0.0000
29A A A 0.0000
29B A A -0.8450
30 G A -0.4717
31 T A -0.1120
32 V A 0.0847
33 G A 0.0000
34 A A 0.0000
35 A A 0.0000
36 A A 0.0000
37 G A 0.0000
38 Y A 0.0000
39 N A 0.0000
40 I A 0.0000
41 A A 0.0000
42 L A -0.8790
43 R A -1.7680
44 D A -2.2915
45 I A 0.0000
46 A A 0.0000
47 D A -2.8554
48 E A -2.3468
49 V A 0.0000
50 V A 0.0000
51 F A 0.0000
52 V A 0.0000
53 D A -0.7500
54A I A -0.1274
54B P A -1.5647
54C D A -2.6924
55 K A -2.9171
56 E A -3.6480
57 D A -3.9601
58 D A -3.2989
59 T A 0.0000
60 V A -1.8493
61 G A 0.0000
62 Q A -1.2378
63 A A 0.0000
64 A A 0.0000
65 D A 0.0000
66 T A 0.0000
67 N A 0.0000
68 H A 0.0000
69 G A 0.0000
70 I A 0.0000
71 A A 0.0000
72 Y A -0.6429
73 D A -1.1227
74 S A 0.0000
75 N A -2.3430
76 T A 0.0000
77 R A -3.0554
78 V A 0.0000
79 R A -1.5529
80 Q A -1.5407
81 G A -1.3093
84 G A -1.0105
85 Y A -1.4170
86 E A -2.3869
87 D A -1.6057
88 T A 0.0000
89 A A -1.9602
90 G A -1.6670
91 S A 0.0000
92 D A -1.5606
93 V A 0.0000
94 V A 0.0000
95 V A 0.0000
96 I A 0.0000
97 T A -0.2871
98 A A 0.0594
99 G A -0.4675
100 I A -0.1537
101 P A -1.3775
102 R A -3.1491
103 Q A -2.5222
105 P A -1.5824
106 G A -1.3459
107 Q A -1.8393
108 T A -1.5073
109 R A -1.9417
110 I A -1.2082
111 D A -2.5011
112 L A 0.0000
113 A A 0.0000
114 G A -1.5934
115 D A -1.9640
116 N A 0.0000
117 A A 0.0000
118 P A -1.0797
119 I A -0.7775
120 M A 0.0000
121 E A -1.8408
122 D A -2.3779
123 I A 0.0000
124 Q A 0.0000
125 S A -2.2049
126 S A -2.1214
127 L A 0.0000
128 D A -4.0344
129 E A -3.4888
130 H A -2.9963
131 N A 0.0000
132A D A -3.6640
132B D A -3.4885
133 Y A 0.0000
134 I A 0.0000
135 S A 0.0000
136 L A 0.0000
137 T A 0.0000
138 T A -0.3241
139 S A 0.0000
140 N A -1.5429
141 P A 0.0000
142 V A 0.0000
143 D A 0.0000
144 L A 0.0000
145 L A 0.0000
146 N A 0.0000
147 R A 0.0000
148 H A -0.5697
149 L A 0.0000
150 Y A -1.1174
151 E A -1.6058
152 A A -1.1611
153 G A -1.8133
154 D A -2.5709
155 R A -2.2384
156 S A -1.3435
157 R A -1.3127
158 E A -1.6068
159 Q A -1.1934
160 V A 0.0000
161 I A 0.0000
162 G A 0.0000
163 F A 0.0000
164 G A 0.0000
165 G A -0.1487
166 R A 0.0000
167 L A 0.0000
168 D A 0.0000
169 S A 0.0000
170 A A 0.0000
171 R A -0.4836
172 F A 0.0000
173 R A -1.2382
174 Y A -1.0247
175 V A 0.0000
176 L A 0.0000
177 S A 0.0000
178 E A -3.3463
179 E A -3.1139
180 F A -1.8530
181 D A -2.6852
182 A A -2.1801
183 P A -1.8481
184 V A 0.0000
185 Q A -2.4125
186 N A -2.9540
187 V A 0.0000
188 E A -3.1321
189 G A 0.0000
190 T A -0.5220
191 I A 0.0000
192 L A 0.0000
193 G A 0.0000
194 E A 0.0000
195 H A -0.8153
196 G A -1.3260
197 D A -1.9368
198 A A -1.6436
199 Q A -0.9289
200 V A 0.0000
201 P A 0.0000
202 V A 0.0000
203 F A 0.0000
204 S A -1.8229
205 K A -2.1622
206 V A 0.0000
207 R A -3.7808
208 V A 0.0000
209 D A -3.2690
210A G A -2.5791
210B T A -2.5206
211 D A -3.4563
212 P A -2.3904
219 E A -2.6804
220 F A -2.0286
221 S A -2.1442
222 G A -2.6675
223 D A -3.7240
224 E A -3.6301
225 K A -3.0561
226 E A -3.8635
227 Q A -3.5997
228 L A 0.0000
229 L A -2.0835
230 G A -2.6125
231 D A -3.2801
232 L A 0.0000
233 Q A -2.3110
234 E A -2.5359
235 S A 0.0000
236 A A 0.0000
237 M A -1.0988
238 D A -1.6813
239 V A 0.0000
240 I A -0.0922
241 E A -2.1938
242 R A -3.0655
243 K A -2.1997
244 G A -1.4238
245 A A -0.3521
246 T A -0.0643
247 E A -0.1756
248 W A 0.0000
249 G A 0.0000
250 P A 0.0000
251 A A 0.0000
252 R A 0.0000
253 G A 0.0000
254 V A 0.0000
255 A A 0.0000
256 H A -0.3870
257 M A 0.0000
258 V A 0.0000
259 E A -1.1099
260 A A 0.0000
261 I A 0.0000
262 L A -1.2653
263 H A -1.8980
264 D A -2.9175
265 T A -1.6699
266 G A -1.7958
267 E A -1.2224
268 V A -0.3584
269 L A 0.0000
270 P A 0.0000
271 A A 0.0000
272 S A 0.0000
273 V A 0.0000
274 K A -1.5793
275 L A 0.0000
276 E A -3.2585
277 G A -2.3902
278 E A -1.6981
279 F A -1.3606
280 G A -1.2669
282 H A -2.3814
283 E A -3.9372
284 D A -3.6388
285 T A 0.0000
286 A A 0.0000
287 F A 0.0000
288 G A 0.0000
289 V A 0.0000
290 P A 0.0000
291 V A 0.0000
292 R A -2.0140
293 L A 0.0000
294 G A 0.0000
295 S A -1.9578
296 N A -2.3748
297 G A 0.0000
298 V A 0.0000
299 E A -2.6118
301 E A -2.6731
302 I A 0.0000
303 V A -1.2660
304 E A -2.0901
305 W A -1.5633
306 D A -2.7138
307 L A -2.4683
308 D A -3.2192
309 D A -3.0422
310 Y A -1.1517
311 E A 0.0000
312 Q A -2.6260
313 D A -2.6830
314 L A -1.2355
315 M A 0.0000
316 A A -2.1176
317 D A -3.0075
318 A A 0.0000
319 A A 0.0000
320 E A -3.8365
321 K A -2.9069
322 L A 0.0000
323 S A -3.4268
324 D A -3.8053
325 Q A -2.6248
326 Y A -2.4752
327 D A -3.2113
328 K A -3.0808
329 I A -1.8893
330 S A -1.3888
22 T B -1.1421
23 K B -1.3436
24 V B 0.0000
25 S B 0.0000
26 V B 0.0000
27 V B 0.0000
28 G B 0.0000
29A A B 0.0000
29B A B -0.8200
30 G B -0.4188
31 T B -0.0911
32 V B 0.0821
33 G B 0.0000
34 A B 0.0000
35 A B 0.0000
36 A B 0.0000
37 G B 0.0000
38 Y B 0.0000
39 N B 0.0000
40 I B 0.0000
41 A B 0.0000
42 L B -0.9934
43 R B -1.8709
44 D B -2.3270
45 I B 0.0000
46 A B 0.0000
47 D B -2.4966
48 E B -1.8345
49 V B 0.0000
50 V B 0.0000
51 F B 0.0000
52 V B 0.0000
53 D B -0.6197
54A I B 0.2773
54B P B -1.4453
54C D B -2.5985
55 K B -2.8948
56 E B -3.7758
57 D B -4.2758
58 D B -3.5125
59 T B 0.0000
60 V B 0.0000
61 G B 0.0000
62 Q B 0.0000
63 A B 0.0000
64 A B 0.0000
65 D B 0.0000
66 T B 0.0000
67 N B 0.0000
68 H B 0.0000
69 G B 0.0000
70 I B 0.0000
71 A B 0.0000
72 Y B -0.8496
73 D B -1.3679
74 S B 0.0000
75 N B -2.1177
76 T B 0.0000
77 R B -1.6571
78 V B 0.0000
79 R B -1.1801
80 Q B -1.7320
81 G B -1.4930
84 G B -1.1910
85 Y B -1.3588
86 E B -2.4532
87 D B -1.7357
88 T B 0.0000
89 A B -1.8784
90 G B -1.6964
91 S B 0.0000
92 D B -1.6860
93 V B 0.0000
94 V B 0.0000
95 V B 0.0000
96 I B 0.0000
97 T B -0.2074
98 A B 0.1223
99 G B -0.5296
100 I B -0.3810
101 P B -1.4541
102 R B -3.2382
103 Q B -2.6703
105 P B -1.6679
106 G B -1.6445
107 Q B -2.1849
108 T B -1.7773
109 R B -1.9179
110 I B -1.5311
111 D B -3.0048
112 L B 0.0000
113 A B 0.0000
114 G B -1.7540
115 D B -2.0639
116 N B 0.0000
117 A B 0.0000
118 P B -1.1809
119 I B -0.8753
120 M B 0.0000
121 E B -1.9423
122 D B -2.3902
123 I B 0.0000
124 Q B 0.0000
125 S B -1.9151
126 S B -1.8372
127 L B 0.0000
128 D B -3.0263
129 E B -2.9791
130 H B -2.6506
131 N B 0.0000
132A D B -3.5600
132B D B -3.1264
133 Y B 0.0000
134 I B 0.0000
135 S B 0.0000
136 L B 0.0000
137 T B 0.0000
138 T B -0.1806
139 S B 0.0000
140 N B -0.9963
141 P B 0.0000
142 V B 0.0000
143 D B 0.0000
144 L B 0.0000
145 L B 0.0000
146 N B 0.0000
147 R B 0.0000
148 H B 0.0000
149 L B 0.0000
150 Y B -1.2952
151 E B -1.8205
152 A B -1.3242
153 G B -1.7462
154 D B -2.4090
155 R B 0.0000
156 S B -1.4629
157 R B -1.6071
158 E B -2.1344
159 Q B -1.4079
160 V B 0.0000
161 I B 0.0000
162 G B 0.0000
163 F B 0.0000
164 G B 0.0000
165 G B -0.1911
166 R B 0.0000
167 L B 0.0000
168 D B -0.2808
169 S B 0.0000
170 A B 0.0000
171 R B 0.0000
172 F B 0.0000
173 R B -1.0758
174 Y B -0.9426
175 V B 0.0000
176 L B 0.0000
177 S B 0.0000
178 E B -3.0491
179 E B -2.9104
180 F B -1.6565
181 D B -2.5048
182 A B -1.9857
183 P B -1.8453
184 V B -1.8874
185 Q B -2.0902
186 N B -2.5880
187 V B 0.0000
188 E B -2.6841
189 G B 0.0000
190 T B -0.5777
191 I B 0.0000
192 L B 0.0000
193 G B 0.0000
194 E B 0.0000
195 H B -0.7678
196 G B -1.2030
197 D B -1.9388
198 A B -1.6823
199 Q B -0.9874
200 V B 0.0000
201 P B 0.0000
202 V B 0.0000
203 F B 0.0000
204 S B -2.1451
205 K B -2.9150
206 V B 0.0000
207 R B -3.6692
208 V B 0.0000
209 D B -3.0832
210A G B -2.4496
210B T B -2.4328
211 D B -3.5178
212 P B -2.2901
219 E B -2.7358
220 F B -1.9890
221 S B -1.9961
222 G B -2.6155
223 D B -3.6225
224 E B -3.4412
225 K B -2.9391
226 E B -3.8292
227 Q B -3.6065
228 L B 0.0000
229 L B -2.1849
230 G B -2.8304
231 D B -3.5819
232 L B 0.0000
233 Q B -2.5563
234 E B -2.8565
235 S B -1.5761
236 A B -1.4257
237 M B -1.5965
238 D B -1.9901
239 V B 0.0000
240 I B -0.9514
241 E B -2.6437
242 R B -3.3216
243 K B -2.4107
244 G B -1.7279
245 A B -0.6625
246 T B -0.2859
247 E B -0.2570
248 W B 0.0000
249 G B 0.0000
250 P B 0.0000
251 A B 0.0000
252 R B 0.0000
253 G B 0.0000
254 V B 0.0000
255 A B 0.0000
256 H B -0.3586
257 M B 0.0000
258 V B 0.0000
259 E B -1.1997
260 A B 0.0000
261 I B 0.0000
262 L B -1.2509
263 H B -1.8603
264 D B -2.9365
265 T B -1.6911
266 G B -1.8941
267 E B -1.3721
268 V B -0.5206
269 L B 0.0000
270 P B 0.0000
271 A B 0.0000
272 S B 0.0000
273 V B 0.0000
274 K B -1.7263
275 L B 0.0000
276 E B -3.2377
277 G B -2.3419
278 E B -1.5984
279 F B -1.3367
280 G B -1.3332
282 H B -2.3762
283 E B -3.9352
284 D B -3.6458
285 T B 0.0000
286 A B 0.0000
287 F B 0.0000
288 G B 0.0000
289 V B 0.0000
290 P B 0.0000
291 V B 0.0000
292 R B -2.2249
293 L B 0.0000
294 G B 0.0000
295 S B -1.9623
296 N B -2.4358
297 G B 0.0000
298 V B 0.0000
299 E B -2.9430
301 E B -2.9026
302 I B -1.4563
303 V B -1.2309
304 E B -2.0427
305 W B -1.6211
306 D B -2.8104
307 L B 0.0000
308 D B -2.7844
309 D B -2.9430
310 Y B -1.2364
311 E B 0.0000
312 Q B -3.0930
313 D B -2.9380
314 L B -1.4753
315 M B 0.0000
316 A B -2.3061
317 D B -3.1107
318 A B 0.0000
319 A B 0.0000
320 E B -3.8881
321 K B -3.0334
322 L B 0.0000
323 S B -3.2959
324 D B -3.9442
325 Q B -2.8431
326 Y B 0.0000
327 D B -3.3107
328 K B -3.2185
329 I B -2.0215
330 S B -1.6293

 

Laboratory of Theory of Biopolymers 2015