NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype | other_prop |
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21675 |
2hw0   |
cing | 1-original | 2 | DYANA/DIANA | distance | hydrogen bond | simple | LOWER_ONLY=true |
##### LOWER LIMITS ##### #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #interstrand b1-b5: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 14 HIS O 68 GLN H 1.8 # hbond,68HN protected 14 HIS O 68 GLN N 2.7 # hbond,68HN protected 14 HIS H 68 GLN O 1.8 # hbond,14H NOT protected 14 HIS N 68 GLN O 2.7 # hbond,14H NOT protected 17 TRP HE1 68 GLN O 1.8 # hbond,17HNe protected 17 TRP NE1 68 GLN O 2.7 # hbond,17HNe protected #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #interstrand b2-b4: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 15 LYS O 64 PHE H 1.8 # hbond 15 LYS O 64 PHE N 2.7 # hbond 17 TRP H 62 ALA O 1.8 # hbond 17 TRP N 62 ALA O 2.7 # hbond 17 TRP O 62 ALA H 1.8 # hbond 17 TRP O 62 ALA N 2.7 # hbond 19 PHE H 60 GLY O 1.8 # hbond 19 PHE N 60 GLY O 2.7 # hbond 19 PHE O 60 GLY H 1.8 # hbond 19 PHE O 60 GLY N 2.7 # hbond 21 LEU O 58 LEU H 1.8 # hbond 21 LEU O 58 LEU N 2.7 # hbond 21 LEU H 58 LEU O 1.8 # hbond 21 LEU N 58 LEU O 2.7 # hbond 23 ASN H 56 PRO O 1.8 # hbond,23HN NOT protected 23 ASN N 56 PRO O 2.7 # hbond,23HN NOT protected #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #helix a1: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 25 SER O 29 ARG H 1.8 # 25 SER O 29 ARG N 2.7 # 26 GLU O 30 LYS H 1.8 # test hbond, but could also be CO27!! 26 GLU O 30 LYS N 2.7 # test hbond, but could also be CO27!! 27 ASP O 31 LYS H 1.8 # test hbond, but could also be HN30!! 27 ASP O 31 LYS N 2.7 # test hbond, but could also be HN30!! 28 GLU O 32 ILE H 1.8 # hbond 28 GLU O 32 ILE N 2.7 # hbond 29 ARG O 33 ARG H 1.8 # hbond 29 ARG O 33 ARG N 2.7 # hbond 30 LYS O 34 ASP H 1.8 # hbond 30 LYS O 34 ASP N 2.7 # hbond 32 ILE O 35 LEU H 1.8 # testOK 32 ILE O 35 LEU N 2.7 # testOK #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #turn a1-b3: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 36 PRO O 39 LEU H 1.8 # hbond 36 PRO O 39 LEU N 2.7 # hbond 37 ILE O 40 PHE H 1.8 # hbond 37 ILE O 40 PHE N 2.7 # hbond #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #interstrand b2-b6: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 18 VAL H 84 GLU O 1.8 # hbond 18 VAL N 84 GLU O 2.7 # hbond 18 VAL O 84 GLU H 1.8 # hbond 18 VAL O 84 GLU N 2.7 # hbond 20 THR H 82 HIS O 1.8 # hbond 20 THR N 82 HIS O 2.7 # hbond 20 THR O 82 HIS H 1.8 # hbond 20 THR O 82 HIS N 2.7 # hbond #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #interstrand b3-b4: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ ## 42 TYR H 63 ASN O 1.8 # hbond ## 42 TYR N 63 ASN O 2.7 # hbond 42 TYR O 63 ASN H 1.8 # hbond 42 TYR O 63 ASN N 2.7 # hbond 44 ILE H 61 PHE O 1.8 # hbond 44 ILE N 61 PHE O 2.7 # hbond 44 ILE O 61 PHE H 1.8 # hbond 44 ILE O 61 PHE N 2.7 # hbond 46 GLY H 59 GLN O 1.8 # hbond 46 GLY N 59 GLN O 2.7 # hbond 46 GLY O 59 GLN H 1.8 # hbond 46 GLY O 59 GLN N 2.7 # hbond #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #helix a2: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 69 THR OG1 72 LYS H 1.8 # Capping T69-HN72, seen in all 3D but not protected 69 THR OG1 72 LYS N 2.7 # Capping T69-HN72, seen in all 3D but not protected 69 THR O 73 VAL H 1.8 # hbond, HNprotected. 69 THR O 73 VAL N 2.7 # hbond, HNprotected. 70 PHE O 74 LYS H 1.8 # BIFhbond, HNprotected. 70 PHE O 74 LYS N 2.7 # BIFhbond, HNprotected. 71 ASN O 74 LYS H 1.8 # BIFhbond, HNprotected. 71 ASN O 74 LYS N 2.7 # BIFhbond, HNprotected. 72 LYS O 75 TRP H 1.8 # 3_10, hbond, HNprotected. 72 LYS O 75 TRP N 2.7 # 3_10, hbond, HNprotected. 73 VAL O 76 TYR H 1.8 # BIFhbond, HNprotected. 73 VAL O 76 TYR N 2.7 # BIFhbond, HNprotected. 73 VAL O 77 LEU H 1.8 # BIFhbond, HNprotected. 73 VAL O 77 LEU N 2.7 # BIFhbond, HNprotected. 74 LYS O 78 GLY H 1.8 # hbond 74 LYS O 78 GLY N 2.7 # hbond #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #interstrand b3-b7: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 43 PHE H 107 CYS O 1.8 # hbond 43 PHE N 107 CYS O 2.7 # hbond 43 PHE O 107 CYS H 1.8 # hbond 43 PHE O 107 CYS N 2.7 # hbond 45 VAL H 105 MET O 1.8 # hbond 45 VAL N 105 MET O 2.7 # hbond #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #helix a3: #~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ #None protected but impose those present in 25/30 3Ds 89 THR O 93 ASN H 1.8 # Not protected but consistent 89 THR O 93 ASN N 2.7 # Not protected but consistent 90 ASP O 94 LYS H 1.8 # Not protected but consistent 90 ASP O 94 LYS N 2.7 # Not protected but consistent 91 GLN O 95 GLU H 1.8 # Not protected but consistent 91 GLN O 95 GLU N 2.7 # Not protected but consistent 94 LYS O 98 SER H 1.8 # Not protected but consistent 94 LYS O 98 SER N 2.7 # Not protected but consistent 96 TYR O 99 LYS H 1.8 # 3_10,Not protected but consistent 96 TYR O 99 LYS N 2.7 # 3_10,Not protected but consistent 98 SER O 101 GLY H 1.8 # 3_10,Not protected but consistent 98 SER O 101 GLY N 2.7 # 3_10,Not protected but consistent
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