Project name: 3SRF pyruvate kinase chain A

Chain sequence(s)	A: IQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP; C: IQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP; B: QTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP; E: QTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP; D: IQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP; G: QTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP; F: QTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP; H: IQTQQLHAAMADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGSDVANAVLDGADCIMLSGETAKGDYPLEAVRMQHLIAREAEAAMFHRKLFEELVRASSHSTDLMEAMAMGSVEASYKCLAAALIVLTESGRSAHQVARYRPRAPIIAVTRNPQTARQAHLYRGIFPVLCKDPVQEAWAEDVDLRVNFAMNVGKARGFFKKGDVVIVLTGWRPGSGFTNTMRVVPVP
Distance of aggregation	10 Å
Dynamic mode	No

• Minimal score value: -3.9389
• Maximal score value: 1.746
• Average score: -0.7399
• Total score value: -3054.4143

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
12	I	C	1.2173
13	Q	C	-0.1947
14	T	C	-0.2890
15	Q	C	-0.3590
16	Q	C	0.0000
17	L	C	0.0102
18	H	C	-0.2690
19	A	C	0.0000
20	A	C	-0.1274
21	M	C	-0.1778
22	A	C	-0.2578
23	D	C	-0.7311
24	T	C	-0.4721
25	F	C	0.1156
26	L	C	0.0000
27	E	C	-0.5715
28	H	C	0.0000
29	M	C	-0.2036
30	C	C	0.0000
31	R	C	-0.7440
32	L	C	0.0000
33	D	C	-0.9963
34	I	C	0.0000
35	D	C	-1.2259
36	S	C	0.0000
37	P	C	-0.4622
38	P	C	-0.2592
39	I	C	0.1309
40	T	C	-0.0460
41	A	C	0.0000
42	R	C	0.0000
43	N	C	-0.1678
44	T	C	0.0000
45	G	C	0.0000
46	I	C	0.0000
47	I	C	0.0000
48	C	C	0.0000
49	T	C	0.0000
50	I	C	0.0000
51	G	C	0.0000
52	P	C	-0.8407
53	A	C	-1.1116
54	S	C	0.0000
55	R	C	-1.0772
56	S	C	-1.0572
57	V	C	-1.5448
58	E	C	-2.4110
59	T	C	-1.6757
60	L	C	0.0000
61	K	C	-2.6910
62	E	C	-3.0476
63	M	C	0.0000
64	I	C	0.0000
65	K	C	-2.6725
66	S	C	0.0000
67	G	C	0.0000
68	M	C	0.0000
69	N	C	0.0000
70	V	C	0.0000
71	A	C	0.0000
72	R	C	0.0000
73	L	C	0.0000
74	N	C	-0.9657
75	F	C	0.0000
76	S	C	-1.0874
77	H	C	-1.4662
78	G	C	-1.3424
79	T	C	-1.1605
80	H	C	-1.6267
81	E	C	-2.3266
82	Y	C	-1.6254
83	H	C	0.0000
84	A	C	-1.9515
85	E	C	-2.8752
86	T	C	0.0000
87	I	C	0.0000
88	K	C	-2.6322
89	N	C	-2.2352
90	V	C	0.0000
91	R	C	-2.0694
92	T	C	-1.7131
93	A	C	0.0000
94	T	C	0.0000
95	E	C	-2.1084
96	S	C	-1.1483
97	F	C	-0.6405
98	A	C	-0.8020
99	S	C	-0.8343
100	D	C	-0.9890
101	P	C	-0.5653
102	I	C	0.0642
103	L	C	0.8313
104	Y	C	0.0000
105	R	C	-0.3615
106	P	C	0.0000
107	V	C	0.0000
108	A	C	0.0000
109	V	C	0.0000
110	A	C	0.0000
111	L	C	0.0000
112	D	C	0.0000
113	T	C	0.0000
114	K	C	-1.2149
115	G	C	0.0000
116	P	C	-0.4098
117	E	C	-0.7874
118	I	C	0.0000
119	R	C	-1.7571
120	T	C	0.0000
121	G	C	0.0000
122	L	C	-1.5213
123	I	C	-1.7848
124	K	C	-2.1945
125	G	C	-1.5121
128	T	C	-0.9489
129	A	C	-1.0393
130	E	C	-2.5323
131	V	C	-2.4462
132	E	C	-3.2101
133	L	C	0.0000
134	K	C	-3.7106
135	K	C	-3.2797
136	G	C	-2.3281
137	A	C	-2.1668
138	T	C	-1.9340
139	L	C	0.0000
140	K	C	-1.4858
141	I	C	0.0000
142	T	C	-0.9596
143	L	C	-1.9009
144	D	C	-2.4619
145	N	C	-2.5207
146	A	C	-1.3091
147	Y	C	-1.2325
148	M	C	-1.6685
149	E	C	-2.4603
150	K	C	-2.1229
151	C	C	0.0000
152	D	C	-2.6047
153	E	C	-3.5178
154	N	C	-2.3198
155	I	C	-1.3420
156	L	C	0.0000
157	W	C	0.0000
158	L	C	0.0000
159	D	C	-2.6992
160	Y	C	0.0000
161	K	C	-2.9961
162	N	C	-2.0687
163	I	C	0.0000
164	C	C	0.0000
165	K	C	-2.5639
166	V	C	-1.2839
167	V	C	0.0000
168	E	C	-1.8428
169	V	C	-0.1511
170	G	C	-0.8282
171	S	C	-0.9091
172	K	C	-1.2558
173	I	C	0.0000
174	Y	C	-0.4056
175	V	C	0.0000
176	D	C	-1.3202
177	D	C	-1.6380
178	G	C	-0.8563
179	L	C	-0.8222
180	I	C	0.0000
181	S	C	0.0000
182	L	C	0.0000
183	Q	C	-1.4754
184	V	C	0.0000
185	K	C	-1.8752
186	Q	C	-1.9611
187	K	C	-1.6525
188	G	C	-1.0746
189	A	C	-1.0331
190	D	C	-2.2366
191	F	C	-0.7408
192	L	C	0.0000
193	V	C	-1.0931
194	T	C	0.0000
195	E	C	-2.4879
196	V	C	0.0000
197	E	C	-2.2750
198	N	C	-1.9059
199	G	C	-2.1986
200	G	C	-1.8281
201	S	C	-1.9439
202	L	C	0.0000
203	G	C	-1.3057
204	S	C	-1.5320
205	K	C	-2.3191
206	K	C	-1.7276
207	G	C	-1.4995
208	V	C	0.0000
209	N	C	0.0000
210	L	C	0.0000
211	P	C	-0.5167
212	G	C	-0.8320
213	A	C	-0.8871
214	A	C	-0.4593
215	V	C	-0.7502
216	D	C	-1.6810
217	L	C	-0.7187
218	P	C	-0.5764
219	A	C	-0.6304
220	V	C	-0.6725
221	S	C	-1.3701
222	E	C	-2.5738
223	K	C	-2.7072
224	D	C	0.0000
225	I	C	-1.3927
226	Q	C	-1.9555
227	D	C	0.0000
228	L	C	0.0000
229	K	C	-2.1262
230	F	C	-1.4957
231	G	C	0.0000
232	V	C	0.0000
233	E	C	-2.9269
234	Q	C	-2.1836
235	D	C	-2.5478
236	V	C	0.0000
237	D	C	0.0000
238	M	C	0.0000
239	V	C	0.0000
240	F	C	0.0000
241	A	C	0.0000
242	S	C	0.0000
243	F	C	-0.2986
244	I	C	0.0000
245	R	C	-1.4661
246	K	C	-2.1962
247	A	C	-1.8578
248	S	C	-1.5671
249	D	C	0.0000
250	V	C	0.0000
251	H	C	-2.5670
252	E	C	-2.6422
253	V	C	0.0000
254	R	C	-2.8683
255	K	C	-3.2338
256	V	C	0.0000
257	L	C	0.0000
258	G	C	-3.2151
259	E	C	-3.8173
260	K	C	-3.8960
261	G	C	0.0000
262	K	C	-3.9058
263	N	C	-2.8794
264	I	C	0.0000
265	K	C	-1.2531
266	I	C	0.0000
267	I	C	0.0000
268	S	C	0.0000
269	K	C	0.0000
270	I	C	0.0000
271	E	C	0.0000
272	N	C	-1.0113
273	H	C	-1.6650
274	E	C	-2.2730
275	G	C	0.0000
276	V	C	0.0000
277	R	C	-3.2487
278	R	C	-2.8742
279	F	C	0.0000
280	D	C	-3.2124
281	E	C	-2.6492
282	I	C	0.0000
283	L	C	0.0000
284	E	C	-2.5478
285	A	C	-1.7454
286	S	C	0.0000
287	D	C	-0.9865
288	G	C	0.0000
289	I	C	0.0000
290	M	C	0.0000
291	V	C	0.0000
292	A	C	0.0000
293	R	C	0.0000
294	G	C	-0.5135
295	D	C	-0.6325
296	L	C	0.0000
297	G	C	-0.5981
298	I	C	-0.4746
299	E	C	-0.6193
300	I	C	0.0000
301	P	C	-0.3130
302	A	C	-0.4176
303	E	C	-0.3575
304	K	C	-0.4621
305	V	C	0.0000
306	F	C	0.0000
307	L	C	0.0000
308	A	C	0.0000
309	Q	C	0.0000
310	K	C	0.0000
311	M	C	0.0000
312	M	C	0.0000
313	I	C	0.0000
314	G	C	0.0000
315	R	C	-1.3586
316	C	C	0.0000
317	N	C	0.0000
318	R	C	-1.0923
319	A	C	-0.8877
320	G	C	-0.6526
321	K	C	-0.9902
322	P	C	0.0000
323	V	C	0.0000
324	I	C	0.0000
325	C	C	0.0000
326	A	C	0.0000
327	T	C	-0.2639
328	Q	C	-0.4060
329	M	C	0.0000
330	L	C	0.0000
331	E	C	-1.0906
332	S	C	-1.2275
333	M	C	0.0000
334	I	C	-1.8914
335	K	C	-2.8883
336	K	C	-2.3361
337	P	C	0.0000
338	R	C	-1.5817
339	P	C	0.0000
340	T	C	0.0000
341	R	C	-0.4440
342	A	C	0.0000
343	E	C	0.0000
344	G	C	-0.3033
345	S	C	0.0000
346	D	C	0.0000
347	V	C	0.0000
348	A	C	0.0000
349	N	C	0.0000
350	A	C	0.0000
351	V	C	0.0000
352	L	C	0.1583
353	D	C	-0.0895
354	G	C	0.0000
355	A	C	0.0000
356	D	C	0.0000
357	C	C	0.0000
358	I	C	0.0000
359	M	C	0.0000
360	L	C	0.0000
361	S	C	-0.4930
362	G	C	0.0000
363	E	C	0.0000
364	T	C	0.0000
365	A	C	-1.1801
366	K	C	-2.2849
367	G	C	0.0000
368	D	C	-2.6404
369	Y	C	-1.5423
370	P	C	0.0000
371	L	C	-1.1161
372	E	C	-1.3219
373	A	C	0.0000
374	V	C	0.0000
375	R	C	-1.8683
376	M	C	0.0000
377	Q	C	0.0000
378	H	C	-0.6888
379	L	C	-0.2686
380	I	C	0.0000
381	A	C	0.0000
382	R	C	-0.2764
383	E	C	0.0000
384	A	C	0.0000
385	E	C	0.0000
386	A	C	0.0000
387	A	C	0.0000
388	M	C	0.0000
389	F	C	0.0000
390	H	C	0.0000
391	R	C	-0.5637
392	K	C	-0.4856
393	L	C	-0.1991
394	F	C	0.0000
395	E	C	-0.6381
396	E	C	-0.7108
397	L	C	0.0000
398	V	C	0.0000
399	R	C	-0.9690
400	A	C	-0.7400
401	S	C	0.0000
402	S	C	-0.7963
403	H	C	-1.1756
404	S	C	-0.9510
405	T	C	-0.6830
406	D	C	-1.1940
407	L	C	-0.1429
408	M	C	0.0000
409	E	C	0.0000
410	A	C	0.0000
411	M	C	0.0000
412	A	C	0.0000
413	M	C	0.0000
414	G	C	0.0000
415	S	C	0.0000
416	V	C	0.0000
417	E	C	0.0000
418	A	C	0.0000
419	S	C	0.0000
420	Y	C	0.3888
421	K	C	0.0000
422	C	C	0.0000
423	L	C	0.7359
424	A	C	0.0000
425	A	C	-0.0562
426	A	C	0.0000
427	L	C	0.0000
428	I	C	0.0000
429	V	C	0.0000
430	L	C	0.0000
431	T	C	0.0000
432	E	C	-2.4826
433	S	C	-1.8755
434	G	C	0.0000
435	R	C	-2.2541
436	S	C	0.0000
437	A	C	0.0000
438	H	C	-0.8692
439	Q	C	0.0000
440	V	C	0.0000
441	A	C	0.0000
442	R	C	-0.4000
443	Y	C	0.0000
444	R	C	0.0000
445	P	C	0.0000
446	R	C	-0.0509
447	A	C	0.0000
448	P	C	0.0000
449	I	C	0.0000
450	I	C	0.0000
451	A	C	0.0000
452	V	C	0.0000
453	T	C	0.0000
454	R	C	-1.3934
455	N	C	-1.6138
456	P	C	-1.1539
457	Q	C	-1.5378
458	T	C	-1.4771
459	A	C	0.0000
460	R	C	-0.6682
461	Q	C	-0.6652
462	A	C	0.0000
463	H	C	0.0000
464	L	C	0.0000
465	Y	C	-0.0055
466	R	C	0.0000
467	G	C	0.0000
468	I	C	0.0000
469	F	C	0.1574
470	P	C	0.0000
471	V	C	0.0000
472	L	C	-0.5722
473	C	C	0.0000
474	K	C	-2.1831
475	D	C	-1.7041
476	P	C	-0.6956
477	V	C	0.3270
478	Q	C	-1.1002
479	E	C	-1.8290
480	A	C	-1.1760
481	W	C	-1.1282
482	A	C	-1.4925
483	E	C	-2.1869
484	D	C	0.0000
485	V	C	0.0000
486	D	C	-1.8728
487	L	C	-1.0323
488	R	C	0.0000
489	V	C	0.0000
490	N	C	-1.3001
491	F	C	-0.9361
492	A	C	0.0000
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