Project name: dehalogenase

Status: done

submitted: 2018-11-30 01:00:33, status changed: 2018-11-30 01:26:55
Settings
Chain sequence(s) A: AEKEKNAAEIRQQFAMMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKPWFLSAYDEKVRQIENGENGPKMKAKNVGEARRAGRALEAAGWTLDINYGNIYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIETDDELIIPNTCENVIVAGIIAMNREMMQTAPNSMACATTAFCYSRMCMMFDMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRLTKVFTNMPLVPDKPIDFGVTEFCEETCKKKCARECPSKAITEGPRTFEGRSIHNQSGKLQWQNDYNKCLGYWPEESGGYCGVCVAVCPFTKGNIWIHDGVEWLIIDNTRFLDPLMNITEVWDGKINTYGLDADHFRDTVSFRKDRVK
B: KNAAEIRQQFAMMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKPWFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNIYPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEEKPIVFKDVPLPIETDDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMWLCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRLTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGRSIHNQSGKLQWQNDYNKCLGYWPEESGGYCGVCVAVCPFTKGNIWIHDGVEWLIDNTRNITEVWDGKINTYGLDADHFRDTVSFRKDRV
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-3.8974
Maximal score value
2.2318
Average score
-0.5756
Total score value
-510.5518

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
1 A A -1.5092
2 E A -3.3480
3 K A -3.8974
4 E A -3.5281
5 K A -2.9104
6 N A -2.4746
7 A A -1.6655
8 A A -1.4919
9 E A -2.2605
10 I A 0.0000
11 R A -1.7840
12 Q A -2.1336
13 Q A -1.5219
14 F A -0.9747
15 A A -1.0782
16 M A -0.8029
17 T A -0.5212
18 A A -0.7796
19 G A -0.7870
20 S A -0.3818
21 P A 0.0944
22 I A 1.1954
23 I A 2.1634
24 V A 1.1475
25 N A -0.9529
26 D A -2.6859
27 K A -2.8541
28 L A -2.1955
29 E A -2.8439
30 R A -1.6929
31 Y A 0.0000
32 A A -0.7963
33 E A 0.0000
34 V A -0.2705
35 R A -0.0425
36 T A 0.2647
37 A A 0.4132
38 F A 0.8542
39 T A 0.3712
40 H A 0.2161
41 P A 0.1342
42 T A 0.2051
43 S A 0.0000
44 F A 1.0795
45 F A 1.5287
46 K A 0.4113
47 P A -0.5821
48 N A 0.0000
49 Y A -0.6944
50 K A -1.8651
51 G A -1.6003
52 E A -1.6540
53 V A 0.5909
54 K A 0.1017
55 P A 0.5532
56 W A 0.0000
57 F A 0.0000
58 L A 0.2348
59 S A 0.0000
60 A A 0.0000
61 Y A 0.0000
62 D A -0.7642
63 E A 0.0000
64 K A 0.0000
65 V A -0.5660
66 R A -1.0457
67 Q A 0.0000
68 I A 0.0000
69 E A -2.2513
70 N A -2.1574
71 G A 0.0000
72 E A -2.1751
73 N A 0.0000
74 G A 0.0000
75 P A -1.4707
76 K A -2.1001
77 M A -1.8679
78 K A -2.7635
79 A A -2.3697
80 K A -2.6193
81 N A -2.2614
82 V A -1.2150
83 G A 0.0000
84 E A 0.0000
85 A A 0.0000
86 R A 0.0000
87 A A 0.0000
88 G A 0.0000
89 R A 0.0000
90 A A 0.0000
91 L A 0.0000
92 E A 0.0000
93 A A 0.0000
94 A A 0.0000
95 G A 0.0000
96 W A 0.0000
97 T A 0.0000
98 L A 0.0000
99 D A 0.0000
100 I A 0.0000
101 N A -0.0734
102 Y A 0.0000
103 G A 0.0000
104 N A 0.0000
105 I A 0.1160
106 Y A 0.0000
107 P A 0.0000
108 N A 0.1494
109 R A 0.0000
110 F A 0.8931
111 F A 0.7474
112 M A 0.0000
113 L A 0.2198
114 W A 0.0000
115 S A -0.2520
116 G A 0.0000
117 E A -2.1304
118 T A -1.2434
119 M A -0.6011
120 T A -0.8178
121 N A 0.0000
122 T A -1.1003
123 Q A -1.5392
124 L A 0.0000
125 W A 0.0000
126 A A -1.0928
127 P A -0.3375
128 V A 0.0000
129 G A -1.2705
130 L A 0.0000
131 D A -2.4383
132 R A -2.6594
133 R A -1.8301
134 P A -1.2552
135 P A -0.9291
136 D A -0.9693
137 T A -0.7847
138 T A -0.8556
139 D A -1.2634
140 P A -0.4549
141 V A -0.2691
142 E A -0.7241
143 L A 0.0000
144 T A 0.0000
145 N A 0.0000
146 Y A 0.0000
147 V A 0.0000
148 K A 0.0000
149 F A 0.0000
150 A A 0.0000
151 A A 0.0000
152 R A 0.0000
153 M A 0.0000
154 A A 0.0000
155 G A 0.0000
156 A A 0.0000
157 D A 0.0000
158 L A 0.0000
159 V A 0.2596
160 G A 0.0000
161 V A 0.0000
162 A A 0.0000
163 R A -1.7516
164 L A -1.3076
165 N A -1.3839
166 R A -1.8395
167 N A -1.5274
168 W A 0.0000
169 V A 0.0000
170 Y A 0.0000
171 S A -1.0323
172 E A -1.0424
173 A A 0.0000
174 V A 0.0000
175 T A 0.0000
176 I A 0.0000
177 P A -1.1719
178 A A -1.1412
179 D A -1.7131
180 V A -1.4884
181 P A -1.2735
182 Y A -1.2917
183 E A -2.3882
184 Q A -2.0120
185 S A 0.0000
186 L A -0.8082
187 H A -1.7070
188 K A -1.7431
189 E A -1.3203
190 I A -0.6238
191 E A -1.8617
192 K A 0.0000
193 P A -1.1014
194 I A 0.0000
195 V A -0.1140
196 F A -0.7136
197 K A -1.6004
198 D A -2.1646
199 V A -0.5383
200 P A -0.0410
201 L A 0.8560
202 P A 0.0000
203 I A 1.0052
204 E A -0.6991
205 T A -1.6081
206 D A -2.8825
207 D A -3.1490
208 E A -1.9223
209 L A 0.0000
210 I A 0.0000
211 I A 0.0000
212 P A 0.0000
213 N A -1.6688
214 T A -1.1695
215 C A 0.0000
216 E A -1.8992
217 N A 0.0000
218 V A 0.0000
219 I A 0.0000
220 V A 0.0000
221 A A 0.0000
222 G A 0.0000
223 I A 0.0000
224 A A 0.0000
225 M A 0.0000
226 N A 0.0000
227 R A -1.0612
228 E A -1.5734
229 M A 0.0000
230 M A 0.0000
231 Q A -1.3391
232 T A -0.8793
233 A A -0.3496
234 P A -0.1469
235 N A -0.5601
236 S A 0.0000
237 M A 0.0000
238 A A 0.0000
239 C A 0.0000
240 A A 0.0000
241 T A 0.0000
242 T A -0.0912
243 A A 0.0000
244 F A 0.0000
245 C A 0.0000
246 Y A 0.0000
247 S A 0.0000
248 R A 0.0000
249 M A 0.0000
250 C A 0.0000
251 M A 0.0000
252 F A 0.0000
253 D A 0.0000
254 M A 0.0000
255 W A 0.0000
256 L A 0.0000
257 C A 0.0000
258 Q A 0.0000
259 F A 0.0000
260 I A 0.0000
261 R A 0.0000
262 Y A 0.0000
263 M A 0.0000
264 G A -1.1518
265 Y A -0.3956
266 Y A 0.0000
267 A A 0.0000
268 I A 0.0000
269 P A 0.0000
270 S A 0.0000
271 C A 0.0000
272 N A -0.4172
273 G A 0.0000
274 V A 0.0000
275 G A 0.0000
276 Q A -0.1696
277 S A 0.0166
278 V A 0.4090
279 A A 0.0000
280 F A 0.0000
281 A A 0.0000
282 V A 0.0000
283 E A 0.0000
284 A A 0.0000
285 G A 0.0000
286 L A 0.0000
287 G A 0.0000
288 Q A -0.2767
289 A A -0.0752
290 S A 0.0000
291 R A 0.0000
292 M A 0.0000
293 G A -0.0948
294 A A 0.0307
295 C A 0.0000
296 I A 0.0000
297 T A 0.0000
298 P A 0.0000
299 E A -0.4369
300 F A -0.1167
301 G A 0.0000
302 P A 0.0000
303 N A 0.0000
304 V A 0.0000
305 R A -0.4396
306 L A 0.0000
307 T A 0.0000
308 K A 0.0000
309 V A 0.0000
310 F A 0.0000
311 T A 0.0000
312 N A -0.7223
313 M A 0.0000
314 P A -0.5293
315 L A 0.0000
316 V A -0.2747
317 P A -0.6701
318 D A -1.4484
319 K A -2.1413
320 P A 0.0000
321 I A 0.0000
322 D A -1.2356
323 F A 0.0000
324 G A -0.8229
325 V A 0.0000
326 T A -1.5811
327 E A -2.3636
328 F A -1.4287
329 C A 0.0000
330 E A -2.8491
331 T A -1.5786
332 C A -1.4712
333 K A -2.1773
334 K A -1.8652
335 C A 0.0000
336 A A 0.0000
337 R A -2.9219
338 E A -2.5610
339 C A -1.6492
340 P A -1.2824
341 S A -1.5047
342 K A -2.6188
343 A A 0.0000
344 I A 0.0000
345 T A -1.7321
346 E A -2.8264
347 G A -1.5402
348 P A -1.2736
349 R A -1.2486
350 T A -0.8425
351 F A -0.7570
352 E A -2.2283
353 G A -1.3433
354 R A -1.3869
355 S A -0.5219
356 I A 0.5448
357 H A 0.0000
358 N A 0.0000
359 Q A 0.0000
360 S A -1.4673
361 G A 0.0000
362 K A 0.0000
363 L A 0.6053
364 Q A -0.1478
365 W A 0.0000
366 Q A 0.0000
367 N A 0.0000
368 D A -0.8510
369 Y A -0.2726
370 N A -0.5393
371 K A -1.4935
372 C A -0.6067
373 L A 0.0000
374 G A -0.5684
375 Y A -0.8973
376 W A -0.4829
377 P A 0.0000
378 E A -1.6227
379 S A 0.0000
380 G A 0.0000
381 G A 0.0000
382 Y A 0.0000
383 C A -0.0770
384 G A -0.0410
385 V A 0.0000
386 C A -0.4917
387 V A 0.0000
388 A A 0.0000
389 V A -0.4831
390 C A 0.0000
391 P A 0.0000
392 F A 0.0000
393 T A 0.0000
394 K A -1.5346
395 G A -1.4474
396 N A -1.5925
397 I A 0.0000
398 W A -0.0165
399 I A -0.6972
400 H A -1.8415
401 D A -2.1308
402 G A -1.3778
403 V A 0.1703
404 E A -1.4564
405 W A 0.0000
406 L A 0.1413
407 I A 0.0614
408 D A -0.7454
409 N A -1.2973
410 T A -0.5558
411 R A -1.0273
412 F A -0.4112
413 L A 0.0077
414 D A -0.9758
415 P A -0.1722
416 L A 1.4090
417 M A 1.4796
431 N A -2.1958
432 I A 0.0000
433 T A -1.9042
434 E A -2.5782
435 V A -1.5746
436 W A 0.0000
437 D A -1.6312
438 G A -1.2951
439 K A -0.8089
440 I A 0.0000
441 N A 0.0000
442 T A 0.0000
443 Y A 0.0000
444 G A 0.0000
445 L A 0.0000
446 D A -1.6198
447 A A -2.3321
448 D A -2.7187
449 H A -2.1093
450 F A 0.0000
451 R A -2.7659
452 D A -1.6179
453 T A 0.0000
454 V A -0.5713
455 S A 0.0000
456 F A -0.3036
457 R A -1.7842
458 K A -2.4344
459 D A -1.9224
460 R A 0.0000
461 V A 0.0000
462 K A -2.2245
5 K B -2.5942
6 N B -2.3398
7 A B -1.8868
8 A B -1.9908
9 E B -2.8034
10 I B 0.0000
11 R B -1.9922
12 Q B -2.3084
13 Q B -1.6309
14 F B -0.9695
15 A B -1.1065
16 M B -0.8086
17 T B -0.5030
18 A B -0.7841
19 G B -0.7786
20 S B -0.3513
21 P B 0.3556
22 I B 1.1974
23 I B 2.2318
24 V B 1.1183
25 N B -1.0529
26 D B -2.8547
27 K B -3.0728
28 L B -2.3061
29 E B -2.9955
30 R B -1.8413
31 Y B 0.0000
32 A B -0.8666
33 E B 0.0000
34 V B -0.3415
35 R B -0.0806
36 T B 0.3009
37 A B 0.0000
38 F B 1.1566
39 T B 0.5010
40 H B 0.3253
41 P B 0.2449
42 T B 0.2973
43 S B 0.0000
44 F B 1.2485
45 F B 1.9596
46 K B 0.5588
47 P B -0.6055
48 N B -1.0696
49 Y B -0.8910
50 K B -1.9787
51 G B -1.7284
52 E B -1.7512
53 V B 0.4383
54 K B 0.2353
55 P B 0.9950
56 W B 0.0000
57 F B 0.6285
58 L B 0.4217
59 S B 0.0000
60 A B 0.0000
61 Y B 0.0000
62 D B -0.6240
63 E B 0.0000
64 K B 0.0000
65 V B -0.4582
66 R B -0.9849
67 Q B 0.0000
68 I B 0.0000
69 E B -2.2905
70 N B -2.1522
71 G B 0.0000
72 E B -2.2206
73 N B 0.0000
74 G B 0.0000
75 P B -1.4825
76 K B -2.1221
77 M B -1.9021
78 K B -2.8034
79 A B 0.0000
80 K B -2.6709
81 N B -2.3377
82 V B -1.2389
83 G B 0.0000
84 E B 0.0000
85 A B 0.0000
86 R B 0.0000
87 A B 0.0000
88 G B 0.0000
89 R B 0.0000
90 A B 0.0000
91 L B 0.0000
92 E B 0.0000
93 A B 0.0000
94 A B 0.0000
95 G B 0.0000
96 W B 0.0000
97 T B 0.0000
98 L B 0.0000
99 D B 0.0000
100 I B 0.0000
101 N B -0.0422
102 Y B 0.1612
103 G B 0.0000
104 N B 0.0000
105 I B 0.1202
106 Y B 0.0000
107 P B 0.0000
108 N B 0.1295
109 R B 0.0000
110 F B 0.8480
111 F B 0.7563
112 M B 0.0000
113 L B 0.1971
114 W B 0.0000
115 S B -0.2954
116 G B 0.0000
117 E B -2.0601
118 T B -1.2381
119 M B -0.5828
120 T B -0.8162
121 N B 0.0000
122 T B 0.0000
123 Q B -1.5712
124 L B 0.0000
125 W B 0.0000
126 A B -1.0126
127 P B -0.3793
128 V B 0.0000
129 G B -1.1124
130 L B 0.0000
131 D B -1.9528
132 R B -2.4157
133 R B -1.6772
134 P B -1.1830
135 P B -0.8793
136 D B -0.8015
137 T B -0.7634
138 T B -0.8243
139 D B -1.1809
140 P B -0.2199
141 V B 0.4855
142 E B -0.4036
143 L B 0.0000
144 T B 0.0000
145 N B 0.0000
146 Y B 0.0000
147 V B 0.0000
148 K B 0.0000
149 F B 0.0000
150 A B 0.0000
151 A B 0.0000
152 R B 0.0000
153 M B 0.0000
154 A B 0.0000
155 G B 0.0000
156 A B 0.0000
157 D B 0.0000
158 L B 0.0000
159 V B 0.2568
160 G B 0.0000
161 V B 0.0000
162 A B 0.0000
163 R B -1.8746
164 L B -1.5445
165 N B -1.7918
166 R B -2.6539
167 N B -1.9178
168 W B 0.0000
169 V B 0.0000
170 Y B 0.0000
171 S B -1.2194
172 E B -1.2069
173 A B 0.0000
174 V B 0.0000
175 T B 0.0000
176 I B 0.0000
177 P B -1.2586
178 A B -1.1351
179 D B -1.8129
180 V B 0.0000
181 P B -1.4277
182 Y B -1.4727
183 E B -2.5362
184 Q B -2.3137
185 S B 0.0000
186 L B -1.0931
187 H B -1.9276
188 K B -2.0545
189 E B -1.6756
190 I B -0.8089
191 E B -1.9570
192 K B 0.0000
193 P B -1.1850
194 I B 0.0000
195 V B -0.4025
196 F B -1.1599
197 K B -2.1263
198 D B -2.5194
199 V B -0.8404
200 P B -0.2803
201 L B 0.5350
202 P B 0.0000
203 I B 0.9427
204 E B -0.7233
205 T B -1.6163
206 D B -2.8917
207 D B -3.1576
208 E B -1.9604
209 L B 0.0000
210 I B 0.0000
211 I B 0.0000
212 P B 0.0000
213 N B -2.2771
214 T B -1.4816
215 C B 0.0000
216 E B -2.1003
217 N B 0.0000
218 V B 0.0000
219 I B 0.0000
220 V B 0.0000
221 A B 0.0000
222 G B 0.0000
223 I B 0.0000
224 A B 0.0000
225 M B 0.0000
226 N B 0.0000
227 R B -1.2698
228 E B -1.9187
229 M B 0.0000
230 M B 0.0000
231 Q B -1.7812
232 T B -1.0918
233 A B -0.4296
234 P B -0.1352
235 N B -0.5901
236 S B 0.0000
237 M B 0.0000
238 A B 0.0000
239 C B 0.0000
240 A B 0.0000
241 T B 0.0000
242 T B -0.0568
243 A B 0.0000
244 F B 0.0000
245 C B 0.0000
246 Y B 0.0000
247 S B 0.0000
248 R B 0.0000
249 M B 0.0000
250 C B 0.0000
251 M B 0.0000
252 F B 0.0000
253 D B 0.0000
254 M B 0.0000
255 W B 0.0000
256 L B 0.0000
257 C B 0.0000
258 Q B 0.0000
259 F B 0.0000
260 I B 0.0000
261 R B 0.0000
262 Y B 0.0000
263 M B 0.0000
264 G B -1.0115
265 Y B -0.3415
266 Y B 0.0000
267 A B 0.0000
268 I B 0.0000
269 P B 0.0000
270 S B 0.0000
271 C B 0.0000
272 N B -0.3918
273 G B 0.0000
274 V B 0.0000
275 G B 0.0000
276 Q B -0.1385
277 S B 0.0745
278 V B 0.4822
279 A B 0.0000
280 F B 0.0000
281 A B 0.0000
282 V B 0.0000
283 E B 0.0000
284 A B 0.0000
285 G B 0.0000
286 L B 0.0000
287 G B 0.0000
288 Q B 0.0000
289 A B 0.0840
290 S B 0.0000
291 R B 0.0000
292 M B 0.0000
293 G B -0.0827
294 A B 0.0666
295 C B 0.0000
296 I B 0.0000
297 T B 0.0000
298 P B 0.0000
299 E B -0.5147
300 F B -0.3446
301 G B 0.0000
302 P B 0.0000
303 N B 0.0000
304 V B 0.0000
305 R B -0.3118
306 L B -0.0047
307 T B 0.0000
308 K B 0.0000
309 V B 0.0000
310 F B 0.0000
311 T B 0.0000
312 N B -0.8053
313 M B 0.0000
314 P B -0.4807
315 L B 0.0000
316 V B 0.2226
317 P B -0.5746
318 D B -1.2032
319 K B -2.1885
320 P B 0.0000
321 I B 0.0000
322 D B -1.0575
323 F B 0.0000
324 G B -0.7676
325 V B 0.0000
326 T B -1.5419
327 E B -2.3940
328 F B -1.5030
329 C B 0.0000
330 E B -2.8420
331 T B -1.6295
332 C B -1.4374
333 K B -2.2772
334 K B -2.0084
335 C B 0.0000
336 A B 0.0000
337 R B -3.5121
338 E B -2.8751
339 C B -1.7927
340 P B -1.3517
341 S B -1.6529
342 K B -2.8131
343 A B 0.0000
344 I B 0.0000
345 T B 0.0000
346 E B -2.9139
347 G B -1.5081
348 P B -1.2415
349 R B -1.1578
350 T B -0.7944
351 F B -0.4394
352 E B -2.2733
353 G B -1.6667
354 R B -2.1776
355 S B -0.9500
356 I B 0.3220
357 H B 0.0000
358 N B 0.0000
359 Q B 0.0000
360 S B -1.3413
361 G B 0.0000
362 K B 0.0462
363 L B 0.6812
364 Q B -0.0862
365 W B 0.0000
366 Q B 0.0000
367 N B 0.0000
368 D B -1.4369
369 Y B -0.6282
370 N B -0.7326
371 K B -1.8247
372 C B -0.7659
373 L B 0.0000
374 G B -0.6183
375 Y B -0.9089
376 W B -0.4388
377 P B 0.0000
378 E B -1.6630
379 S B 0.0000
380 G B 0.0000
381 G B 0.0000
382 Y B 0.2675
383 C B 0.0482
384 G B 0.0054
385 V B -0.2490
386 C B -0.5085
387 V B 0.0000
388 A B 0.0000
389 V B -0.6444
390 C B 0.0000
391 P B 0.0000
392 F B 0.0000
393 T B 0.0000
394 K B -1.8580
395 G B -1.5211
396 N B -1.9383
397 I B 0.0000
398 W B 0.0000
399 I B -0.5643
400 H B -1.2925
401 D B -1.8187
402 G B -0.9253
403 V B 0.2241
404 E B -1.4153
405 W B 0.0000
406 L B 0.1277
407 I B -0.1431
408 D B -1.0236
409 N B -1.6632
410 T B -1.5163
411 R B -2.3969
431 N B -2.2537
432 I B 0.0000
433 T B -1.9198
434 E B -2.6301
435 V B -1.6586
436 W B 0.0000
437 D B -1.6194
438 G B -1.3104
439 K B -0.8627
440 I B 0.0000
441 N B 0.0000
442 T B 0.0000
443 Y B 0.0000
444 G B 0.0000
445 L B 0.0000
446 D B -1.4940
447 A B -2.1513
448 D B -2.1417
449 H B -1.9921
450 F B 0.0000
451 R B -2.9326
452 D B -1.7834
453 T B 0.0000
454 V B -0.8865
455 S B 0.0000
456 F B -0.6535
457 R B -1.5626
458 K B -2.0221
459 D B -1.8680
460 R B 0.0000
461 V B 0.2557

 

Laboratory of Theory of Biopolymers 2015