Search

Rules for designing protein fold switches and their implications for the folding code
Authors
He, Y., Chen, Y., Ruan, B., Choi, J., Chen, Y., Motabar, D., Solomon, T., Simmerman, R., Kauffman, T., Gallagher, T., Bryan, P., Orban, J.
Assembly
Sb1
Entity
1. Sb1 (polymer, Thiol state: not present), 95 monomers, 10545.80 Da Detail

SAGIATFKLV LNGKTLKGET TTEAVDAATA LKNFGAYAQD VGVDGAWTYD DATKTFTVGE RLIFKVKMPE DRMNDLARQL RQRDNVSRVE VTRYK


Formula weight
10545.8 Da
Source organism
Thermus thermophilus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 128, 13C: 208, 15N: 77 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
112ALACC177.9110.021
212ALACAC52.73801
312ALACBC19.08201
413GLYHH8.5490.0011
513GLYHA2H3.93501
613GLYHA3H3.93501
713GLYCC173.2280.0291
813GLYCAC45.0460.041
913GLYNN108.93601
1014ILEHH7.9080.0051
1114ILEHAH4.09201
1214ILECC174.6460.0091
1314ILECAC60.8290.0431
1414ILECBC39.3910.1241
1514ILENN119.3120.0271
1615ALAHH8.4040.0011
1715ALAHAH4.61801
1815ALACC175.1110.0241
1915ALACAC51.0080.041
2015ALACBC21.6010.0311
2115ALANN128.93101
2216THRHH8.0750.0031
2316THRHAH4.94501
2416THRCC174.3880.0081
2516THRCAC62.6210.1521
2616THRCBC69.6620.0111
2716THRNN115.08201
2817PHEHH9.4050.0021
2917PHEHAH5.27301
3017PHECAC56.60101
3117PHECBC43.59801
3217PHENN126.09301
3318LYSHH8.5490.0011
3418LYSNN108.93601
3519LEUHH8.6680.0011
3619LEUNN126.49301
37110VALHH8.5490.0011
38110VALNN108.93601
39111LEUCC175.5701
40111LEUCAC54.56801
41111LEUCBC42.22301
42112ASNHH8.9180.0021
43112ASNHAH5.22601
44112ASNCC175.2560.031
45112ASNCAC51.3130.2181
46112ASNCBC39.1080.1241
47112ASNNN124.93701
48113GLYHH8.0420.0011
49113GLYHA2H4.27901
50113GLYHA3H4.27901
51113GLYCC173.5220.0131
52113GLYCAC450.0541
53113GLYNN108.85601
54114LYSHH8.8140.0041
55114LYSHAH4.16201
56114LYSCC178.3560.0191
57114LYSCAC59.270.1331
58114LYSCBC32.5370.0311
59114LYSNN120.6820.0421
60115THRHH8.5770.0011
61115THRCC176.35301
62115THRCAC62.1090.2651
63115THRCBC69.9480.0771
64115THRNN107.8201
65116LEUHH7.3540.0041
66116LEUCC173.61901
67116LEUCAC54.9750.031
68116LEUCBC42.9580.3591
69116LEUNN124.7390.0461
70117LYSHH7.930.0011
71117LYSHAH4.04501
72117LYSCC176.34101
73117LYSCAC54.19301
74117LYSCBC34.80701
75117LYSNN120.64301
76118GLYHH8.4040.0031
77118GLYHA2H4.17401
78118GLYHA3H4.17401
79118GLYCC171.4750.0321
80118GLYCAC45.2580.0631
81118GLYNN109.69301
82119GLUHH8.4540.0011
83119GLUHAH4.39601
84119GLUCC175.2290.0131
85119GLUCAC55.0220.031
86119GLUCBC33.5930.0871
87119GLUNN118.83801
88120THRHH8.7980.0031
89120THRHAH5.51801
90120THRCC172.4601
91120THRCAC60.4170.081
92120THRCBC69.620.0631
93120THRNN116.23201
94121THRHH8.1530.0021
95121THRHAH5.82201
96121THRCC174.0460.0271
97121THRCAC60.0440.0161
98121THRCBC73.3980.0071
99121THRNN111.370.0081
100122THRHH9.0270.0011
101122THRHAH4.29101
102122THRCC170.9070.011
103122THRCAC61.9450.0871
104122THRCBC69.7370.041
105122THRNN115.04301
106123GLUHH7.8660.0051
107123GLUHAH5.48301
108123GLUCC176.1780.0581
109123GLUCAC54.810.0871
110123GLUCBC30.7530.0171
111123GLUNN124.4820.0161
112124ALAHH9.3030.0031
113124ALAHAH4.74701
114124ALACC176.8850.0231
115124ALACAC51.11901
116124ALACBC23.0320.0071
117124ALANN123.8460.0251
118125VALHH8.5360.0021
119125VALCC174.990.0231
120125VALCAC63.3770.0161
121125VALCBC31.950.1011
122125VALNN114.4370.0491
123126ASPHH7.2170.0021
124126ASPHAH4.64101
125126ASPCC174.20601
126126ASPCAC52.8380.2281
127126ASPCBC42.3950.1571
128126ASPNN11401
129127ALAHH9.0490.0011
130127ALANN127.32801
131128ALACAC55.4601
132128ALACBC17.76801
133129THRHH8.320.0021
134129THRHAH4.23201
135129THRCC175.75701
136129THRCBC67.47701
137130ALAHH7.4980.0021
138130ALACC177.7710.021
139130ALACAC55.0690.0161
140130ALACBC16.930.1481
141130ALANN124.67301
142131LEUHH8.0170.0041
143131LEUHAH4.87501
144131LEUCC178.3910.0781
145131LEUCAC57.3680.0161
146131LEUCBC40.0710.1341
147131LEUNN116.58701
148132LYSHH7.0790.0031
149132LYSHAH3.89301
150132LYSCC179.820.0191
151132LYSCAC59.7620.2041
152132LYSCBC31.5750.0871
153132LYSNN119.60301
154133ASNHH7.6770.0031
155133ASNCAC55.33301
156133ASNCBC36.93301
157133ASNNN120.18401
158134PHEHH8.5490.0011
159134PHENN108.93601
160135GLYCC173.9101
161135GLYCAC47.43301
162136ALAHH7.3690.0061
163136ALACC179.2460.0291
164136ALACAC55.0690.0641
165136ALACBC17.7990.0781
166136ALANN123.95601
167137TYRHH7.8660.011
168137TYRHAH4.1501
169137TYRCAC58.52501
170137TYRNN116.47301
171138ALAHH8.9190.0011
172138ALANN120.13401
173139GLNHH8.5490.0011
174139GLNNN108.93601
175140ASPHH7.9830.0011
176140ASPNN120.73901
177141VALCAC62.07901
178141VALCBC31.19201
179142GLYHH7.7290.0021
180142GLYCC174.68101
181142GLYCAC46.3140.1811
182142GLYNN109.8501
183143VALHH8.0370.0021
184143VALHAH4.16201
185143VALCAC62.56201
186143VALCBC31.62901
187143VALNN120.51301
188144ASPCC174.93801
189144ASPCAC52.87801
190144ASPCBC43.3501
191145GLYHH8.1350.0021
192145GLYCAC45.33501
193145GLYNN107.87201
194146ALAHH8.4190.0011
195146ALANN124.47101
196147TRPCC176.78501
197147TRPCAC56.96201
198147TRPCBC31.05101
199148THRHH9.1040.0011
200148THRCC172.95101
201148THRCAC60.57701
202148THRCBC72.6710.0631
203148THRNN112.72901
204149TYRHH8.8520.0051
205149TYRCC173.0520.0531
206149TYRCAC56.8520.111
207149TYRCBC42.9810.2421
208149TYRNN120.00301
209150ASPHH7.6930.0031
210150ASPHAH4.58301
211150ASPCC174.3890.0451
212150ASPCAC51.9650.2941
213150ASPCBC42.9570.0781
214150ASPNN128.53601
215151ASPHH8.4750.0011
216151ASPHAH4.32601
217151ASPCC178.26601
218151ASPCAC56.60101
219151ASPCBC42.42501
220151ASPNN124.70501
221152ALACC179.7850.0161
222152ALACAC55.19701
223152ALACBC18.37801
224153THRHH6.9610.0041
225153THRHAH4.39601
226153THRCC175.1930.0491
227153THRCAC60.6540.0631
228153THRCBC70.2760.1721
229153THRNN103.21801
230154LYSHH7.8430.0041
231154LYSHAH4.12701
232154LYSCC174.7840.0331
233154LYSCAC57.5790.1811
234154LYSCBC30.2840.0161
235154LYSNN124.0040.041
236155THRHH7.350.0031
237155THRCC174.7720.0211
238155THRCAC62.3670.1011
239155THRCBC72.1080.0641
240155THRNN110.83901
241156PHEHH10.4140.0031
242156PHECC174.7250.051
243156PHECAC57.1330.2051
244156PHECBC42.8640.0781
245156PHENN131.15901
246157THRHH8.8830.0021
247157THRCAC61.34201
248157THRCBC71.10501
249157THRNN116.04501
250158VALCAC58.73701
251159GLYHH8.050.0051
252159GLYCAC43.8801
253159GLYNN112.9960.0291
254160GLUCC176.6870.0071
255160GLUCAC56.63401
256160GLUCBC30.58201
257161ARGHH8.7390.0011
258161ARGHAH4.16201
259161ARGCC175.9901
260161ARGCAC56.69501
261161ARGCBC30.50201
262161ARGNN123.63201
263162LEUCC174.51801
264162LEUCAC56.63401
265162LEUCBC43.63101
266163ILEHH9.170.0041
267163ILEHAH5.17901
268163ILECC173.2260.0061
269163ILECAC55.2790.041
270163ILECBC35.870.0631
271163ILENN122.2730.0061
272164PHEHH8.6720.0021
273164PHEHAH4.71201
274164PHECC174.29501
275164PHECAC52.980.1471
276164PHECBC42.5820.1721
277164PHENN126.47501
278165LYSHH8.74501
279165LYSCAC55.09901
280165LYSNN122.29801
281166VALCAC62.26601
282166VALCBC32.601
283167LYSHH8.740.0021
284167LYSNN125.81601
285168METHH8.5490.0011
286168METNN108.93601
287169PROCC176.9390.081
288169PROCAC63.67501
289169PROCBC31.9901
290170GLUHH8.7170.0021
291170GLUHAH4.22101
292170GLUCC176.34201
293170GLUCAC56.36601
294170GLUCBC29.37601
295170GLUNN120.94401
296171ASPHH8.2540.0011
297171ASPNN121.05101
298172ARGHH8.5490.0011
299172ARGNN108.93601
300173METHH8.5490.0011
301173METNN108.93601
302174ASNHH8.5490.0011
303174ASNNN108.93601
304176LEUCC178.30501
305176LEUCAC56.96201
306176LEUCBC41.6601
307177ALAHH8.3170.0031
308177ALAHAH4.11501
309177ALACC179.5980.11
310177ALACAC55.1390.2421
311177ALACBC17.8920.2181
312177ALANN120.10601
313178ARGHH7.7740.0041
314178ARGHAH4.19701
315178ARGNN119.8070.0071
316179GLNCC178.65601
317179GLNCAC58.59201
318179GLNCBC28.42301
319180LEUHH7.9850.0041
320180LEUHAH4.18501
321180LEUCC178.49201
322180LEUCAC56.7580.0161
323180LEUCBC41.080.5331
324180LEUNN120.70101
325181ARGHH7.7350.0041
326181ARGCC177.3490.0681
327181ARGCAC57.4390.041
328181ARGCBC30.1910.0171
329181ARGNN119.31801
330182GLNHH8.0390.0011
331182GLNHAH4.0801
332182GLNCC176.6460.0481
333182GLNCAC56.9220.0541
334182GLNCBC28.6650.1011
335182GLNNN119.64501
336183ARGHH8.1130.0021
337183ARGHAH4.06901
338183ARGCC176.4940.0341
339183ARGCAC56.8050.0161
340183ARGCBC30.4010.0541
341183ARGNN120.78301
342184ASPHH8.2110.0021
343184ASPHAH4.09201
344184ASPCC176.1540.0331
345184ASPCAC54.880.1251
346184ASPCBC41.1740.0161
347184ASPNN120.24501
348185ASNHH8.3180.0051
349185ASNHAH4.68801
350185ASNCC175.4680.0311
351185ASNCAC53.7070.0161
352185ASNCBC38.6160.1011
353185ASNNN118.9180.0761
354186VALHH8.0740.0011
355186VALHAH4.10401
356186VALCC176.4210.0181
357186VALCAC62.7670.0161
358186VALCBC32.3260.0071
359186VALNN119.99801
360187SERHH8.4401
361187SERHAH4.39601
362187SERCC174.5360.0271
363187SERCAC58.7530.041
364187SERCBC63.8460.1711
365187SERNN119.29101
366188ARGHH8.3880.0021
367188ARGHAH4.36101
368188ARGCC176.2130.0111
369188ARGCAC56.2880.0631
370188ARGCBC30.4950.1011
371188ARGNN123.62901
372189VALHH8.1920.0021
373189VALHAH4.05701
374189VALCC176.0760.0111
375189VALCAC62.4610.1011
376189VALCBC32.420.0071
377189VALNN121.79701
378190GLUHH8.5701
379190GLUHAH4.26701
380190GLUCC176.36501
381190GLUCAC56.570.2191
382190GLUCBC30.1910.1241
383190GLUNN125.57101
384191VALHH8.3520.0031
385191VALHAH4.09201
386191VALCC176.3650.0571
387191VALCAC62.5550.1011
388191VALCBC32.6080.11
389191VALNN122.301
390192THRHH8.2980.0021
391192THRHAH4.19701
392192THRCC173.9660.0321
393192THRCAC62.4330.1291
394192THRCBC69.850.0821
395192THRNN119.1210.0971
396193ARGHH8.330.0031
397193ARGHAH4.25601
398193ARGCC175.6070.0491
399193ARGCAC56.3350.1111
400193ARGCBC30.6130.031
401193ARGNN124.21901
402194TYRHH8.310.0041
403194TYRHAH4.54801
404194TYRCC174.7870.0121
405194TYRCAC58.260.111
406194TYRCBC38.6630.0541
407194TYRNN121.94201
408195LYSHH7.8610.0021
409195LYSHAH4.0801
410195LYSCC180.98901
411195LYSCAC57.96201
412195LYSCBC33.64701
413195LYSNN127.34201

Release date
2021-05-12
Citation
Design and characterization of a protein fold switching network
Ruan, B., He, Y., Chen, Y., Choi, E., Chen, Y., Motabar, D., Solomon, T., Simmerman, R., Kauffman, T., Gallagher, D., Orban, J., Bryan, P.
Nat. Commun. (2023), 14, 431-431, PubMed 36702827 , DOI 10.1038/s41467-023-36065-3 ,
Related entities 1. Sb1, : 1 : 6 entities Detail
Experiments performed 5 experiments Detail
Chemical shift validation 3 contents Detail
Keywords UNKNOWN FUNCTION, design, fold evolution, metamorphic proteins, protein fold switching, structural biology