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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
Sb2
Entity
1. Sb2 (polymer, Thiol state: not present), 93 monomers, 10446.73 Da Detail

GIYTVKIVLN PKTNKGELTT EAVDAATALK NFGAKAQDVG VDGAWTYSDP TKTFPVGYRL IFKVEMPEDR VNDLARQLRQ RDNVSRVEVT RYK


Formula weight
10446.73 Da
Source organism
Thermus thermophilus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 147, 13C: 231, 15N: 74 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111GLYCC169.02201
211GLYCAC43.71201
312ILEHH8.3370.0051
412ILEHAH5.02501
512ILECC175.03601
612ILECAC60.1520.0131
712ILECBC38.0720.1291
812ILENN120.14201
913TYRHH9.4130.0041
1013TYRHAH5.23901
1113TYRCC175.57401
1213TYRCAC57.0790.0771
1313TYRCBC42.7430.111
1413TYRNN125.4290.0231
1514THRHH9.3090.0021
1614THRHAH5.00301
1714THRCC173.89501
1814THRCAC62.1150.1391
1914THRCBC69.6740.0041
2014THRNN116.8360.0181
2115VALHH9.3250.0061
2215VALHAH4.50301
2315VALCC173.27101
2415VALCAC61.4820.0461
2515VALCBC33.210.1221
2615VALNN128.0820.0551
2716LYSHH9.0230.0061
2816LYSHAH5.22601
2916LYSCC174.7901
3016LYSCAC54.6070.0111
3116LYSCBC34.6860.0851
3216LYSNN127.1670.0481
3317ILEHH9.3870.0041
3417ILEHAH4.59501
3517ILECC174.49801
3617ILECAC60.560.0671
3717ILECBC40.980.0021
3817ILENN126.4730.0271
3918VALHH8.9520.0021
4018VALHAH4.56201
4118VALCC175.85401
4218VALCAC61.8950.0061
4318VALCBC32.6240.0991
4418VALNN127.3380.0271
4519LEUHH9.1130.0041
4619LEUHAH4.96701
4719LEUCC175.96101
4819LEUCAC53.9650.1381
4919LEUCBC42.5750.0341
5019LEUNN127.9330.0621
51110ASNHH8.570.0031
52110ASNHAH4.3801
53110ASNCAC51.31601
54110ASNCBC38.29701
55110ASNNN120.1010.0371
56112LYSCC178.86701
57112LYSCAC56.90501
58112LYSCBC32.49601
59113THRHH8.0180.0041
60113THRHAH4.0401
61113THRCAC61.93301
62113THRCBC69.75401
63113THRNN114.3990.0261
64114ASNCC176.03501
65115LYSHH8.00201
66115LYSHAH4.1101
67115LYSCAC56.86201
68115LYSCBC32.71101
69115LYSNN119.1701
70116GLYHH8.41201
71116GLYHA2H3.9101
72116GLYHA3H3.9101
73116GLYCC175.43401
74116GLYCAC45.9040.6011
75116GLYNN109.8601
76117GLUHH7.9760.0051
77117GLUHAH4.210.1461
78117GLUCC177.38901
79117GLUCAC57.0050.3241
80117GLUCBC30.2190.1211
81117GLUNN119.9520.0571
82118LEUHH7.8490.011
83118LEUCC177.47501
84118LEUCAC55.31501
85118LEUCBC42.49701
86118LEUNN121.1570.0581
87119THRHH8.1750.0111
88119THRHAH4.3840.0861
89119THRCC174.62701
90119THRCAC61.9210.0971
91119THRCBC69.9430.0351
92119THRNN115.1760.0461
93120THRHH8.1810.0091
94120THRHAH4.39101
95120THRCC175.92801
96120THRCAC62.29201
97120THRCBC69.86101
98120THRNN116.0580.0621
99121GLUHH8.24101
100121GLUHAH4.56901
101121GLUCC176.0901
102121GLUCAC56.5530.0551
103121GLUCBC30.1140.0781
104121GLUNN120.37801
105122ALAHH8.3030.0021
106122ALAHAH4.29901
107122ALACC177.94301
108122ALACAC52.7520.0481
109122ALACBC19.0720.0091
110122ALANN125.3940.0541
111123VALHH8.1030.0051
112123VALHAH4.14801
113123VALCAC62.33501
114123VALCBC32.59901
115123VALNN119.6570.0351
116124ASPHH8.47901
117124ASPCC179.60201
118124ASPCAC54.7601
119124ASPCBC42.8101
120124ASPNN127.76801
121125ALAHH8.3470.0061
122125ALAHAH3.9101
123125ALACC178.41501
124125ALACAC55.5720.1211
125125ALACBC17.9570.5311
126125ALANN124.0790.011
127126ALAHH7.9350.0041
128126ALAHAH4.41701
129126ALACC180.76101
130126ALACAC55.6870.2031
131126ALACBC18.3150.3041
132126ALANN119.60.0031
133127THRHH8.2780.1961
134127THRCC175.35901
135127THRCAC62.95301
136127THRCBC69.1380.2841
137127THRNN116.5570.0391
138128ALAHH7.9030.0021
139128ALAHAH4.1280.0071
140128ALACC179.73101
141128ALACAC55.3580.2431
142128ALACBC17.6280.3041
143128ALANN124.9180.0191
144129LEUHH7.930.0061
145129LEUHAH3.75801
146129LEUCC178.74301
147129LEUCAC58.7310.1071
148129LEUCBC41.070.0641
149129LEUNN117.0950.0151
150130LYSHH7.7510.0021
151130LYSHAH4.14501
152130LYSCC180.41801
153130LYSCAC59.4401
154130LYSCBC32.3240.2151
155130LYSNN119.5960.0031
156131ASNHH8.4910.0051
157131ASNCC176.56401
158131ASNCAC55.4140.1731
159131ASNCBC37.8220.1921
160131ASNNN119.750.0151
161132PHEHH7.9220.0031
162132PHEHAH4.21401
163132PHECC175.101
164132PHECAC58.850.0371
165132PHECBC39.590.1261
166132PHENN118.40.0371
167133GLYHH7.8510.0021
168133GLYHA2H4.06301
169133GLYHA3H4.06301
170133GLYCC174.43301
171133GLYCAC45.8190.3341
172133GLYNN105.8960.0131
173134ALAHH8.0020.0031
174134ALAHAH4.6501
175134ALACC176.82201
176134ALACAC51.9840.0221
177134ALACBC20.7430.2361
178134ALANN121.9330.0151
179135LYSHH8.4990.0021
180135LYSHAH4.48501
181135LYSCAC55.35801
182135LYSCBC33.69901
183135LYSNN121.4430.0021
184136ALACC179.81701
185136ALACAC55.95901
186136ALACBC17.9280.2151
187137GLNHH7.960.0151
188137GLNCC176.401
189137GLNCAC58.92401
190137GLNNN117.2810.0691
191138ASPHAH4.53201
192138ASPCC175.8201
193138ASPCAC54.75601
194138ASPCBC42.29401
195138ASPNN123.06401
196139VALHH8.1410.0021
197139VALHAH4.14501
198139VALCC176.57201
199139VALCAC62.5630.1011
200139VALCBC32.6680.2651
201139VALNN119.3890.0531
202140GLYHH8.4570.0031
203140GLYHA2H3.95701
204140GLYHA3H3.95701
205140GLYCC177.8401
206140GLYCAC45.2450.1011
207140GLYNN112.2260.0731
208141VALHH8.05801
209141VALHAH4.09801
210141VALCAC62.6201
211141VALCBC32.71101
212141VALNN119.30201
213142ASPCC176.52901
214142ASPCAC54.75601
215142ASPCBC41.43401
216143GLYHH8.1030.0031
217143GLYHA2H3.7801
218143GLYHA3H3.7801
219143GLYCAC45.17301
220143GLYNN109.0940.0341
221144ALACC177.31701
222144ALACAC52.5640.6021
223144ALACBC20.4210.431
224145TRPHH8.5360.0661
225145TRPHAH4.42701
226145TRPCC174.5101
227145TRPNN120.8240.6991
228146THRHH9.09601
229146THRHAH4.69701
230146THRNN124.72601
231150PROCC177.59701
232150PROCAC64.16701
233150PROCBC31.89401
234151THRHH8.3750.0071
235151THRHAH4.27401
236151THRCAC63.39401
237151THRCBC69.06601
238151THRNN111.2220.031
239152LYSCAC56.43201
240152LYSCBC32.62501
241153THRHH7.7601
242153THRCAC62.1901
243153THRCBC70.1401
244155PROCC179.64501
245156VALHH8.08701
246156VALHAH4.05101
247156VALCC177.34601
248156VALCAC64.59701
249156VALCBC32.66801
250157GLYHH8.34201
251157GLYHA2H4.25101
252157GLYHA3H4.25101
253157GLYCC172.9201
254157GLYCAC45.43101
255157GLYNN109.94901
256158TYRHH8.35101
257159ARGCC174.47601
258159ARGCAC54.75601
259159ARGCBC32.9690.2581
260160LEUHH9.1230.0061
261160LEUHAH4.69701
262160LEUCC174.98201
263160LEUCAC53.8110.1221
264160LEUCBC44.9010.1421
265160LEUNN125.3480.011
266161ILEHH8.2350.0061
267161ILECC173.9301
268161ILECAC59.8410.0411
269161ILECBC40.3890.0811
270161ILENN121.56101
271162PHEHH8.9020.0051
272162PHEHAH5.37701
273162PHECC175.91801
274162PHECAC56.1950.0651
275162PHECBC42.8950.0431
276162PHENN123.7890.0131
277163LYSHH8.9310.0141
278163LYSHAH5.36801
279163LYSCC176.26301
280163LYSCAC55.5790.1581
281163LYSCBC34.1970.2711
282163LYSNN123.9620.0031
283164VALHH9.2210.0041
284164VALHAH5.14301
285164VALCC173.16301
286164VALCAC58.9240.0431
287164VALCBC36.2130.1081
288164VALNN117.6790.0061
289165GLUHH8.7150.0061
290165GLUHAH5.54201
291165GLUCC175.89701
292165GLUCAC54.6910.1511
293165GLUCBC31.1420.0651
294165GLUNN124.620.011
295166METHH8.9990.0061
296166METHAH5.03701
297166METCAC54.71301
298166METCBC35.03101
299166METNN123.9350.011
300167PROCC174.61101
301167PROCAC62.80801
302167PROCBC32.58901
303168GLUHH8.8260.0051
304168GLUCC178.02801
305168GLUCAC59.2680.1931
306168GLUCBC30.1010.0271
307168GLUNN124.030.0771
308169ASPHH8.6490.0021
309169ASPHAH4.39801
310169ASPCC177.81201
311169ASPCAC56.030.0621
312169ASPCBC39.6080.0831
313169ASPNN115.0290.0381
314170ARGHH7.4120.0051
315170ARGHAH4.54201
316170ARGCC177.16701
317170ARGCAC56.5430.1041
318170ARGCBC31.2620.0121
319170ARGNN117.2830.0331
320171VALHH7.4010.0081
321171VALCC176.65801
322171VALCAC66.1870.1221
323171VALCBC31.4080.1011
324171VALNN120.3620.0011
325172ASNHH8.0540.0021
326172ASNHAH4.34501
327172ASNCC178.18401
328172ASNCAC56.2310.2841
329172ASNCBC37.4380.1821
330172ASNNN118.88401
331173ASPHH7.90.0051
332173ASPHAH4.39201
333173ASPCC177.96301
334173ASPCAC57.4201
335173ASPCBC40.7470.1291
336173ASPNN122.0280.0071
337174LEUHH7.7280.0051
338174LEUHAH4.32101
339174LEUCC177.99101
340174LEUCAC57.8210.1011
341174LEUCBC40.5460.0811
342174LEUNN122.3340.0131
343175ALAHH8.1750.0041
344175ALAHAH4.25101
345175ALACC178.82401
346175ALACAC56.1270.1491
347175ALACBC17.5870.0021
348175ALANN120.26101
349176ARGHH7.7830.0011
350176ARGHAH3.85201
351176ARGCC178.80301
352176ARGCAC60.0750.0531
353176ARGCBC30.1930.2391
354176ARGNN116.0960.0271
355177GLNHH7.7470.0041
356177GLNHAH3.9401
357177GLNCC179.88101
358177GLNCAC59.2410.0491
359177GLNCBC28.6950.2561
360177GLNNN118.1870.0371
361178LEUHH8.2650.0081
362178LEUHAH3.94601
363178LEUCC178.11901
364178LEUCAC57.8070.3041
365178LEUCBC42.9390.061
366178LEUNN119.36201
367179ARGHH7.8870.0091
368179ARGHAH3.81601
369179ARGCC177.13101
370179ARGCAC58.5170.1081
371179ARGCBC30.4540.0641
372179ARGNN114.6850.0121
373180GLNHH7.210.0041
374180GLNHAH4.22701
375180GLNCC174.15301
376180GLNCAC56.1530.151
377180GLNCBC28.71401
378180GLNNN114.8880.0351
379181ARGHH7.3710.0011
380181ARGCC177.94801
381181ARGCAC56.8190.3341
382181ARGCBC30.320.2641
383181ARGNN120.3810.0611
384182ASPHH8.5520.0041
385182ASPHAH4.28601
386182ASPCC177.66201
387182ASPCAC57.4790.0061
388182ASPCBC41.0570.0551
389182ASPNN122.9560.0121
390183ASNHH8.8710.0041
391183ASNHAH4.70801
392183ASNCC176.45601
393183ASNCAC53.7340.1631
394183ASNCBC37.8980.031
395183ASNNN112.9350.0221
396184VALHH7.3710.0041
397184VALHAH3.95701
398184VALCC175.57401
399184VALCAC63.4610.0521
400184VALCBC32.50.0941
401184VALNN121.1850.0771
402185SERHH9.310.0031
403185SERHAH4.57501
404185SERCC175.01401
405185SERCAC59.9920.051
406185SERCBC64.7650.0221
407185SERNN123.6840.0371
408186ARGHH7.8060.0021
409186ARGHAH4.58801
410186ARGCC173.20601
411186ARGCAC55.7840.1681
412186ARGCBC33.8340.0251
413186ARGNN117.6530.0551
414187VALHH8.8720.0021
415187VALHAH5.00901
416187VALCC174.90701
417187VALCAC61.1080.1361
418187VALCBC34.7010.1491
419187VALNN122.0630.0491
420188GLUHH9.2950.0041
421188GLUHAH4.75301
422188GLUCC174.92801
423188GLUCAC54.7410.0581
424188GLUCBC32.9840.0711
425188GLUNN127.7430.0411
426189VALHH8.8980.0031
427189VALHAH5.00301
428189VALCC175.70301
429189VALCAC61.690.021
430189VALCBC33.3950.0791
431189VALNN126.620.0321
432190THRHH8.9310.0031
433190THRHAH4.73901
434190THRCAC60.8450.051
435190THRCBC71.5960.031
436190THRNN121.6370.0341
437191ARGHH9.1360.0051
438191ARGHAH4.00401
439191ARGCC175.50901
440191ARGCAC57.1220.0551
441191ARGCBC30.4210.1211
442191ARGNN127.5480.0381
443192TYRHH8.9930.0021
444192TYRHAH4.42401
445192TYRCAC58.9460.151
446192TYRCBC39.7250.0531
447192TYRNN129.0170.0451
448193LYSHH7.5580.0041
449193LYSHAH3.94601
450193LYSCAC58.2801
451193LYSCBC34.81701
452193LYSNN127.1420.0341

Release date
2021-05-09
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. Sb2, : 1 : 112 entities Detail
Experiments performed 9 experiments Detail
Chemical shift validation 3 contents Detail
Keywords UNKNOWN FUNCTION, design, fold evolution, metamorphic proteins, protein fold switching, structural biology