BMRB: 36136

Designed protein dRafX6

Authors

Liu, R.

Assembly

dRafX6

Entity

1. dRafX6 (polymer, Thiol state: not present), 79 monomers, 8748.244 Da Detail

MADRTIEVEL PNKQRTVINV RPGLTLKEAL KKALKVRGID PNKVQVYLLL SGDDGAEQPL SLNHPAERLI GKKLKVVPL

Formula weight

8748.244 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 550, ¹³C: 261, ¹⁵N: 69 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	ALA	H	H	7.572
2	1	2	ALA	HA	H	4.947
3	1	3	ASP	HA	H	4.671
4	1	3	ASP	HB2	H	2.693
5	1	3	ASP	HB3	H	2.581
6	1	3	ASP	CA	C	54.109
7	1	3	ASP	CB	C	41.234
8	1	4	ARG	H	H	8.816
9	1	4	ARG	HA	H	4.493
10	1	4	ARG	HB2	H	2.011
11	1	4	ARG	HB3	H	1.862
12	1	4	ARG	HG2	H	1.683
13	1	4	ARG	HG3	H	0
14	1	4	ARG	HD2	H	3.319
15	1	4	ARG	HD3	H	3.231
16	1	4	ARG	CA	C	55.042
17	1	4	ARG	CB	C	32.049
18	1	4	ARG	CG	C	26.137
19	1	4	ARG	CD	C	42.878
20	1	4	ARG	N	N	122.671
21	1	5	THR	H	H	7.729
22	1	5	THR	HA	H	5.625
23	1	5	THR	HB	H	4.053
24	1	5	THR	HG21	H	1.025
25	1	5	THR	HG22	H	1.025
26	1	5	THR	HG23	H	1.025
27	1	5	THR	CA	C	59.214
28	1	5	THR	CB	C	72.521
29	1	5	THR	CG2	C	21.438
30	1	5	THR	N	N	109.807
31	1	6	ILE	H	H	8.418
32	1	6	ILE	HA	H	4.289
33	1	6	ILE	HB	H	1.299
34	1	6	ILE	HG12	H	0.97
35	1	6	ILE	HG13	H	0.97
36	1	6	ILE	HG21	H	0.779
37	1	6	ILE	HG22	H	0.779
38	1	6	ILE	HG23	H	0.779
39	1	6	ILE	HD11	H	0.574
40	1	6	ILE	HD12	H	0.574
41	1	6	ILE	HD13	H	0.574
42	1	6	ILE	CA	C	56.7
43	1	6	ILE	CB	C	41.939
44	1	6	ILE	CG1	C	26.177
45	1	6	ILE	CG2	C	17.304
46	1	6	ILE	CD1	C	13.806
47	1	6	ILE	N	N	117.6
48	1	7	GLU	H	H	7.896
49	1	7	GLU	HA	H	4.761
50	1	7	GLU	HB2	H	2.033
51	1	7	GLU	HB3	H	2.033
52	1	7	GLU	HG2	H	2.224
53	1	7	GLU	HG3	H	2.097
54	1	7	GLU	CA	C	55.757
55	1	7	GLU	CB	C	35.373
56	1	7	GLU	CG	C	36.514
57	1	7	GLU	N	N	126.528
58	1	8	VAL	H	H	8.867
59	1	8	VAL	HA	H	4.603
60	1	8	VAL	HB	H	1.789
61	1	8	VAL	HG11	H	0.685
62	1	8	VAL	HG12	H	0.685
63	1	8	VAL	HG13	H	0.685
64	1	8	VAL	HG21	H	0.685
65	1	8	VAL	HG22	H	0.685
66	1	8	VAL	HG23	H	0.685
67	1	8	VAL	CA	C	55.496
68	1	8	VAL	CB	C	34.165
69	1	8	VAL	CG1	C	24.323
70	1	8	VAL	CG2	C	24.323
71	1	8	VAL	N	N	123.837
72	1	9	GLU	H	H	9.185
73	1	9	GLU	HA	H	4.686
74	1	9	GLU	HB2	H	2.075
75	1	9	GLU	HB3	H	1.99
76	1	9	GLU	HG2	H	2.215
77	1	9	GLU	HG3	H	2.215
78	1	9	GLU	CA	C	55.595
79	1	9	GLU	CB	C	30.049
80	1	9	GLU	CG	C	36.089
81	1	9	GLU	N	N	127.653
82	1	10	LEU	H	H	8.62
83	1	10	LEU	HA	H	4.724
84	1	10	LEU	HB2	H	1.857
85	1	10	LEU	HB3	H	1.549
86	1	10	LEU	CA	C	52.521
87	1	10	LEU	CB	C	41.562
88	1	10	LEU	N	N	126.701
89	1	12	ASN	HA	H	4.442
90	1	12	ASN	HB2	H	2.973
91	1	12	ASN	HB3	H	2.973
92	1	12	ASN	CA	C	43.355
93	1	12	ASN	CB	C	36.616
94	1	13	LYS	H	H	8.628
95	1	13	LYS	HA	H	3.875
96	1	13	LYS	HB2	H	0
97	1	13	LYS	HB3	H	2.001
98	1	13	LYS	HG2	H	1.47
99	1	13	LYS	HG3	H	1.387
100	1	13	LYS	HD2	H	1.664
101	1	13	LYS	HD3	H	1.664
102	1	13	LYS	HE2	H	2.982
103	1	13	LYS	HE3	H	2.982
104	1	13	LYS	CA	C	57.191
105	1	13	LYS	CB	C	48.928
106	1	13	LYS	CG	C	24.628
107	1	13	LYS	CD	C	28.09
108	1	13	LYS	CE	C	41.655
109	1	13	LYS	N	N	111.709
110	1	14	GLN	H	H	7.087
111	1	14	GLN	HA	H	4.473
112	1	14	GLN	HB2	H	2.054
113	1	14	GLN	HB3	H	1.888
114	1	14	GLN	HG2	H	2.42
115	1	14	GLN	HG3	H	2.35
116	1	14	GLN	CA	C	54.88
117	1	14	GLN	CB	C	29.801
118	1	14	GLN	CG	C	33.958
119	1	14	GLN	N	N	117.792
120	1	15	ARG	H	H	8.591
121	1	15	ARG	HA	H	5.346
122	1	15	ARG	HB2	H	1.769
123	1	15	ARG	HB3	H	1.769
124	1	15	ARG	HG2	H	1.526
125	1	15	ARG	HG3	H	1.526
126	1	15	ARG	HD2	H	3.141
127	1	15	ARG	HD3	H	3.141
128	1	15	ARG	CA	C	54.684
129	1	15	ARG	CB	C	32.521
130	1	15	ARG	CG	C	26.431
131	1	15	ARG	CD	C	42.898
132	1	15	ARG	N	N	120.328
133	1	16	THR	H	H	8.959
134	1	16	THR	HA	H	4.709
135	1	16	THR	HB	H	3.899
136	1	16	THR	HG21	H	0.888
137	1	16	THR	HG22	H	0.888
138	1	16	THR	HG23	H	0.888
139	1	16	THR	CA	C	59.885
140	1	16	THR	CB	C	69.775
141	1	16	THR	CG2	C	17.908
142	1	16	THR	N	N	116.704
143	1	17	VAL	H	H	8.087
144	1	17	VAL	HA	H	4.938
145	1	17	VAL	HB	H	1.912
146	1	17	VAL	HG11	H	0.905
147	1	17	VAL	HG12	H	0.905
148	1	17	VAL	HG13	H	0.905
149	1	17	VAL	HG21	H	0.905
150	1	17	VAL	HG22	H	0.905
151	1	17	VAL	HG23	H	0.905
152	1	17	VAL	CA	C	56.351
153	1	17	VAL	CB	C	33.893
154	1	17	VAL	CG1	C	20.658
155	1	17	VAL	CG2	C	20.658
156	1	17	VAL	N	N	123.819
157	1	18	ILE	H	H	8.857
158	1	18	ILE	HA	H	4.6
159	1	18	ILE	HB	H	1.797
160	1	18	ILE	HG12	H	1.327
161	1	18	ILE	HG13	H	1.066
162	1	18	ILE	HG21	H	0.834
163	1	18	ILE	HG22	H	0.834
164	1	18	ILE	HG23	H	0.834
165	1	18	ILE	HD11	H	0.634
166	1	18	ILE	HD12	H	0.634
167	1	18	ILE	HD13	H	0.634
168	1	18	ILE	CA	C	53.579
169	1	18	ILE	CB	C	40.324
170	1	18	ILE	CG1	C	26.203
171	1	18	ILE	CG2	C	17.472
172	1	18	ILE	CD1	C	12.687
173	1	18	ILE	N	N	122.849
174	1	19	ASN	H	H	8.703
175	1	19	ASN	HA	H	4.964
176	1	19	ASN	HB2	H	2.689
177	1	19	ASN	HB3	H	2.689
178	1	19	ASN	CA	C	50.08
179	1	19	ASN	CB	C	39.53
180	1	19	ASN	N	N	122.825
181	1	20	VAL	H	H	8.506
182	1	20	VAL	HA	H	4.007
183	1	20	VAL	HB	H	1.769
184	1	20	VAL	HG11	H	0.696
185	1	20	VAL	HG12	H	0.696
186	1	20	VAL	HG13	H	0.696
187	1	20	VAL	HG21	H	0.696
188	1	20	VAL	HG22	H	0.696
189	1	20	VAL	HG23	H	0.696
190	1	20	VAL	CA	C	61.892
191	1	20	VAL	CB	C	33.15
192	1	20	VAL	CG1	C	61.878
193	1	20	VAL	CG2	C	61.878
194	1	20	VAL	N	N	121.134
195	1	21	ARG	H	H	7.187
196	1	21	ARG	HA	H	4.784
197	1	21	ARG	HB2	H	1.942
198	1	21	ARG	HB3	H	1.671
199	1	21	ARG	CA	C	57.375
200	1	21	ARG	CB	C	29.798
201	1	21	ARG	N	N	125.317
202	1	22	PRO	HA	H	4.253
203	1	22	PRO	HB2	H	2.328
204	1	22	PRO	HB3	H	1.858
205	1	22	PRO	HG2	H	2.11
206	1	22	PRO	HG3	H	1.929
207	1	22	PRO	HD2	H	3.833
208	1	22	PRO	HD3	H	3.606
209	1	22	PRO	CA	C	63.608
210	1	22	PRO	CB	C	31.766
211	1	22	PRO	CG	C	27.646
212	1	22	PRO	CD	C	50.509
213	1	23	GLY	H	H	8.71
214	1	23	GLY	HA2	H	4.181
215	1	23	GLY	HA3	H	3.705
216	1	23	GLY	CA	C	45.34
217	1	23	GLY	N	N	110.465
218	1	24	LEU	H	H	7.235
219	1	24	LEU	HA	H	4.696
220	1	24	LEU	HB2	H	1.742
221	1	24	LEU	HB3	H	1.611
222	1	24	LEU	CA	C	54.347
223	1	24	LEU	CB	C	43.698
224	1	24	LEU	CG	C	25.69
225	1	24	LEU	CD1	C	23.116
226	1	24	LEU	CD2	C	22.7
227	1	24	LEU	N	N	119.072
228	1	25	THR	H	H	8.187
229	1	25	THR	HA	H	4.648
230	1	25	THR	HB	H	4.548
231	1	25	THR	HG21	H	1.339
232	1	25	THR	HG22	H	1.339
233	1	25	THR	HG23	H	1.339
234	1	25	THR	CA	C	60.811
235	1	25	THR	CB	C	72.521
236	1	25	THR	CG2	C	21.624
237	1	25	THR	N	N	113.963
238	1	26	LEU	H	H	8.871
239	1	26	LEU	HA	H	3.909
240	1	26	LEU	HB2	H	1.852
241	1	26	LEU	HB3	H	1.533
242	1	26	LEU	HG	H	1.401
243	1	26	LEU	HD11	H	0.747
244	1	26	LEU	HD12	H	0.747
245	1	26	LEU	HD13	H	0.747
246	1	26	LEU	HD21	H	0.747
247	1	26	LEU	HD22	H	0.747
248	1	26	LEU	HD23	H	0.747
249	1	26	LEU	CA	C	58.444
250	1	26	LEU	CB	C	41.296
251	1	26	LEU	CG	C	25.03
252	1	26	LEU	CD1	C	23.138
253	1	26	LEU	CD2	C	22.263
254	1	26	LEU	N	N	121.934
255	1	27	LYS	H	H	8.644
256	1	27	LYS	HA	H	3.616
257	1	27	LYS	HB2	H	1.958
258	1	27	LYS	HB3	H	1.787
259	1	27	LYS	HG2	H	1.375
260	1	27	LYS	HG3	H	1.243
261	1	27	LYS	HD2	H	1.633
262	1	27	LYS	HD3	H	1.633
263	1	27	LYS	HE2	H	2.849
264	1	27	LYS	HE3	H	2.849
265	1	27	LYS	CA	C	60.434
266	1	27	LYS	CB	C	32.169
267	1	27	LYS	CG	C	24.781
268	1	27	LYS	CD	C	29.164
269	1	27	LYS	CE	C	41.52
270	1	27	LYS	N	N	116.897
271	1	28	GLU	H	H	7.494
272	1	28	GLU	HA	H	3.939
273	1	28	GLU	HB2	H	2.238
274	1	28	GLU	HB3	H	2.071
275	1	28	GLU	HG2	H	0
276	1	28	GLU	HG3	H	2.287
277	1	28	GLU	CA	C	50.549
278	1	28	GLU	CB	C	30.05
279	1	28	GLU	CG	C	36.385
280	1	28	GLU	N	N	115.989
281	1	29	ALA	H	H	8.636
282	1	29	ALA	HA	H	4.216
283	1	29	ALA	HB1	H	1.359
284	1	29	ALA	HB2	H	1.359
285	1	29	ALA	HB3	H	1.359
286	1	29	ALA	CA	C	53.768
287	1	29	ALA	CB	C	17.512
288	1	29	ALA	N	N	120.878
289	1	30	LEU	H	H	7.977
290	1	30	LEU	HA	H	4.141
291	1	30	LEU	HB2	H	1.737
292	1	30	LEU	HB3	H	1.397
293	1	30	LEU	HD11	H	0.66
294	1	30	LEU	HD12	H	0.66
295	1	30	LEU	HD13	H	0.66
296	1	30	LEU	HD21	H	0.66
297	1	30	LEU	HD22	H	0.66
298	1	30	LEU	HD23	H	0.66
299	1	30	LEU	CA	C	55.278
300	1	30	LEU	CB	C	41.064
301	1	30	LEU	CG	C	25.701
302	1	30	LEU	CD1	C	23.208
303	1	30	LEU	CD2	C	22.661
304	1	30	LEU	N	N	115.076
305	1	31	LYS	H	H	7.4
306	1	31	LYS	HA	H	3.686
307	1	31	LYS	HB2	H	2.038
308	1	31	LYS	HB3	H	1.895
309	1	31	LYS	HG2	H	1.472
310	1	31	LYS	HG3	H	1.408
311	1	31	LYS	HD2	H	1.718
312	1	31	LYS	HD3	H	1.718
313	1	31	LYS	HE2	H	2.933
314	1	31	LYS	HE3	H	2.933
315	1	31	LYS	CA	C	61.763
316	1	31	LYS	CB	C	32.538
317	1	31	LYS	CG	C	24.24
318	1	31	LYS	CD	C	29.334
319	1	31	LYS	CE	C	41.558
320	1	31	LYS	N	N	117.911
321	1	32	LYS	H	H	8.442
322	1	32	LYS	HA	H	4.014
323	1	32	LYS	HB2	H	1.872
324	1	32	LYS	HB3	H	1.872
325	1	32	LYS	HG2	H	1.59
326	1	32	LYS	HG3	H	0
327	1	32	LYS	HD2	H	1.725
328	1	32	LYS	HD3	H	1.725
329	1	32	LYS	HE2	H	3.002
330	1	32	LYS	HE3	H	3.002
331	1	32	LYS	CA	C	59.978
332	1	32	LYS	CB	C	31.431
333	1	32	LYS	CG	C	24.895
334	1	32	LYS	CD	C	29.328
335	1	32	LYS	CE	C	61.901
336	1	32	LYS	N	N	118.628
337	1	33	ALA	H	H	8.348
338	1	33	ALA	HA	H	4.02
339	1	33	ALA	HB1	H	1.351
340	1	33	ALA	HB2	H	1.351
341	1	33	ALA	HB3	H	1.351
342	1	33	ALA	CA	C	53.979
343	1	33	ALA	CB	C	17.769
344	1	33	ALA	N	N	120.532
345	1	34	LEU	H	H	7.94
346	1	34	LEU	HA	H	4.067
347	1	34	LEU	HB2	H	1.742
348	1	34	LEU	HB3	H	1.507
349	1	34	LEU	HG	H	1.936
350	1	34	LEU	HD11	H	0.749
351	1	34	LEU	HD12	H	0.749
352	1	34	LEU	HD13	H	0.749
353	1	34	LEU	HD21	H	0.664
354	1	34	LEU	HD22	H	0.664
355	1	34	LEU	HD23	H	0.664
356	1	34	LEU	CA	C	57.046
357	1	34	LEU	CB	C	39.04
358	1	34	LEU	CG	C	25.448
359	1	34	LEU	CD1	C	22.462
360	1	34	LEU	CD2	C	21.55
361	1	34	LEU	N	N	114.328
362	1	35	LYS	H	H	8.516
363	1	35	LYS	HA	H	4.149
364	1	35	LYS	HB2	H	1.952
365	1	35	LYS	HB3	H	1.952
366	1	35	LYS	HG2	H	1.631
367	1	35	LYS	HG3	H	1.47
368	1	35	LYS	HD2	H	1.73
369	1	35	LYS	HD3	H	0
370	1	35	LYS	HE2	H	2.968
371	1	35	LYS	HE3	H	2.968
372	1	35	LYS	CA	C	59.784
373	1	35	LYS	CB	C	31.55
374	1	35	LYS	CG	C	25.071
375	1	35	LYS	CD	C	29.003
376	1	35	LYS	CE	C	41.465
377	1	35	LYS	N	N	121.343
378	1	36	VAL	H	H	8.226
379	1	36	VAL	HA	H	4.067
380	1	36	VAL	HB	H	2.273
381	1	36	VAL	HG11	H	1.072
382	1	36	VAL	HG12	H	1.072
383	1	36	VAL	HG13	H	1.072
384	1	36	VAL	HG21	H	1.072
385	1	36	VAL	HG22	H	1.072
386	1	36	VAL	HG23	H	1.072
387	1	36	VAL	CA	C	57.691
388	1	36	VAL	CB	C	31.292
389	1	36	VAL	CG1	C	20.566
390	1	36	VAL	CG2	C	20.566
391	1	36	VAL	N	N	116.329
392	1	37	ARG	H	H	7.029
393	1	37	ARG	HA	H	4.416
394	1	37	ARG	HB2	H	2.18
395	1	37	ARG	HB3	H	1.574
396	1	37	ARG	HG2	H	1.785
397	1	37	ARG	HG3	H	1.66
398	1	37	ARG	HD2	H	0
399	1	37	ARG	HD3	H	3.042
400	1	37	ARG	CA	C	55.111
401	1	37	ARG	CB	C	30.255
402	1	37	ARG	CG	C	27.918
403	1	37	ARG	CD	C	42.852
404	1	37	ARG	N	N	118.486
405	1	38	GLY	H	H	7.964
406	1	38	GLY	HA2	H	3.995
407	1	38	GLY	HA3	H	3.82
408	1	38	GLY	CA	C	45.887
409	1	38	GLY	N	N	108.65
410	1	39	ILE	H	H	7.882
411	1	39	ILE	HA	H	4.01
412	1	39	ILE	HB	H	1.46
413	1	39	ILE	HG21	H	0.813
414	1	39	ILE	HG22	H	0.813
415	1	39	ILE	HG23	H	0.813
416	1	39	ILE	HD11	H	0.604
417	1	39	ILE	HD12	H	0.604
418	1	39	ILE	HD13	H	0.604
419	1	39	ILE	CA	C	55.838
420	1	39	ILE	CB	C	28.968
421	1	39	ILE	CG1	C	26.687
422	1	39	ILE	CG2	C	17.457
423	1	39	ILE	CD1	C	13.604
424	1	39	ILE	N	N	121.871
425	1	40	ASP	H	H	8.59
426	1	40	ASP	HA	H	4.673
427	1	40	ASP	HB2	H	2.83
428	1	40	ASP	HB3	H	2.587
429	1	40	ASP	CA	C	50.649
430	1	40	ASP	N	N	128.278
431	1	41	PRO	HA	H	4.07
432	1	41	PRO	HB2	H	2.08
433	1	41	PRO	HB3	H	1.903
434	1	41	PRO	HG2	H	1.994
435	1	41	PRO	HD2	H	4.246
436	1	41	PRO	HD3	H	3.904
437	1	41	PRO	CA	C	60.986
438	1	41	PRO	CB	C	36.06
439	1	41	PRO	CG	C	27.23
440	1	41	PRO	CD	C	50.652
441	1	42	ASN	H	H	8.496
442	1	42	ASN	HA	H	4.659
443	1	42	ASN	HB2	H	2.831
444	1	42	ASN	HB3	H	2.752
445	1	42	ASN	CA	C	53.452
446	1	42	ASN	CB	C	38.579
447	1	42	ASN	N	N	111.914
448	1	43	LYS	H	H	8.098
449	1	43	LYS	HA	H	4.634
450	1	43	LYS	HB2	H	2.217
451	1	43	LYS	HB3	H	1.691
452	1	43	LYS	HG2	H	1.243
453	1	43	LYS	HD2	H	1.647
454	1	43	LYS	HD3	H	1.647
455	1	43	LYS	HE2	H	2.927
456	1	43	LYS	HE3	H	2.927
457	1	43	LYS	HZ1	H	7.544
458	1	43	LYS	HZ2	H	7.544
459	1	43	LYS	HZ3	H	7.544
460	1	43	LYS	CA	C	54.252
461	1	43	LYS	CB	C	32.995
462	1	43	LYS	CG	C	24.807
463	1	43	LYS	CD	C	28.595
464	1	43	LYS	CE	C	41.767
465	1	43	LYS	N	N	120.135
466	1	44	VAL	H	H	7.307
467	1	44	VAL	HA	H	5.078
468	1	44	VAL	HB	H	1.888
469	1	44	VAL	HG11	H	0.658
470	1	44	VAL	HG12	H	0.658
471	1	44	VAL	HG13	H	0.658
472	1	44	VAL	HG21	H	0.604
473	1	44	VAL	HG22	H	0.604
474	1	44	VAL	HG23	H	0.604
475	1	44	VAL	CA	C	38.73
476	1	44	VAL	CB	C	35.85
477	1	44	VAL	CG1	C	21.181
478	1	44	VAL	CG2	C	20.065
479	1	44	VAL	N	N	111.191
480	1	45	GLN	H	H	8.858
481	1	45	GLN	HA	H	4.481
482	1	45	GLN	HB2	H	1.948
483	1	45	GLN	HB3	H	1.822
484	1	45	GLN	HG2	H	2.133
485	1	45	GLN	HG3	H	1.815
486	1	45	GLN	CA	C	53.915
487	1	45	GLN	CB	C	31.19
488	1	45	GLN	CG	C	34.122
489	1	45	GLN	N	N	119.788
490	1	46	VAL	H	H	9.04
491	1	46	VAL	HA	H	4.964
492	1	46	VAL	HB	H	1.685
493	1	46	VAL	HG11	H	0.847
494	1	46	VAL	HG12	H	0.847
495	1	46	VAL	HG13	H	0.847
496	1	46	VAL	HG21	H	0.724
497	1	46	VAL	HG22	H	0.724
498	1	46	VAL	HG23	H	0.724
499	1	46	VAL	CA	C	60.296
500	1	46	VAL	CB	C	32.521
501	1	46	VAL	CG1	C	22.83
502	1	46	VAL	CG2	C	21.908
503	1	46	VAL	N	N	123.13
504	1	47	TYR	H	H	9.166
505	1	47	TYR	HA	H	5.023
506	1	47	TYR	HB2	H	2.674
507	1	47	TYR	HB3	H	2.497
508	1	47	TYR	HD1	H	6.654
509	1	47	TYR	HD2	H	6.654
510	1	47	TYR	CA	C	55.85
511	1	47	TYR	CB	C	41.889
512	1	47	TYR	N	N	123.368
513	1	48	LEU	H	H	9.361
514	1	48	LEU	HA	H	4.582
515	1	48	LEU	HB2	H	1.858
516	1	48	LEU	HB3	H	1.33
517	1	48	LEU	HG	H	1.454
518	1	48	LEU	HD11	H	0.946
519	1	48	LEU	HD12	H	0.946
520	1	48	LEU	HD13	H	0.946
521	1	48	LEU	HD21	H	0
522	1	48	LEU	HD22	H	0
523	1	48	LEU	HD23	H	0
524	1	48	LEU	CA	C	54.079
525	1	48	LEU	CB	C	43.854
526	1	48	LEU	CG	C	26.946
527	1	48	LEU	CD1	C	25.358
528	1	48	LEU	CD2	C	24.137
529	1	48	LEU	N	N	123.779
530	1	49	LEU	H	H	8.55
531	1	49	LEU	HA	H	4.637
532	1	49	LEU	HB2	H	1.659
533	1	49	LEU	HB3	H	1.447
534	1	49	LEU	HG	H	1.494
535	1	49	LEU	HD11	H	0.786
536	1	49	LEU	HD12	H	0.786
537	1	49	LEU	HD13	H	0.786
538	1	49	LEU	HD21	H	0.786
539	1	49	LEU	HD22	H	0.786
540	1	49	LEU	HD23	H	0.786
541	1	49	LEU	CA	C	54.022
542	1	49	LEU	CB	C	40.495
543	1	49	LEU	CG	C	26.925
544	1	49	LEU	CD1	C	24.629
545	1	49	LEU	CD2	C	23.077
546	1	49	LEU	N	N	127.374
547	1	50	LEU	H	H	8.307
548	1	50	LEU	HA	H	4.366
549	1	50	LEU	HB2	H	1.699
550	1	50	LEU	HB3	H	1.608
551	1	50	LEU	HD11	H	0.891
552	1	50	LEU	HD12	H	0.891
553	1	50	LEU	HD13	H	0.891
554	1	50	LEU	CA	C	48.149
555	1	50	LEU	CB	C	41.973
556	1	50	LEU	CG	C	26.683
557	1	50	LEU	CD1	C	24.628
558	1	50	LEU	CD2	C	22.944
559	1	50	LEU	N	N	124.614
560	1	51	SER	H	H	8.474
561	1	51	SER	HA	H	4.45
562	1	51	SER	HB2	H	3.89
563	1	51	SER	HB3	H	3.89
564	1	51	SER	HG	H	4.8
565	1	51	SER	CA	C	58.043
566	1	51	SER	CB	C	63.448
567	1	51	SER	N	N	115.154
568	1	52	GLY	H	H	8.4
569	1	52	GLY	HA2	H	4.1
570	1	52	GLY	HA3	H	3.908
571	1	52	GLY	CA	C	44.835
572	1	52	GLY	N	N	109.973
573	1	53	ASP	H	H	8.332
574	1	53	ASP	HA	H	4.558
575	1	53	ASP	HB2	H	2.695
576	1	53	ASP	HB3	H	2.511
577	1	53	ASP	CA	C	54.702
578	1	53	ASP	CB	C	37.537
579	1	53	ASP	N	N	120.3
580	1	54	ASP	H	H	8.375
581	1	54	ASP	HA	H	4.541
582	1	54	ASP	HB2	H	2.66
583	1	54	ASP	HB3	H	2.66
584	1	54	ASP	CA	C	54.275
585	1	54	ASP	CB	C	40.601
586	1	54	ASP	N	N	119.08
587	1	55	GLY	H	H	8.17
588	1	55	GLY	HA2	H	3.875
589	1	55	GLY	HA3	H	3.875
590	1	55	GLY	CA	C	45.27
591	1	55	GLY	N	N	109.093
592	1	56	ALA	H	H	7.944
593	1	56	ALA	HA	H	4.327
594	1	56	ALA	HB1	H	1.383
595	1	56	ALA	HB2	H	1.383
596	1	56	ALA	HB3	H	1.383
597	1	56	ALA	CA	C	52.049
598	1	56	ALA	CB	C	19.375
599	1	56	ALA	N	N	123.137
600	1	57	GLU	H	H	8.36
601	1	57	GLU	HA	H	4.908
602	1	57	GLU	HB2	H	1.743
603	1	57	GLU	HB3	H	1.743
604	1	57	GLU	HG2	H	2.095
605	1	57	GLU	HG3	H	2.02
606	1	57	GLU	CA	C	54.894
607	1	57	GLU	CB	C	31.251
608	1	57	GLU	CG	C	35.016
609	1	57	GLU	N	N	119.461
610	1	58	GLN	H	H	8.905
611	1	58	GLN	HA	H	5.114
612	1	58	GLN	HB2	H	2.046
613	1	58	GLN	HB3	H	2.046
614	1	58	GLN	HG2	H	2.353
615	1	58	GLN	HG3	H	2.353
616	1	58	GLN	CA	C	52.04
617	1	58	GLN	N	N	122.611
618	1	59	PRO	HA	H	4.202
619	1	59	PRO	HB2	H	0
620	1	59	PRO	HB3	H	1.837
621	1	59	PRO	HG2	H	2.127
622	1	59	PRO	HG3	H	2.057
623	1	59	PRO	HD2	H	3.977
624	1	59	PRO	HD3	H	3.898
625	1	59	PRO	CA	C	57.97
626	1	59	PRO	CB	C	31.624
627	1	59	PRO	CG	C	27.041
628	1	59	PRO	CD	C	50.789
629	1	60	LEU	H	H	8.118
630	1	60	LEU	HA	H	4.536
631	1	60	LEU	HB2	H	1.123
632	1	60	LEU	HB3	H	1.123
633	1	60	LEU	HG	H	1.51
634	1	60	LEU	HD11	H	0.503
635	1	60	LEU	HD12	H	0.503
636	1	60	LEU	HD13	H	0.503
637	1	60	LEU	HD21	H	0.503
638	1	60	LEU	HD22	H	0.503
639	1	60	LEU	HD23	H	0.503
640	1	60	LEU	CA	C	52.521
641	1	60	LEU	CB	C	45.08
642	1	60	LEU	CG	C	27.447
643	1	60	LEU	CD1	C	25.552
644	1	60	LEU	CD2	C	22.21
645	1	60	LEU	N	N	121.865
646	1	61	SER	H	H	8.708
647	1	61	SER	HA	H	4.509
648	1	61	SER	HB2	H	4.024
649	1	61	SER	HB3	H	3.784
650	1	61	SER	HG	H	4.987
651	1	61	SER	CA	C	56.674
652	1	61	SER	CB	C	63.47
653	1	61	SER	N	N	115.417
654	1	62	LEU	H	H	8.919
655	1	62	LEU	HA	H	4.047
656	1	62	LEU	HB2	H	1.85
657	1	62	LEU	HB3	H	1.492
658	1	62	LEU	HD11	H	0.934
659	1	62	LEU	HD12	H	0.934
660	1	62	LEU	HD13	H	0.934
661	1	62	LEU	HD21	H	0.705
662	1	62	LEU	HD22	H	0.705
663	1	62	LEU	HD23	H	0.705
664	1	62	LEU	CA	C	30.221
665	1	62	LEU	CB	C	40.961
666	1	62	LEU	CG	C	26.904
667	1	62	LEU	CD1	C	24.951
668	1	62	LEU	CD2	C	22.618
669	1	62	LEU	N	N	125.713
670	1	63	ASN	H	H	8.147
671	1	63	ASN	HA	H	4.805
672	1	63	ASN	HB2	H	2.934
673	1	63	ASN	HB3	H	2.722
674	1	63	ASN	CA	C	52.199
675	1	63	ASN	CB	C	38.029
676	1	63	ASN	N	N	114.12
677	1	64	HIS	H	H	7.697
678	1	64	HIS	HA	H	4.401
679	1	64	HIS	HB2	H	3.565
680	1	64	HIS	HB3	H	2.863
681	1	64	HIS	CA	C	55.504
682	1	64	HIS	CB	C	31.714
683	1	64	HIS	N	N	122.943
684	1	65	PRO	HA	H	4.382
685	1	65	PRO	HB2	H	2.35
686	1	65	PRO	HB3	H	1.852
687	1	65	PRO	HG2	H	2.612
688	1	65	PRO	HG3	H	2.612
689	1	65	PRO	HD2	H	3.651
690	1	65	PRO	HD3	H	3.537
691	1	65	PRO	CA	C	63.338
692	1	65	PRO	CB	C	31.747
693	1	65	PRO	CG	C	27.457
694	1	65	PRO	CD	C	49.853
695	1	66	ALA	H	H	8.67
696	1	66	ALA	HA	H	3.8
697	1	66	ALA	HB1	H	1.129
698	1	66	ALA	HB2	H	1.129
699	1	66	ALA	HB3	H	1.129
700	1	66	ALA	CA	C	54.684
701	1	66	ALA	CB	C	17.977
702	1	66	ALA	N	N	129.346
703	1	67	GLU	H	H	9.3
704	1	67	GLU	HA	H	3.84
705	1	67	GLU	HB2	H	2.101
706	1	67	GLU	HB3	H	1.917
707	1	67	GLU	HG2	H	2.29
708	1	67	GLU	HG3	H	2.205
709	1	67	GLU	CA	C	58.459
710	1	67	GLU	CB	C	33.397
711	1	67	GLU	CG	C	33.336
712	1	67	GLU	N	N	115.554
713	1	68	ARG	H	H	7.216
714	1	68	ARG	HA	H	4.308
715	1	68	ARG	HB2	H	2.27
716	1	68	ARG	HB3	H	1.86
717	1	68	ARG	HG2	H	1.726
718	1	68	ARG	HG3	H	1.726
719	1	68	ARG	HD2	H	3.175
720	1	68	ARG	HD3	H	3.175
721	1	68	ARG	HE	H	6.899
722	1	68	ARG	CA	C	56.591
723	1	68	ARG	CB	C	29.826
724	1	68	ARG	CG	C	27.376
725	1	68	ARG	CD	C	42.788
726	1	68	ARG	N	N	114.462
727	1	69	LEU	H	H	7.826
728	1	69	LEU	HA	H	4.339
729	1	69	LEU	HB2	H	1.825
730	1	69	LEU	HB3	H	1.607
731	1	69	LEU	HD11	H	0
732	1	69	LEU	HD12	H	0
733	1	69	LEU	HD13	H	0
734	1	69	LEU	HD21	H	0.667
735	1	69	LEU	HD22	H	0.667
736	1	69	LEU	HD23	H	0.667
737	1	69	LEU	CA	C	52.977
738	1	69	LEU	CB	C	38.395
739	1	69	LEU	CG	C	26.609
740	1	69	LEU	CD2	C	22.5
741	1	69	LEU	N	N	118.311
742	1	70	ILE	H	H	6.704
743	1	70	ILE	HA	H	3.566
744	1	70	ILE	HB	H	1.709
745	1	70	ILE	HG21	H	1.017
746	1	70	ILE	HG22	H	1.017
747	1	70	ILE	HG23	H	1.017
748	1	70	ILE	HD11	H	0.901
749	1	70	ILE	HD12	H	0.901
750	1	70	ILE	HD13	H	0.901
751	1	70	ILE	CA	C	63.427
752	1	70	ILE	CB	C	37.795
753	1	70	ILE	CG1	C	28.817
754	1	70	ILE	CG2	C	17.504
755	1	70	ILE	CD1	C	13.421
756	1	70	ILE	N	N	118.247
757	1	71	GLY	H	H	8.977
758	1	71	GLY	HA2	H	4.23
759	1	71	GLY	HA3	H	3.963
760	1	71	GLY	CA	C	45.222
761	1	71	GLY	N	N	114.474
762	1	72	LYS	H	H	7.627
763	1	72	LYS	HA	H	4.643
764	1	72	LYS	HB2	H	1.961
765	1	72	LYS	HB3	H	1.961
766	1	72	LYS	HG2	H	1.287
767	1	72	LYS	HG3	H	1.287
768	1	72	LYS	HD2	H	1.682
769	1	72	LYS	HD3	H	1.626
770	1	72	LYS	HE2	H	3.058
771	1	72	LYS	HE3	H	2.997
772	1	72	LYS	CA	C	53.591
773	1	72	LYS	CB	C	39.188
774	1	72	LYS	CG	C	25.28
775	1	72	LYS	CD	C	28.06
776	1	72	LYS	CE	C	42.251
777	1	72	LYS	N	N	118.822
778	1	73	LYS	H	H	8.554
779	1	73	LYS	HA	H	5.228
780	1	73	LYS	HB2	H	1.846
781	1	73	LYS	HB3	H	1.735
782	1	73	LYS	HG2	H	1.413
783	1	73	LYS	HG3	H	1.307
784	1	73	LYS	HD2	H	1.591
785	1	73	LYS	HD3	H	1.591
786	1	73	LYS	HE2	H	2.871
787	1	73	LYS	HE3	H	2.871
788	1	73	LYS	CA	C	54.886
789	1	73	LYS	CB	C	34.643
790	1	73	LYS	CG	C	24.849
791	1	73	LYS	CD	C	28.854
792	1	73	LYS	CE	C	41.645
793	1	73	LYS	N	N	120.036
794	1	74	LEU	H	H	8.714
795	1	74	LEU	HA	H	5.528
796	1	74	LEU	HB2	H	1.561
797	1	74	LEU	HB3	H	1.409
798	1	74	LEU	HG	H	1.62
799	1	74	LEU	HD11	H	0.771
800	1	74	LEU	HD12	H	0.771
801	1	74	LEU	HD13	H	0.771
802	1	74	LEU	HD21	H	0.708
803	1	74	LEU	HD22	H	0.708
804	1	74	LEU	HD23	H	0.708
805	1	74	LEU	CA	C	51.713
806	1	74	LEU	CB	C	45.163
807	1	74	LEU	CG	C	26.331
808	1	74	LEU	CD1	C	23.951
809	1	74	LEU	CD2	C	23.951
810	1	74	LEU	N	N	120.373
811	1	75	LYS	H	H	9.261
812	1	75	LYS	HA	H	5.207
813	1	75	LYS	HB2	H	1.703
814	1	75	LYS	HB3	H	1.639
815	1	75	LYS	HG2	H	1.317
816	1	75	LYS	HG3	H	1.11
817	1	75	LYS	HD2	H	1.564
818	1	75	LYS	HD3	H	1.48
819	1	75	LYS	HE2	H	2.643
820	1	75	LYS	HE3	H	2.643
821	1	75	LYS	CA	C	54.694
822	1	75	LYS	CB	C	37.008
823	1	75	LYS	CG	C	24.693
824	1	75	LYS	CD	C	29.483
825	1	75	LYS	CE	C	41.186
826	1	75	LYS	N	N	121.159
827	1	76	VAL	H	H	8.583
828	1	76	VAL	HA	H	4.617
829	1	76	VAL	HB	H	1.997
830	1	76	VAL	HG11	H	0.777
831	1	76	VAL	HG12	H	0.777
832	1	76	VAL	HG13	H	0.777
833	1	76	VAL	HG21	H	0.777
834	1	76	VAL	HG22	H	0.777
835	1	76	VAL	HG23	H	0.777
836	1	76	VAL	CA	C	61.026
837	1	76	VAL	CB	C	33.265
838	1	76	VAL	CG1	C	20.997
839	1	76	VAL	CG2	C	20.997
840	1	76	VAL	N	N	125.59
841	1	77	VAL	H	H	9.033
842	1	77	VAL	HA	H	4.746
843	1	77	VAL	HB	H	2.26
844	1	77	VAL	HG11	H	0.973
845	1	77	VAL	HG12	H	0.973
846	1	77	VAL	HG13	H	0.973
847	1	77	VAL	HG21	H	0.973
848	1	77	VAL	HG22	H	0.973
849	1	77	VAL	HG23	H	0.973
850	1	77	VAL	CA	C	58.201
851	1	77	VAL	CB	C	34.429
852	1	77	VAL	N	N	125.29
853	1	78	PRO	HA	H	4.649
854	1	78	PRO	HB2	H	2.413
855	1	78	PRO	HB3	H	1.902
856	1	78	PRO	HG2	H	2.224
857	1	78	PRO	HG3	H	1.836
858	1	78	PRO	HD2	H	3.729
859	1	78	PRO	HD3	H	3.729
860	1	78	PRO	CA	C	62.669
861	1	78	PRO	CB	C	32.043
862	1	78	PRO	CG	C	27.593
863	1	78	PRO	CD	C	51.017
864	1	79	LEU	H	H	7.934
865	1	79	LEU	HA	H	4.296
866	1	79	LEU	HB2	H	1.452
867	1	79	LEU	HB3	H	1.299
868	1	79	LEU	HG	H	1.188
869	1	79	LEU	HD11	H	0.802
870	1	79	LEU	HD12	H	0.802
871	1	79	LEU	HD13	H	0.802
872	1	79	LEU	HD21	H	0.802
873	1	79	LEU	HD22	H	0.802
874	1	79	LEU	HD23	H	0.802
875	1	79	LEU	CA	C	49.556
876	1	79	LEU	CB	C	42.119
877	1	79	LEU	CG	C	26.614
878	1	79	LEU	CD1	C	27.015
879	1	79	LEU	CD2	C	27.015
880	1	79	LEU	N	N	123.303

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Calculated from 20 models in PDB: 5YXI, Strand ID: A Detail

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Release date

2018-02-14

Citation

De novo sequence redesign of a functional Ras-binding domain globally inverted the surface charge distribution and led to extreme thermostability
Liu, R., Wang, J., Xiong, P., Chen, Q., Liu, H.
Biotechnol. Bioeng. (2021), 118, 2031-2042, PubMed 33590881 , DOI 10.1002/bit.27716 , Abstract