Project name: badtau2chains1ihgdockscoreout

Status: done

submitted: 2019-02-23 16:15:26, status changed: 2019-02-23 16:45:30
Settings
Chain sequence(s) A: MAEPRQEFEVMEDHAGTYGLGDRKDQGGYTMHQDQEGDTDAGLKESPLQTPTEDGSEEPGSETSDAKSTPTAEDVTAPLVDEGAPGKQAAAQPHTEIPEGTTAEEAGIGDTPSLEDEAAGHVTQARMVSKSKDGTGSDDKKAKGADGKTKIATPRGAAPPGQKGQANATRIPAKTPPAPKTPPSSGEPPKSGDRSGYSSPGSPGTPGSRSRTPSLPTPPTREPKKVAVVRTPPKSPSSAKSRLQTAPVPMPDLKNVKSKIGSTENLKHQPGGGKVQIINKKLDLSNVQSKCGSKDNIKHVPGGGSVQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTFRENAKAKTDHGAEIVYKSPVVSGDTSPRHLSNVSSTGSIDMVDSPQLATLADEVSASLAKQGL
B: SHPSPQAKPSNPSNPRVFFDVDIGGERVGRIVLELFADIVPKTAENFRALCTGEKGIGPTTGKPLHFKGCPFHRIIKKFMIQGGDFSNQNGTGGESIYGEKFEDENFHYKHDKEGLLSMANAGSNTNGSQFFITTVPTPHLDGKHVVFGQVIKGMGVAKILENVEVKGEKPAKLCVIAECGELKEGDDWGIFPKDGSGDSHPDFPEDADVDLKDVDKILLISEDLKNIGNTFFKSQNWEMAIKKYTKVLRYVEGSRAAAEDADGAKLQPVALSCVLNIGACKLKMSDWQGAVDSCLEALEIDPSNTKALYRRAQGWQGLKEYDQALADLKKAQEIAPEDKAIQAELLKVKQKIKAQKDKEKAAY
Distance of aggregation 10 Å
Dynamic mode No
Show buried residues

Minimal score value
-4.5865
Maximal score value
2.0589
Average score
-1.3003
Total score value
-1046.7737

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 M A -1.6447
2 A A -2.0584
3 E A -2.7977
4 P A -2.1635
5 R A -2.9569
6 Q A -2.8707
7 E A -2.8560
8 F A -1.2707
9 E A -2.5535
10 V A -1.2492
11 M A -0.7751
12 E A -2.7196
13 D A -3.0765
14 H A -2.1023
15 A A 0.0000
16 G A -1.3167
17 T A -0.9374
18 Y A -0.9186
19 G A -0.6024
20 L A 0.1631
21 G A -1.6832
22 D A -3.2248
23 R A -3.7209
24 K A -3.8278
25 D A -3.0466
26 Q A -2.2844
27 G A -1.9879
28 G A -1.2232
29 Y A -0.3501
30 T A -0.4835
31 M A -0.4494
32 H A -1.7622
33 Q A -3.3371
34 D A -4.2362
35 Q A -3.8300
36 E A -4.1770
37 G A -4.0996
38 D A -4.1088
39 T A -2.8589
40 D A -2.6323
41 A A -2.7133
42 G A -1.9283
43 L A -0.9168
44 K A -2.7495
45 E A -2.5594
46 S A -1.3260
47 P A -0.4250
48 L A -0.2485
49 Q A -1.3717
50 T A -0.7260
51 P A -1.4177
52 T A -1.7579
53 E A -3.4655
54 D A -3.6360
55 G A -3.3587
56 S A -3.2377
57 E A -3.5821
58 E A -3.7505
59 P A -2.7526
60 G A -1.9216
61 S A -1.8910
62 E A -2.5736
63 T A -2.2575
64 S A -1.9290
65 D A -2.5965
66 A A -2.1039
67 K A -2.5121
68 S A -1.6249
69 T A -1.5755
70 P A -1.7692
71 T A -0.9993
72 A A -1.5222
73 E A -2.0832
74 D A -1.5892
75 V A 0.4531
76 T A 0.0970
77 A A 0.3492
78 P A 0.2481
79 L A 1.1306
80 V A -0.2737
81 D A -1.9628
82 E A -2.8497
83 G A -2.3192
84 A A -1.9560
85 P A -2.0378
86 G A -2.0489
87 K A -2.7740
88 Q A -2.1588
89 A A -1.4427
90 A A -1.6241
91 A A -1.2309
92 Q A -2.2452
93 P A -1.9228
94 H A -2.1785
95 T A -1.8026
96 E A -2.5931
97 I A -1.3235
98 P A -1.5647
99 E A -2.3885
100 G A -1.6510
101 T A -1.5599
102 T A -1.3967
103 A A -1.6416
104 E A -2.7390
105 E A -2.6781
106 A A -1.7533
107 G A -1.8656
108 I A -1.2760
109 G A -1.5039
110 D A -2.3010
111 T A -1.4689
112 P A -1.5993
113 S A -2.1792
114 L A -1.8091
115 E A -3.3299
116 D A -3.5971
117 E A -3.1315
118 A A -1.9943
119 A A -1.4273
120 G A -1.6252
121 H A -1.7336
122 V A -0.9855
123 T A -0.4838
124 Q A -1.0201
125 A A -0.9499
126 R A -2.3776
127 M A -1.1044
128 V A 0.3169
129 S A -0.9782
130 K A -2.2551
131 S A -2.2516
132 K A -3.1567
133 D A -3.2479
134 G A -3.0673
135 T A -2.5467
136 G A -2.6760
137 S A -3.1905
138 D A -3.9300
139 D A -4.5865
140 K A -4.5488
141 K A -4.1638
142 A A -3.0465
143 K A -3.4682
144 G A -2.8449
145 A A -2.4036
146 D A -3.2855
147 G A -2.5643
148 K A -2.8256
149 T A -1.5349
150 K A -1.7479
151 I A 0.6410
152 A A 0.0787
153 T A -0.4673
154 P A -0.9920
155 R A -2.0907
156 G A -1.4973
157 A A -1.0482
158 A A -1.5216
159 P A -1.5196
160 P A -1.5677
161 G A -2.0521
162 Q A -2.6484
163 K A -3.2923
164 G A -2.5672
165 Q A -2.7300
166 A A -2.0950
167 N A -2.3528
168 A A -1.3260
169 T A -1.0364
170 R A -1.4718
171 I A 0.0722
172 P A -0.4841
173 A A -0.7053
174 K A -1.5858
175 T A -0.9191
176 P A -0.8057
177 P A -0.9672
178 A A -1.1663
179 P A -1.3781
180 K A -2.1123
181 T A -1.2510
182 P A -1.0409
183 P A -0.9922
184 S A -1.4921
185 S A -1.6783
186 G A -1.7335
187 E A -2.4743
188 P A -2.2609
189 P A -1.6225
190 K A -1.5513
191 S A -1.3707
192 G A -1.3335
193 D A 0.0000
194 R A -1.9954
195 S A -1.4816
196 G A -0.7451
197 Y A 0.2087
198 S A -0.3070
199 S A -0.4645
200 P A -0.7025
201 G A -0.8666
202 S A -0.8216
203 P A -0.9814
204 G A -0.9815
205 T A -0.9195
206 P A -1.0611
207 G A -1.5730
208 S A -1.9239
209 R A -2.9181
210 S A -2.1438
211 R A -2.7107
212 T A -1.5474
213 P A -0.5781
214 S A -0.2559
215 L A 0.0025
216 P A -0.1609
217 T A -0.2966
218 P A -0.4844
219 P A -1.0383
220 T A -1.3019
221 R A -2.5090
222 E A -3.1712
223 P A -2.7321
224 K A -2.9197
225 K A -1.8348
226 V A -0.8648
227 A A -0.8901
228 V A -0.6355
229 V A -1.2232
230 R A -2.2564
231 T A -1.5707
232 P A -1.3806
233 P A -1.5656
234 K A -2.3358
235 S A -1.8851
236 P A -1.2332
237 S A -1.3950
238 S A -1.5745
239 A A -1.7714
240 K A -2.5782
241 S A -2.1196
242 R A -2.6877
243 L A -1.7383
244 Q A -2.0278
245 T A -1.1710
246 A A -0.6904
247 P A -0.1225
248 V A -0.0401
249 P A -0.3059
250 M A -0.5122
251 P A -0.6959
252 D A -1.7013
253 L A -0.2205
254 K A -2.1853
255 N A -2.5587
256 V A -1.8361
257 K A -2.8377
258 S A -1.9068
259 K A -2.1960
260 I A -1.2083
261 G A -1.9926
262 S A -1.6772
263 T A -2.1302
264 E A -3.1594
265 N A -2.8703
266 L A -2.1120
267 K A -3.3544
268 H A -2.8441
269 Q A -2.6927
270 P A -1.7704
271 G A -1.9015
272 G A -1.4885
273 G A -1.6322
274 K A -2.3256
275 V A 0.0000
276 Q A -1.2596
277 I A -0.1726
278 I A -1.0912
279 N A -2.1969
280 K A -3.0777
281 K A -2.9744
282 L A -1.7489
283 D A -2.0422
284 L A -1.1433
285 S A 0.0000
286 N A -2.3178
287 V A -1.1783
288 Q A -1.9659
289 S A -1.4585
290 K A -2.0091
291 C A -1.5301
292 G A -1.8304
293 S A -2.2562
294 K A -2.7725
295 D A -3.2809
296 N A -2.6344
297 I A -0.6492
298 K A -0.8806
299 H A -1.0140
300 V A -0.3737
301 P A -0.8681
302 G A -0.9911
303 G A -0.9292
304 G A -1.0150
305 S A -0.7417
306 V A 0.1739
307 Q A -0.0757
308 I A 1.3155
309 V A 2.0589
310 Y A 1.0624
311 K A -0.5289
312 P A -0.0835
313 V A 0.7310
314 D A -0.6139
315 L A 0.8272
316 S A -0.2713
317 K A -0.6681
318 V A 0.0715
319 T A -0.4206
320 S A -1.1505
321 K A -1.4942
322 C A -0.2507
323 G A -0.2928
324 S A 0.0389
325 L A 1.3918
326 G A 0.0599
327 N A -0.5598
328 I A 0.7584
329 H A -1.2820
330 H A -1.6295
331 K A -2.4755
332 P A -1.7402
333 G A -1.5241
334 G A -1.3576
335 G A -0.7703
336 Q A -0.8560
337 V A 0.3619
338 E A -1.0172
339 V A -0.0899
340 K A -1.9477
341 S A -1.7172
342 E A -2.7859
343 K A -2.2726
344 L A -0.3727
345 D A -1.0200
346 F A -0.2131
347 K A -2.2471
348 D A -3.0045
349 R A -2.8191
350 V A -1.6810
351 Q A -1.9590
352 S A -0.9500
353 K A -1.1270
354 I A 0.9240
355 G A 0.2277
356 S A -0.0724
357 L A 0.3596
358 D A -1.3093
359 N A -1.2903
360 I A 0.7521
361 T A 0.3382
362 H A 0.1848
363 V A 1.6024
364 P A 0.0035
365 G A -0.2985
366 G A -1.1372
367 G A -1.2939
368 N A -2.2372
369 K A -2.3737
370 K A -1.9063
371 I A -0.2408
372 E A -1.8681
373 T A -1.3182
374 H A -1.8556
375 K A -1.8708
376 L A -0.8795
377 T A -0.7295
378 F A -0.8505
379 R A -2.4925
380 E A -3.1095
381 N A -2.4186
382 A A -2.4162
383 K A -2.5336
384 A A -2.4611
385 K A -2.3860
386 T A 0.0000
387 D A -3.0230
388 H A -1.8249
389 G A -1.7732
390 A A -1.2712
391 E A -1.7338
392 I A -1.3240
393 V A -0.8388
394 Y A -0.2785
395 K A -1.4401
396 S A -0.9565
397 P A -0.3373
398 V A 0.1082
399 V A 0.8131
400 S A -0.1246
401 G A -0.8955
402 D A -2.1906
403 T A -1.8945
404 S A -1.7541
405 P A -1.8876
406 R A -2.9560
407 H A -2.2666
408 L A 0.0000
409 S A -0.8524
410 N A -0.6947
411 V A 1.0433
412 S A 0.2516
413 S A -0.2150
414 T A -0.3337
415 G A -0.9761
416 S A -1.4231
417 I A -0.6423
418 D A -1.1737
419 M A 0.4096
420 V A 0.7635
421 D A -1.3272
422 S A -0.8296
423 P A -1.0027
424 Q A -1.0720
425 L A 0.2379
426 A A -0.3366
427 T A -0.2642
428 L A -0.2657
429 A A -1.1738
430 D A -2.4862
431 E A -2.3969
432 V A -0.7325
433 S A -0.8974
434 A A -1.1829
435 S A -0.7172
436 L A -0.4424
437 A A -0.9464
438 K A -2.0782
439 Q A -1.6401
440 G A -0.7637
441 L A 0.7318
2 S B -1.0716
3 H B -1.3767
4 P B -1.2997
5 S B 0.0000
6 P B -1.2528
7 Q B -1.6013
8 A B -1.2656
9 K B -1.7355
10 P B -1.3321
11 S B -1.2433
12 N B -1.1925
13 P B -1.0352
14 S B -1.0152
15 N B 0.0000
16 P B -1.2096
17 R B -0.8488
18 V B 0.0000
19 F B 0.0039
20 F B 0.0000
21 D B 0.0000
22 V B 0.0000
23 D B -1.2502
24 I B -0.6076
25 G B -1.0442
26 G B -1.5230
27 E B -2.3516
28 R B -2.2505
29 V B -0.9532
30 G B -0.6615
31 R B -0.4931
32 I B 0.0000
33 V B 0.0000
34 L B 0.0000
35 E B 0.0000
36 L B 0.0000
37 F B 0.0000
38 A B -1.1331
39 D B -1.5495
40 I B -0.5118
41 V B 0.0000
42 P B -1.2167
43 K B -1.6169
44 T B 0.0000
45 A B 0.0000
46 E B -1.2243
47 N B 0.0000
48 F B 0.0000
49 R B -1.0059
50 A B 0.0000
51 L B 0.0000
52 C B 0.0000
53 T B -1.4325
54 G B -1.6468
55 E B -2.5555
56 K B -2.2283
57 G B -0.9968
58 I B 0.5769
59 G B 0.0000
60 P B -0.4534
61 T B -0.7699
62 T B -0.9032
63 G B -0.6347
64 K B -1.1913
65 P B -0.9108
66 L B 0.0000
67 H B -1.3409
68 F B 0.0000
69 K B -2.1199
70 G B -1.3147
71 C B 0.0000
72 P B 0.0000
73 F B 0.0000
74 H B -1.4097
75 R B -1.8467
76 I B 0.0000
77 I B -1.3015
78 K B -2.6730
79 K B -2.5456
80 F B -0.8781
81 M B 0.0000
82 I B 0.0000
83 Q B 0.0000
84 G B 0.0000
85 G B 0.0000
86 D B 0.0000
87 F B -1.3586
88 S B -1.5790
89 N B -2.3552
90 Q B -2.3556
91 N B -2.5337
92 G B -1.5340
93 T B -1.0857
94 G B -1.3213
95 G B -1.5219
96 E B 0.0000
97 S B 0.0000
98 I B -0.5256
99 Y B -0.2552
100 G B -1.2101
101 E B -2.6151
102 K B -3.0463
103 F B 0.0000
104 E B -2.8527
105 D B -2.2607
106 E B -1.5033
107 N B -0.9362
108 F B -0.6293
109 H B -0.7538
110 Y B -0.8838
111 K B -1.5984
112 H B 0.0000
113 D B -1.4096
114 K B -1.2598
115 E B -1.1181
116 G B 0.0000
117 L B 0.0000
118 L B 0.0000
119 S B 0.0000
120 M B 0.0000
121 A B -0.3697
122 N B -0.9122
123 A B -0.4475
124 G B -0.7654
125 S B -1.3491
126 N B -2.2885
127 T B -1.8667
128 N B 0.0000
129 G B -1.4391
130 S B 0.0000
131 Q B -0.3388
132 F B 0.0000
133 F B 0.0000
134 I B 0.0000
135 T B 0.0000
136 T B 0.0000
137 V B -0.8011
138 P B -1.0182
139 T B 0.0000
140 P B -1.3897
141 H B -1.6768
142 L B 0.0000
143 D B -1.7848
144 G B -1.6786
145 K B -2.1173
146 H B 0.0000
147 V B 0.0000
148 V B 0.0000
149 F B 0.0000
150 G B 0.0000
151 Q B 0.0000
152 V B 0.0000
153 I B -0.3731
154 K B -0.5569
155 G B 0.0000
156 M B -0.4603
157 G B -0.5296
158 V B 0.0000
159 A B 0.0000
160 K B -1.4085
161 I B -0.1444
162 L B 0.0000
163 E B 0.0000
164 N B -1.9744
165 V B -1.2423
166 E B -2.1878
167 V B -1.9543
168 K B -2.6698
169 G B -2.1427
170 E B -2.7630
171 K B -2.5818
172 P B 0.0000
173 A B -1.0933
174 K B -0.8084
175 L B 0.5712
176 C B 0.0000
177 V B -0.3967
178 I B 0.0000
179 A B -1.3709
180 E B -1.4130
181 C B -0.9076
182 G B -0.9492
183 E B -1.1186
184 L B -2.0351
185 K B -3.4660
186 E B -3.6484
187 G B -2.8845
188 D B -3.6008
189 D B -2.8500
190 W B -1.0729
191 G B -0.5560
192 I B -0.0096
193 F B 0.1434
194 P B -1.0927
195 K B -2.1894
196 D B -1.8455
197 G B -1.4511
198 S B -0.9452
199 G B -0.9078
200 D B 0.0000
201 S B -0.5764
202 H B -0.5412
203 P B -0.5332
204 D B -0.9271
205 F B -0.8449
206 P B 0.0000
207 E B -2.5648
208 D B -1.4580
209 A B -1.7587
210 D B -2.4430
211 V B -2.5299
212 D B -3.3972
213 L B -3.2544
214 K B -3.9337
215 D B -3.6966
216 V B 0.0000
217 D B -2.7401
218 K B -2.1327
219 I B 0.0000
220 L B -0.8916
221 L B 0.0741
222 I B 0.0000
223 S B 0.0000
224 E B -1.7367
225 D B -2.3160
226 L B 0.0000
227 K B -1.6316
228 N B -2.2390
229 I B -1.2894
230 G B 0.0000
231 N B -1.2816
232 T B -1.1150
233 F B -1.3026
234 F B -1.4442
235 K B -2.1232
236 S B -1.6194
237 Q B -2.2228
238 N B -1.8113
239 W B -1.5671
240 E B -2.2362
241 M B -1.4725
242 A B 0.0000
243 I B -1.2051
244 K B -1.9212
245 K B 0.0000
246 Y B 0.0000
247 T B -0.8105
248 K B 0.0000
249 V B 0.0000
250 L B -0.9826
251 R B -1.9610
252 Y B 0.0000
253 V B 0.0000
254 E B -2.7259
255 G B -2.4044
256 S B 0.0000
257 R B -4.0277
258 A B -2.1305
259 A B -2.4073
260 A B -3.2254
261 E B -3.6543
262 D B -3.4547
263 A B -2.3272
264 D B -3.5173
265 G B 0.0000
266 A B -2.0874
267 K B -2.3270
268 L B 0.0000
269 Q B -1.1460
270 P B -0.6681
271 V B 0.0000
272 A B 0.0000
273 L B -0.4039
274 S B -0.1501
275 C B 0.0000
276 V B 0.0000
277 L B -0.3362
278 N B -0.1355
279 I B 0.0000
280 G B 0.0000
281 A B 0.0000
282 C B 0.0000
283 K B -0.9742
284 L B -0.6108
285 K B -1.1508
286 M B -0.5534
287 S B -0.6319
288 D B -0.8364
289 W B -1.0160
290 Q B -1.5346
291 G B 0.0000
292 A B 0.0000
293 V B 0.0000
294 D B -2.1972
295 S B 0.0000
296 C B 0.0000
297 L B -0.9413
298 E B -1.9594
299 A B 0.0000
300 L B -1.2043
301 E B -1.9669
302 I B -0.8803
303 D B -1.1023
304 P B -0.9870
305 S B -0.8814
306 N B -0.7319
307 T B -1.0816
308 K B -1.3964
309 A B 0.0000
310 L B 0.0000
311 Y B -0.6794
312 R B -0.7205
313 R B -0.7375
314 A B 0.0000
315 Q B -0.6381
316 G B 0.0000
317 W B 0.0000
318 Q B 0.0000
319 G B -0.7434
320 L B -1.0370
321 K B -2.1418
322 E B -1.7731
323 Y B -1.5406
324 D B -2.1748
325 Q B -1.5956
326 A B 0.0000
327 L B -0.9006
328 A B -1.0299
329 D B 0.0000
330 L B 0.0000
331 K B -2.0186
332 K B -1.9058
333 A B 0.0000
334 Q B -2.2779
335 E B -2.4269
336 I B -0.6771
337 A B -1.5142
338 P B -2.1779
339 E B -3.0469
340 D B -2.5225
341 K B -2.8429
342 A B -1.2443
343 I B 0.0000
344 Q B -1.2203
345 A B -0.3945
346 E B -0.6527
347 L B -0.3852
348 L B 0.2399
349 K B -1.2684
350 V B 0.0000
351 K B -1.4380
352 Q B -2.0135
353 K B -2.0479
354 I B -2.2315
355 K B -2.3642
356 A B -2.2690
357 Q B -2.9411
358 K B -3.1895
359 D B -3.2893
360 K B -3.5857
361 E B -3.7298
362 K B -3.0235
363 A B -1.5973
364 A B -0.0124
365 Y B 1.3566

 

Laboratory of Theory of Biopolymers 2015