Project name: Tau PHF [mutate: VA309K]

Status: done

submitted: 2019-02-23 21:14:09, status changed: 2019-02-23 21:54:54
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Chain sequence(s) A: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
C: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
B: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
E: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
D: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
G: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
F: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
I: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
H: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
J: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA309K
Energy difference between WT (input) and mutated protein (by FoldX) -0.158681 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-5.5252
Maximal score value
2.7072
Average score
-0.7938
Total score value
-579.4539

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
306 V A 1.9594
307 Q A -0.2558
308 I A -0.2552
309 K A -2.2770 mutated: VA309K
310 Y A -1.4801
311 K A -2.1366
312 P A -0.7478
313 V A 0.8095
314 D A -0.2230
315 L A 0.8229
316 S A -0.7056
317 K A -1.5676
318 V A -1.1269
319 T A -1.3614
320 S A -1.5857
321 K A -2.4669
322 C A -1.1728
323 G A -1.0682
324 S A -0.6347
325 L A -0.0103
326 G A -0.7593
327 N A -1.5296
328 I A -0.5645
329 H A -1.1930
330 H A -0.6577
331 K A -1.3737
332 P A -0.9085
333 G A -1.0350
334 G A -0.9897
335 G A -1.0608
336 Q A -1.6851
337 V A -1.0918
338 E A -2.2889
339 V A -1.6314
340 K A -2.9809
341 S A -2.6608
342 E A -3.6299
343 K A -3.4339
344 L A -1.8829
345 D A -2.6891
346 F A -2.8272
347 K A -4.0046
348 D A -3.8771
349 R A -4.1088
350 V A -2.6662
351 Q A -2.7501
352 S A -1.6025
353 K A -2.1096
354 I A -1.0222
355 G A -1.0112
356 S A -0.8229
357 L A -0.1855
358 D A -0.2101
359 N A 0.1025
360 I A 1.2122
361 T A 0.0000
362 H A -0.5561
363 V A -0.0851
364 P A -0.4038
365 G A 0.0000
366 G A -1.2029
367 G A -1.1143
368 N A -1.6179
369 K A -2.4227
370 K A -1.5537
371 I A -0.0578
372 E A -0.6020
373 T A -0.6693
374 H A -1.1912
375 K A -2.0588
376 L A -0.3137
377 T A 0.5406
378 F A 1.8382
306 V B 1.9598
307 Q B 0.5738
308 I B 1.4577
309 V B 1.2924
310 Y B 0.3678
311 K B -1.1626
312 P B -0.2520
313 V B 0.9572
314 D B -0.0466
315 L B 0.9103
316 S B -0.6233
317 K B -1.6367
318 V B -0.9146
319 T B -1.2838
320 S B -1.4449
321 K B -2.3323
322 C B -1.0496
323 G B -0.9753
324 S B -0.5324
325 L B 0.1962
326 G B -0.6403
327 N B -1.4709
328 I B -0.6374
329 H B -1.1965
330 H B -0.7919
331 K B -1.1862
332 P B -0.9391
333 G B -0.9257
334 G B -0.7148
335 G B -0.6223
336 Q B -0.8795
337 V B -0.7703
338 E B -2.1645
339 V B -1.5479
340 K B -2.9245
341 S B -2.5725
342 E B -3.5649
343 K B -3.4995
344 L B -1.9611
345 D B -2.8335
346 F B -2.8459
347 K B -4.0008
348 D B -3.7285
349 R B -4.0087
350 V B -2.6167
351 Q B -2.7565
352 S B -1.5863
353 K B -2.1014
354 I B -0.9878
355 G B -0.9349
356 S B -0.8061
357 L B -0.0874
358 D B -0.4131
359 N B -0.0764
360 I B 1.1311
361 T B 0.0000
362 H B -0.4408
363 V B -0.0252
364 P B -0.3525
365 G B 0.0000
366 G B -1.1119
367 G B -1.0724
368 N B -1.3591
369 K B -1.9278
370 K B -0.6570
371 I B 0.4448
372 E B -0.3700
373 T B -0.6437
374 H B -1.1923
375 K B -2.1065
376 L B -0.3437
377 T B 0.5106
378 F B 1.8118
306 V C 2.5355
307 Q C 0.5624
308 I C 0.0000
309 V C -1.1982
310 Y C 0.0000
311 K C -1.8428
312 P C 0.0000
313 V C 0.3891
314 D C 0.5374
315 L C 0.7448
316 S C 0.0000
317 K C -1.1454
318 V C 0.0000
319 T C -1.6186
320 S C 0.0000
321 K C -2.9884
322 C C 0.0000
323 G C -1.2810
324 S C -0.6819
325 L C 0.0000
326 G C -0.9327
327 N C -1.5326
328 I C 0.0000
329 H C -0.9917
330 H C 0.0000
331 K C 0.0000
332 P C 0.0000
333 G C 0.0000
334 G C 0.0000
335 G C 0.0000
336 Q C 0.0000
337 V C 0.0000
338 E C -1.5663
339 V C 0.0000
340 K C -2.7181
341 S C -2.8492
342 E C -3.3952
343 K C -3.3877
344 L C 0.0000
345 D C -2.6993
346 F C 0.0000
347 K C -4.1139
348 D C -4.4682
349 R C -5.1632
350 V C 0.0000
351 Q C -2.8980
352 S C -1.5149
353 K C -1.3979
354 I C 0.0000
355 G C 0.0000
356 S C 0.0000
357 L C 0.0000
358 D C 0.0000
359 N C 0.0000
360 I C 0.5458
361 T C 0.0000
362 H C -0.3082
363 V C 0.0000
364 P C 0.0000
365 G C 0.0000
366 G C 0.0000
367 G C -1.0007
368 N C 0.0000
369 K C -1.9440
370 K C 0.0000
371 I C -0.0831
372 E C 0.0000
373 T C -0.5070
374 H C 0.0000
375 K C -1.6202
376 L C 0.0000
377 T C 0.5954
378 F C 1.9244
306 V D 2.5401
307 Q D 1.0927
308 I D 0.0000
309 V D 0.2595
310 Y D 0.0000
311 K D -0.8274
312 P D 0.0000
313 V D 0.5303
314 D D 0.0000
315 L D 0.8896
316 S D 0.0000
317 K D -1.5368
318 V D 0.0000
319 T D -1.6071
320 S D 0.0000
321 K D -2.5742
322 C D 0.0000
323 G D -1.1882
324 S D -0.5941
325 L D 0.0000
326 G D -0.8287
327 N D -1.4241
328 I D 0.0000
329 H D -0.9996
330 H D 0.0000
331 K D 0.0000
332 P D 0.0000
333 G D 0.0000
334 G D 0.0000
335 G D 0.0000
336 Q D 0.0000
337 V D 0.0000
338 E D -1.5043
339 V D 0.0000
340 K D -2.6711
341 S D 0.0000
342 E D -3.2868
343 K D -3.3975
344 L D 0.0000
345 D D -3.0935
346 F D 0.0000
347 K D -4.4085
348 D D -4.3647
349 R D -5.1355
350 V D 0.0000
351 Q D -2.9447
352 S D 0.0000
353 K D -1.3757
354 I D 0.0000
355 G D 0.0000
356 S D 0.0000
357 L D 0.0000
358 D D 0.0000
359 N D 0.0000
360 I D 0.5032
361 T D 0.0000
362 H D -0.3050
363 V D 0.0000
364 P D 0.0000
365 G D 0.0000
366 G D 0.0000
367 G D -0.9493
368 N D 0.0000
369 K D -1.5575
370 K D 0.0000
371 I D 0.1922
372 E D 0.0000
373 T D -0.5330
374 H D 0.0000
375 K D -1.7894
376 L D 0.0000
377 T D 0.5625
378 F D 1.9965
306 V E 2.6882
307 Q E 0.7538
308 I E 0.0000
309 V E -0.4796
310 Y E 0.0000
311 K E -1.5041
312 P E 0.0000
313 V E 0.5695
314 D E 0.0000
315 L E 1.1260
316 S E 0.0000
317 K E -1.3034
318 V E 0.0000
319 T E 0.0000
320 S E 0.0000
321 K E -2.6539
322 C E 0.0000
323 G E -1.3017
324 S E -0.6617
325 L E 0.0000
326 G E -1.0332
327 N E -1.5697
328 I E 0.0000
329 H E -0.7283
330 H E 0.0000
331 K E 0.0000
332 P E 0.0000
333 G E 0.0000
334 G E 0.0000
335 G E 0.0000
336 Q E 0.0000
337 V E 0.0000
338 E E -0.9801
339 V E 0.0000
340 K E -2.0116
341 S E -2.5595
342 E E -3.0906
343 K E -2.9906
344 L E 0.0000
345 D E -2.6064
346 F E 0.0000
347 K E -3.8659
348 D E -4.2932
349 R E -5.0426
350 V E 0.0000
351 Q E -2.5647
352 S E 0.0000
353 K E -1.1213
354 I E 0.0000
355 G E 0.0000
356 S E 0.0000
357 L E 0.0000
358 D E 0.0000
359 N E 0.0000
360 I E 0.5090
361 T E 0.0000
362 H E -0.4882
363 V E 0.0000
364 P E 0.0000
365 G E 0.0000
366 G E 0.0000
367 G E -0.6790
368 N E 0.0000
369 K E -1.7927
370 K E 0.0000
371 I E 0.2768
372 E E 0.0000
373 T E -0.3118
374 H E 0.0000
375 K E -1.4096
376 L E 0.0000
377 T E 0.5664
378 F E 1.7563
306 V F 2.7072
307 Q F 0.7897
308 I F 0.0000
309 V F 0.1339
310 Y F 0.0000
311 K F -1.2609
312 P F 0.0000
313 V F 0.7185
314 D F 0.0000
315 L F 1.1676
316 S F 0.0000
317 K F -1.5674
318 V F 0.0000
319 T F 0.0000
320 S F 0.0000
321 K F -2.3409
322 C F 0.0000
323 G F -1.2157
324 S F -0.6864
325 L F 0.0000
326 G F -1.0493
327 N F -1.5852
328 I F 0.0000
329 H F -0.7532
330 H F 0.0000
331 K F 0.0000
332 P F 0.0000
333 G F 0.0000
334 G F 0.0000
335 G F 0.0000
336 Q F 0.0000
337 V F 0.0000
338 E F -0.9730
339 V F 0.0000
340 K F -2.3358
341 S F -2.6704
342 E F -3.1815
343 K F -3.0040
344 L F 0.0000
345 D F -2.9380
346 F F 0.0000
347 K F -4.6002
348 D F -4.9460
349 R F -5.3476
350 V F 0.0000
351 Q F -2.5947
352 S F 0.0000
353 K F -1.0396
354 I F 0.0000
355 G F 0.0000
356 S F 0.0000
357 L F 0.0000
358 D F 0.0000
359 N F 0.0000
360 I F 0.5142
361 T F 0.0000
362 H F -0.4676
363 V F 0.0000
364 P F 0.0000
365 G F 0.0000
366 G F 0.0000
367 G F -0.6665
368 N F 0.0000
369 K F -1.7740
370 K F 0.0000
371 I F 0.3185
372 E F 0.0000
373 T F -0.3558
374 H F 0.0000
375 K F -1.6739
376 L F 0.0000
377 T F 0.5745
378 F F 1.9169
306 V G 2.6306
307 Q G 1.0064
308 I G 0.0000
309 V G -0.2600
310 Y G 0.0000
311 K G -1.4724
312 P G 0.0000
313 V G 0.2603
314 D G 0.0000
315 L G 0.6040
316 S G 0.0000
317 K G -1.1211
318 V G 0.0000
319 T G -1.3303
320 S G 0.0000
321 K G -2.6116
322 C G 0.0000
323 G G -1.1597
324 S G -0.7092
325 L G 0.0000
326 G G -1.0538
327 N G -1.4101
328 I G 0.0000
329 H G -0.8264
330 H G 0.0000
331 K G 0.0000
332 P G 0.0000
333 G G 0.0000
334 G G 0.0000
335 G G 0.0000
336 Q G 0.0000
337 V G 0.0000
338 E G -1.1347
339 V G 0.0000
340 K G -2.5472
341 S G -3.0027
342 E G -3.9043
343 K G -3.6692
344 L G 0.0000
345 D G -2.6153
346 F G 0.0000
347 K G -3.9762
348 D G -4.1762
349 R G -5.1919
350 V G 0.0000
351 Q G -2.7654
352 S G 0.0000
353 K G -1.1502
354 I G 0.0000
355 G G 0.0000
356 S G 0.0000
357 L G 0.0000
358 D G -0.6513
359 N G 0.0000
360 I G -0.1239
361 T G 0.0000
362 H G -0.4483
363 V G 0.0000
364 P G 0.0000
365 G G 0.0000
366 G G 0.0000
367 G G -0.9317
368 N G 0.0000
369 K G -2.2536
370 K G 0.0000
371 I G -0.5390
372 E G 0.0000
373 T G -0.8318
374 H G 0.0000
375 K G -1.7261
376 L G 0.0000
377 T G 0.8301
378 F G 2.1134
306 V H 2.6483
307 Q H 1.0355
308 I H 0.0000
309 V H -0.1617
310 Y H 0.0000
311 K H -0.9531
312 P H 0.0000
313 V H 0.6860
314 D H 0.0000
315 L H 0.8737
316 S H 0.0000
317 K H -1.2283
318 V H 0.0000
319 T H -1.2823
320 S H 0.0000
321 K H -2.2423
322 C H 0.0000
323 G H -1.1908
324 S H -0.7401
325 L H 0.0000
326 G H -1.1769
327 N H -1.6297
328 I H 0.0000
329 H H -1.0914
330 H H 0.0000
331 K H -1.1360
332 P H 0.0000
333 G H 0.0000
334 G H 0.0000
335 G H 0.0000
336 Q H 0.0000
337 V H 0.0000
338 E H -0.8779
339 V H 0.0000
340 K H -2.6012
341 S H 0.0000
342 E H -3.6914
343 K H -3.3998
344 L H 0.0000
345 D H -2.6214
346 F H 0.0000
347 K H -4.5735
348 D H -4.8173
349 R H -5.5252
350 V H 0.0000
351 Q H -2.7242
352 S H -1.1314
353 K H -0.8095
354 I H 0.0000
355 G H 0.0000
356 S H 0.0000
357 L H 0.0000
358 D H 0.0000
359 N H 0.0000
360 I H -0.1190
361 T H 0.0000
362 H H -0.3947
363 V H 0.0000
364 P H 0.0000
365 G H 0.0000
366 G H 0.0000
367 G H -0.9468
368 N H 0.0000
369 K H -2.2816
370 K H 0.0000
371 I H -0.5441
372 E H 0.0000
373 T H -0.6994
374 H H 0.0000
375 K H -1.8341
376 L H 0.0000
377 T H 0.8401
378 F H 2.4255
306 V I 2.0460
307 Q I 0.3505
308 I I 1.1161
309 V I -0.0660
310 Y I -0.1228
311 K I -1.6236
312 P I -0.9602
313 V I 0.3883
314 D I -0.4490
315 L I 0.6383
316 S I -0.8093
317 K I -1.5540
318 V I -1.4410
319 T I -1.2256
320 S I -1.3936
321 K I -2.0839
322 C I -1.2773
323 G I -1.1171
324 S I -0.8204
325 L I -0.4834
326 G I -1.2448
327 N I -1.6445
328 I I -0.7508
329 H I -0.9098
330 H I -0.5130
331 K I -0.8812
332 P I -0.5901
333 G I 0.0000
334 G I -0.6132
335 G I 0.0000
336 Q I -0.6847
337 V I -0.4030
338 E I -1.4540
339 V I -1.3258
340 K I -2.9271
341 S I -3.2202
342 E I -3.8446
343 K I -3.6974
344 L I -2.4908
345 D I -2.5096
346 F I -1.9693
347 K I -3.7914
348 D I -4.2913
349 R I -4.4030
350 V I -3.0383
351 Q I -2.6628
352 S I -1.4110
353 K I -1.7212
354 I I -0.1988
355 G I -0.6293
356 S I -0.7526
357 L I -0.4352
358 D I -1.6361
359 N I -1.0558
360 I I -0.1180
361 T I -0.2113
362 H I -0.8004
363 V I -0.1398
364 P I -0.4919
365 G I -0.7866
366 G I -0.8018
367 G I -1.0248
368 N I -2.0902
369 K I -2.9323
370 K I -2.7186
371 I I -1.1910
372 E I -1.3052
373 T I -1.1800
374 H I -1.9991
375 K I -2.1838
376 L I -0.0410
377 T I 0.9991
378 F I 2.5011
306 V J 2.0668
307 Q J 0.3878
308 I J 1.2563
309 V J 0.0701
310 Y J 0.0406
311 K J -1.2632
312 P J -0.4105
313 V J 1.1091
314 D J 0.2512
315 L J 1.1454
316 S J -0.5363
317 K J -1.2960
318 V J -1.3346
319 T J -1.1653
320 S J -1.3744
321 K J -2.1828
322 C J -1.3160
323 G J -1.1572
324 S J -0.9056
325 L J -0.6045
326 G J -1.3521
327 N J -1.7466
328 I J -0.8064
329 H J -1.2530
330 H J -1.1097
331 K J -2.0665
332 P J -1.2827
333 G J -0.8572
334 G J -0.9094
335 G J -0.3380
336 Q J -0.4280
337 V J -0.0025
338 E J -0.6599
339 V J -0.8778
340 K J -2.7028
341 S J -2.9772
342 E J -3.5792
343 K J -3.2160
344 L J -2.2875
345 D J -2.5253
346 F J -2.2271
347 K J -4.0393
348 D J -4.5502
349 R J -4.5954
350 V J -3.1997
351 Q J -2.5367
352 S J -1.0286
353 K J -0.8224
354 I J 0.3349
355 G J -0.0299
356 S J -0.1356
357 L J 0.0615
358 D J -1.3916
359 N J -1.1363
360 I J -0.1311
361 T J -0.2240
362 H J -0.7555
363 V J -0.0208
364 P J -0.4306
365 G J -0.8026
366 G J -0.8343
367 G J -1.0111
368 N J -2.1336
369 K J -2.9788
370 K J -2.7393
371 I J -1.1331
372 E J -1.0203
373 T J -0.8864
374 H J -1.4744
375 K J -2.1724
376 L J -0.2699
377 T J 0.8983
378 F J 2.5775

 

Laboratory of Theory of Biopolymers 2015