Project name: Taq aggregate

Chain sequence(s)	A: PKGRVLLVDGHHLAYRTFHALKGLTTSRGEPVQAVYGFAKSLLKALKEDGDAVIVVFDARAPTPEDFPRQLALIKELVDLLGLARLEVPGYEADDVLASLAKKAEKEGYEVRILTADKDLYQLLSDRIHVLHPEGYLITPAWLWEKYGLRPDQWADYRALTGDESDNLPGVKGIGEKTARKLLEEWGSLEALLKNLDRLKPAIREKILAHMDDLKLSWDLAKVRTDLPLEVDFAKRREPDRERLRAFLERLEFGSLLHEFGLLESPKALEEAPWPPPEGAFVGFVLSRKEPMWADLLALAAARGGRVHRAPEPYKALRDLKEARGLLAKDLSVLALREGLGLPPGDDPMLLAYLLDPSNTTPEGVARRYGGEWTEEAGERAALSERLFANLWGRLEGEERLLWLYREVERPLSAVLAHMEATGVRLDVAYLRALSLEVAEEIARLEAEVFRLAGHPFNLNSRDQLERVLFDELSTSAAVLEALREAHPIVEKILQYRELTKLKSTYIDPLPDLIHPRTGRLHTRFNQTATATGRLSSSDPNLQNIPVRTPLGQRIRRAFIAEEGWLLVALDYSQIELRVLAHLSGDENLIRVFQEGRDIHTETASWMFGVPREAVDPLMRRAAKTINFGVLYGMSAHRLSQELAIPYEEAQAFIERYFQSFPKVRAWIEKTLEEGRRRGYVETLFGRRRYVPDLEARVKSVREAAERMAFNMPVQGTAADLMKLAMVKLFPRLEEMGARMLLQVHDELVLEAPKERAEAVARLAKEVMEGVYPLAVPLEVEVGIGEDWLSAKE
Distance of aggregation	10 Å
Dynamic mode	No

• Minimal score value: -4.3844
• Maximal score value: 1.5732
• Average score: -1.0402
• Total score value: -824.875

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
10	P	A	-1.5976
11	K	A	-2.3740
12	G	A	-2.0198
13	R	A	-2.0205
14	V	A	0.0000
15	L	A	0.0000
16	L	A	0.0000
17	V	A	0.0000
18	D	A	0.0000
19	G	A	0.0000
20	H	A	-0.8003
21	H	A	-0.6529
22	L	A	0.0000
23	A	A	0.0000
24	Y	A	-0.2246
25	R	A	-1.4936
26	T	A	0.0000
27	F	A	-0.5148
28	H	A	-1.1078
29	A	A	-0.5465
30	L	A	0.0702
31	K	A	-1.3570
32	G	A	-0.7927
33	L	A	-0.0556
34	T	A	-0.8900
35	T	A	0.0000
36	S	A	-1.4938
37	R	A	-2.2041
38	G	A	-1.4178
39	E	A	-1.0469
40	P	A	-0.8804
41	V	A	0.0000
42	Q	A	0.0000
43	A	A	0.0000
44	V	A	0.0000
45	Y	A	0.1326
46	G	A	-0.5304
47	F	A	0.0000
48	A	A	0.0000
49	K	A	-1.4782
50	S	A	-1.1794
51	L	A	0.0000
52	L	A	0.0000
53	K	A	-1.6319
54	A	A	0.0000
55	L	A	0.0000
56	K	A	-2.1375
57	E	A	-2.5025
58	D	A	-2.2842
59	G	A	0.0000
60	D	A	-2.4952
61	A	A	0.0000
62	V	A	0.0000
63	I	A	0.0000
64	V	A	0.0000
65	V	A	0.0000
66	F	A	0.0000
67	D	A	-1.1334
68	A	A	-0.7946
85	R	A	-2.1557
86	A	A	-1.1825
87	P	A	-0.9287
88	T	A	-1.1130
89	P	A	-1.3422
90	E	A	-2.4541
91	D	A	-1.5626
92	F	A	0.0000
93	P	A	-1.0983
94	R	A	-0.9139
95	Q	A	0.0000
96	L	A	-0.1207
97	A	A	-0.4880
98	L	A	-0.6999
99	I	A	0.0000
100	K	A	-1.6064
101	E	A	-2.3492
102	L	A	0.0000
103	V	A	0.0000
104	D	A	-2.6299
105	L	A	0.0000
106	L	A	0.0000
107	G	A	0.0000
108	L	A	0.0000
109	A	A	-1.6109
110	R	A	-2.1655
111	L	A	-0.8509
112	E	A	-1.2641
113	V	A	-0.4366
114	P	A	-0.7008
115	G	A	-0.8629
116	Y	A	-0.9086
117	E	A	-2.1641
118	A	A	0.0000
119	D	A	-1.4201
120	D	A	0.0000
121	V	A	0.0000
122	L	A	0.0000
123	A	A	0.0000
124	S	A	0.0000
125	L	A	0.0000
126	A	A	0.0000
127	K	A	-2.2913
128	K	A	-2.8704
129	A	A	0.0000
130	E	A	-2.8318
131	K	A	-3.0500
132	E	A	-2.8831
133	G	A	-2.3044
134	Y	A	-2.2394
135	E	A	-2.0933
136	V	A	0.0000
137	R	A	-0.7103
138	I	A	0.0000
139	L	A	0.0000
140	T	A	0.0000
141	A	A	0.0000
142	D	A	-1.2242
143	K	A	-1.2459
144	D	A	-1.3496
145	L	A	0.0000
146	Y	A	0.0000
147	Q	A	-1.2803
148	L	A	0.0000
149	L	A	0.0000
150	S	A	-1.7016
151	D	A	-2.2684
152	R	A	-2.1736
153	I	A	0.0000
154	H	A	-0.7527
155	V	A	0.0000
156	L	A	0.0000
157	H	A	0.0000
158	P	A	-0.9163
159	E	A	-1.5579
160	G	A	-0.2688
161	Y	A	1.2205
162	L	A	1.0303
163	I	A	0.0000
164	T	A	-0.3596
165	P	A	-1.2216
166	A	A	-0.7317
167	W	A	-0.4433
168	L	A	0.0000
169	W	A	-0.6171
170	E	A	-2.1434
171	K	A	-2.0547
172	Y	A	-1.0589
173	G	A	-1.0336
174	L	A	0.0000
175	R	A	-2.2769
176	P	A	-1.9244
177	D	A	-2.7177
178	Q	A	-2.2633
179	W	A	0.0000
180	A	A	-1.4358
181	D	A	-1.3019
182	Y	A	-1.5142
183	R	A	0.0000
184	A	A	0.0000
185	L	A	-0.0635
186	T	A	-1.1845
187	G	A	-1.9968
188	D	A	-3.0728
189	E	A	-3.1466
190	S	A	-2.1268
191	D	A	-2.1966
192	N	A	-2.2098
193	L	A	-1.1622
194	P	A	-0.8267
195	G	A	-0.8243
196	V	A	-0.9022
197	K	A	-2.1633
198	G	A	0.0000
199	I	A	-1.3376
200	G	A	-1.7115
201	E	A	-2.9623
202	K	A	-3.1254
203	T	A	-2.2972
204	A	A	0.0000
205	R	A	-3.2932
206	K	A	-3.6641
207	L	A	0.0000
208	L	A	0.0000
209	E	A	-2.7251
210	E	A	-2.9096
211	W	A	0.0000
212	G	A	-1.4036
213	S	A	-0.5638
214	L	A	0.1861
215	E	A	-1.2525
216	A	A	-1.1455
217	L	A	-0.2210
218	L	A	-0.8262
219	K	A	-2.1941
220	N	A	-2.1093
221	L	A	-1.5598
222	D	A	-2.9368
223	R	A	-2.8168
224	L	A	-1.7073
225	K	A	-2.3835
226	P	A	-2.0047
227	A	A	0.0000
228	I	A	0.0000
229	R	A	-1.9003
230	E	A	-2.6427
231	K	A	-1.4818
232	I	A	0.1566
233	L	A	0.4272
234	A	A	-0.1816
235	H	A	-0.3079
236	M	A	0.0888
237	D	A	-1.7981
238	D	A	-1.1567
239	L	A	-0.7453
240	K	A	-1.7069
241	L	A	-0.6909
242	S	A	0.0000
243	W	A	-0.4569
244	D	A	-1.9837
245	L	A	0.0000
246	A	A	-1.4199
247	K	A	-2.4407
248	V	A	0.0000
249	R	A	-2.7943
250	T	A	-2.2467
251	D	A	-2.5625
252	L	A	-1.4268
253	P	A	-1.0064
254	L	A	-1.1252
255	E	A	-2.0503
256	V	A	-1.1763
257	D	A	-2.2627
258	F	A	0.0000
259	A	A	-1.7963
260	K	A	-3.0553
261	R	A	-2.4969
262	R	A	-3.0916
263	E	A	-3.2879
264	P	A	0.0000
265	D	A	-3.3445
266	R	A	-4.2267
267	E	A	-4.2409
268	R	A	-4.1823
269	L	A	0.0000
270	R	A	-4.2673
271	A	A	-3.5686
272	F	A	0.0000
273	L	A	0.0000
274	E	A	-4.0556
275	R	A	-3.5257
276	L	A	0.0000
277	E	A	-3.0290
278	F	A	-1.6662
279	G	A	-2.0680
280	S	A	-1.0143
281	L	A	-0.8031
282	L	A	-1.0016
283	H	A	-1.1774
284	E	A	-1.4416
285	F	A	0.0000
286	G	A	-1.6020
287	L	A	-1.2204
288	L	A	-1.6769
289	E	A	-2.4625
290	S	A	-1.8271
291	P	A	-1.5028
292	K	A	-2.0777
293	A	A	-1.3058
294	L	A	-1.3886
295	E	A	-2.9166
296	E	A	-3.1987
297	A	A	-1.9146
298	P	A	-1.1217
299	W	A	0.0000
300	P	A	-1.1358
301	P	A	-1.4876
302	P	A	-1.4378
303	E	A	-2.6614
304	G	A	-1.8113
305	A	A	0.0000
306	F	A	0.0000
307	V	A	0.0000
308	G	A	0.0000
309	F	A	0.0000
310	V	A	0.0000
311	L	A	-1.4462
312	S	A	-1.7669
313	R	A	-2.9058
314	K	A	-2.8099
315	E	A	-1.8599
316	P	A	0.0000
317	M	A	0.0000
318	W	A	-1.0820
319	A	A	0.0000
320	D	A	-2.0477
321	L	A	0.0000
322	L	A	-0.1119
323	A	A	-0.7077
324	L	A	0.0000
325	A	A	0.0000
326	A	A	0.0000
327	A	A	0.0000
328	R	A	-2.2682
329	G	A	-1.6426
330	G	A	-2.0471
331	R	A	-2.8106
332	V	A	0.0000
333	H	A	0.0000
334	R	A	-2.2790
335	A	A	0.0000
336	P	A	-1.7562
337	E	A	-2.5036
338	P	A	-1.7038
339	Y	A	-1.4090
340	K	A	-2.7532
341	A	A	0.0000
342	L	A	0.0000
343	R	A	-2.6208
344	D	A	-3.1807
345	L	A	-2.6843
346	K	A	-3.0708
347	E	A	-2.4701
348	A	A	0.0000
349	R	A	-1.0621
350	G	A	0.0000
351	L	A	0.0000
352	L	A	-0.0112
353	A	A	0.0000
354	K	A	-0.6153
355	D	A	-0.7126
356	L	A	0.0000
357	S	A	0.0000
358	V	A	0.0000
359	L	A	0.0000
360	A	A	0.0000
361	L	A	-0.3437
362	R	A	-0.7436
363	E	A	-0.8363
364	G	A	-0.6926
365	L	A	-0.7439
366	G	A	-1.0301
367	L	A	0.0000
368	P	A	-1.0669
369	P	A	0.0000
370	G	A	-0.9561
371	D	A	0.0000
372	D	A	0.0000
373	P	A	0.0000
374	M	A	0.0000
375	L	A	0.0000
376	L	A	0.0000
377	A	A	0.0000
378	Y	A	0.0000
379	L	A	0.0000
380	L	A	-0.2805
381	D	A	-0.1969
382	P	A	0.0000
383	S	A	-0.2668
384	N	A	0.0000
385	T	A	-0.5120
386	T	A	-0.6747
387	P	A	-1.5386
388	E	A	-2.8644
389	G	A	-2.3243
390	V	A	0.0000
391	A	A	0.0000
392	R	A	-3.7510
393	R	A	-2.8671
394	Y	A	-1.8664
395	G	A	-2.0183
396	G	A	-2.5834
397	E	A	-3.3988
398	W	A	-2.2750
399	T	A	-1.7911
400	E	A	-2.3252
401	E	A	-1.2961
402	A	A	0.0000
403	G	A	0.0000
404	E	A	-0.9888
405	R	A	0.0000
406	A	A	0.0000
407	A	A	-1.1254
408	L	A	0.0000
409	S	A	0.0000
410	E	A	-1.8280
411	R	A	-2.4500
412	L	A	0.0000
413	F	A	-0.8581
414	A	A	-1.2807
415	N	A	-1.7515
416	L	A	0.0000
417	W	A	-1.2945
418	G	A	-2.0554
419	R	A	-2.7770
420	L	A	0.0000
421	E	A	-2.8839
422	G	A	-2.5324
423	E	A	-2.5615
424	E	A	-2.8089
425	R	A	-2.1583
426	L	A	0.0000
427	L	A	-2.0650
428	W	A	-1.6464
429	L	A	0.0000
430	Y	A	0.0000
431	R	A	-2.6255
432	E	A	-2.4656
433	V	A	0.0000
434	E	A	0.0000
435	R	A	-1.7375
436	P	A	-1.2583
437	L	A	0.0000
438	S	A	0.0000
439	A	A	-0.3178
440	V	A	0.0000
441	L	A	0.0000
442	A	A	0.0000
443	H	A	-0.4318
444	M	A	0.0000
445	E	A	0.0000
446	A	A	-0.2315
447	T	A	-0.2218
448	G	A	0.0000
449	V	A	0.0000
450	R	A	-0.8180
451	L	A	0.0000
452	D	A	-0.7634
453	V	A	-0.4089
454	A	A	-0.4100
455	Y	A	-0.5102
456	L	A	0.0000
457	R	A	-1.7501
458	A	A	-0.6753
459	L	A	0.0000
460	S	A	-1.1674
461	L	A	-0.3690
462	E	A	-2.1722
463	V	A	0.0000
464	A	A	-1.5232
465	E	A	-3.0443
466	E	A	-2.9400
467	I	A	-2.1003
468	A	A	-2.1890
469	R	A	-2.9080
470	L	A	0.0000
471	E	A	-2.1454
472	A	A	-1.4948
473	E	A	-1.4823
474	V	A	0.0000
475	F	A	-1.3381
476	R	A	-1.9263
477	L	A	-0.4403
478	A	A	-0.7194
479	G	A	-1.3699
480	H	A	-1.6117
481	P	A	-1.3922
482	F	A	0.0000
483	N	A	-1.9856
484	L	A	0.0000
485	N	A	-2.1612
486	S	A	-2.4278
487	R	A	-3.5592
488	D	A	-3.5275
489	Q	A	-2.6455
490	L	A	0.0000
491	E	A	0.0000
492	R	A	-2.3133
493	V	A	-1.2440
494	L	A	0.1675
495	F	A	0.6965
496	D	A	-0.7733
497	E	A	0.1199
498	L	A	1.2938
513	S	A	-0.6633
514	T	A	0.0000
515	S	A	-0.5815
516	A	A	-0.4165
517	A	A	-0.2948
518	V	A	-0.4898
519	L	A	0.0000
520	E	A	-1.9186
521	A	A	-1.4677
522	L	A	0.0000
523	R	A	-3.3119
524	E	A	-3.0090
525	A	A	-1.5690
526	H	A	-1.4935
527	P	A	-1.4138
528	I	A	0.0000
529	V	A	0.0000
530	E	A	-2.7910
531	K	A	-1.7673
532	I	A	0.0000
533	L	A	-1.2169
534	Q	A	-1.4927
535	Y	A	0.0000
536	R	A	-1.3949
537	E	A	-0.8663
538	L	A	0.0000
539	T	A	-0.7070
540	K	A	-0.7953
541	L	A	0.0000
542	K	A	-0.7777
543	S	A	-0.7017
544	T	A	0.0000
545	Y	A	0.0000
546	I	A	0.0000
547	D	A	-1.8894
548	P	A	-1.1478
549	L	A	0.0000
550	P	A	-1.2291
551	D	A	-1.7290
552	L	A	-0.6784
553	I	A	-0.4593
554	H	A	0.0000
555	P	A	-1.3304
556	R	A	-2.0321
557	T	A	-1.2108
558	G	A	-0.9195
559	R	A	0.0000
560	L	A	0.0000
561	H	A	0.0000
562	T	A	0.0000
563	R	A	-0.6736
564	F	A	0.0000
565	N	A	-1.0834
566	Q	A	0.0000
567	T	A	0.0000
568	A	A	-0.2953
569	T	A	0.0000
570	A	A	-0.0741
571	T	A	0.0000
572	G	A	0.0000
573	R	A	-0.3702
574	L	A	0.0000
575	S	A	0.0000
576	S	A	0.0000
577	S	A	-0.4895
578	D	A	-0.3763
579	P	A	0.0000
580	N	A	0.0000
581	L	A	0.0000
582	Q	A	-0.2094
583	N	A	-0.1749
584	I	A	0.0000
585	P	A	0.0000
586	V	A	-1.0301
587	R	A	-2.0304
588	T	A	-1.1741
589	P	A	-1.0612
590	L	A	-0.9235
591	G	A	0.0000
592	Q	A	-1.9469
593	R	A	-1.6939
594	I	A	0.0000
595	R	A	0.0000
596	R	A	-2.0415
597	A	A	0.0000
598	F	A	0.0000
599	I	A	-1.1734
600	A	A	0.0000
601	E	A	-2.0005
602	E	A	-2.7337
603	G	A	-2.3343
604	W	A	-2.1130
605	L	A	-1.7569
606	L	A	0.0000
607	V	A	0.0000
608	A	A	0.0000
609	L	A	0.0000
610	D	A	-1.7891
611	Y	A	0.0000
612	S	A	-1.1808
613	Q	A	-0.5832
614	I	A	0.0000
615	E	A	-0.2854
616	L	A	0.0000
617	R	A	0.0000
618	V	A	0.0000
619	L	A	0.0000
620	A	A	0.0000
621	H	A	-0.2334
622	L	A	0.1760
623	S	A	0.0000
624	G	A	-0.9558
625	D	A	0.0000
626	E	A	-2.6119
627	N	A	-1.8794
628	L	A	0.0000
629	I	A	-1.7982
630	R	A	-2.9532
631	V	A	0.0000
632	F	A	0.0000
633	Q	A	-3.1599
634	E	A	-3.6154
635	G	A	-3.1813
636	R	A	-3.5865
637	D	A	-2.7111
638	I	A	0.0000
639	H	A	-1.6347
640	T	A	-2.1519
641	E	A	0.0000
642	T	A	0.0000
643	A	A	0.0000
644	S	A	0.0000
645	W	A	-0.2777
646	M	A	0.0000
647	F	A	0.1822
648	G	A	-0.1076
649	V	A	-0.3655
650	P	A	-1.2031
651	R	A	-2.5397
652	E	A	-2.5616
653	A	A	-1.4675
654	V	A	-1.5491
655	D	A	-1.8673
656	P	A	-1.2212
657	L	A	-0.6498
658	M	A	-1.0666
659	R	A	-2.3946
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