NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L
GSHLGDLKYS LERLREILER LEENPSEKQI VEAIRAIVEN NAQIVEAIRA IVENNAQIVE NNRAIIEALE AIGVDQKILE EMKKQLKDLK RSLERG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 52.0 % (596 of 1146) | 31.7 % (192 of 606) | 72.3 % (313 of 433) | 85.0 % (91 of 107) |
Backbone | 81.9 % (470 of 574) | 54.9 % (107 of 195) | 95.8 % (272 of 284) | 95.8 % (91 of 95) |
Sidechain | 32.4 % (215 of 664) | 20.7 % (85 of 411) | 53.9 % (130 of 241) | 0.0 % (0 of 12) |
Aromatic | 0.0 % (0 of 12) | 0.0 % (0 of 6) | 0.0 % (0 of 6) | |
Methyl | 63.4 % (85 of 134) | 64.2 % (43 of 67) | 62.7 % (42 of 67) |
1. entity 1
GSHLGDLKYS LERLREILER LEENPSEKQI VEAIRAIVEN NAQIVEAIRA IVENNAQIVE NNRAIIEALE AIGVDQKILE EMKKQLKDLK RSLERGSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310.15 K, pH 6.2, Details 600 uM U-[15N, 12C, 2H] 13Ce Met 13Cb Ala 13Cd1 Ile 13Cd2 Leu 13Cg2 Val k170_MAI(LV)proS, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k170_MAI(LV)proS | U-[15N, 12C, 2H] 13Ce Met 13Cb Ala 13Cd1 Ile 13Cd2 Leu 13Cg2 Val | 600 uM | |
2 | NaCl | natural abundance | 100 mM |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 310.15 K, pH 6.2, Details 400 uM U-[15N, 13C, 2H] k170_ILVstar, 95% H2O/5% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | k170_ILVstar | U-[15N, 13C, 2H] | 400 uM | |
4 | NaCl | natural abundance | 100 mM |