NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
26327 | 2kid | 16270 | cing | 1-original | 3 | XPLOR/CNS | distance | hydrogen bond | simple |
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! !B1:G16-P21 || B5:S82-V88 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! B1/B5 ! OK assign (resid 17 and name HN ) (resid 87 and name O ) 2.3 0.8 0.2 assign (resid 17 and name N ) (resid 87 and name O ) 3.3 0.8 0.2 ! OK assign (resid 87 and name HN ) (resid 17 and name O ) 2.3 0.8 0.2 assign (resid 87 and name N ) (resid 17 and name O ) 3.3 0.8 0.2 ! B1/B5 ! OK assign (resid 19 and name HN ) (resid 85 and name O ) 2.3 0.8 0.2 assign (resid 19 and name N ) (resid 85 and name O ) 3.3 0.8 0.2 ! B1/B5 ! OK assign (resid 85 and name HN ) (resid 19 and name O ) 2.3 0.8 0.2 assign (resid 85 and name N ) (resid 19 and name O ) 3.3 0.8 0.2 !PRO21 Terminates B1 !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! !B1:G16-P21 || B2:D24-V29 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! OK assign (resid 18 and name HN ) (resid 27 and name O ) 2.3 0.8 0.2 assign (resid 18 and name N ) (resid 27 and name O ) 3.3 0.8 0.2 ! OK assign (resid 27 and name HN ) (resid 18 and name O ) 2.3 0.8 0.2 assign (resid 27 and name N ) (resid 18 and name O ) 3.3 0.8 0.2 !B1/B2 ! OK assign (resid 20 and name HN ) (resid 25 and name O ) 2.3 0.8 0.2 assign (resid 20 and name N ) (resid 25 and name O ) 3.3 0.8 0.2 ! OK assign (resid 25 and name HN ) (resid 20 and name O ) 2.3 0.8 0.2 assign (resid 25 and name N ) (resid 20 and name O ) 3.3 0.8 0.2 !B1/B2 OK assign (resid 29 and name HN ) (resid 16 and name O ) 2.3 0.8 0.2 assign (resid 29 and name N ) (resid 16 and name O ) 3.3 0.8 0.2 !OK? (NOT SUPPORTED BY STRUCTURES?) !SEEMS TO BE VIOLATED CHECK THIS AGAIN !assign (resid 16 and name HN ) ! (resid 29 and name O ) 2.3 0.8 0.2 !assign (resid 16 and name N ) ! (resid 29 and name O ) 3.3 0.8 0.2 !GLY SEEMS TO END B1 !B1/B2 OK WRONG!!!! !assign (resid 23 and name HN ) ! (resid 20 and name O ) 2.3 0.8 0.2 !assign (resid 23 and name N ) ! (resid 20 and name O ) 3.3 0.8 0.2 assign (resid 24 and name HN ) (resid 21 and name O ) 2.3 0.8 0.2 assign (resid 24 and name N ) (resid 21 and name O ) 3.3 0.8 0.2 !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! HELIX 1 (alpha 36-40) !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !Compatible with exchange data/CSI assign (resid 39 and name HN ) (resid 35 and name O ) 2.3 0.8 0.2 assign (resid 39 and name N ) (resid 35 and name O ) 3.3 0.8 0.2 assign (resid 40 and name HN ) (resid 36 and name O ) 2.3 0.8 0.2 assign (resid 40 and name N ) (resid 36 and name O ) 3.3 0.8 0.2 !NEED TO FIGURE OUT 39-42, 38-41? !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! B5:S82-V88 || B6:E91-K97? !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !B5/B6 !!(NOT SUPPORTED BY STRUCTURES) !!assign (resid 82 and name HN ) !! (resid 97 and name O ) 2.3 0.8 0.2 !!assign (resid 82 and name N ) !! (resid 97 and name O ) 3.3 0.8 0.2 !(supported by 50 % of the structures ) assign (resid 97 and name HN ) (resid 82 and name O ) 2.3 0.8 0.2 assign (resid 97 and name N ) (resid 82 and name O ) 3.3 0.8 0.2 ! !B5/B6 OK assign (resid 84 and name HN ) (resid 95 and name O ) 2.3 0.8 0.2 assign (resid 84 and name N ) (resid 95 and name O ) 3.3 0.8 0.2 assign (resid 95 and name HN ) (resid 84 and name O ) 2.3 0.8 0.2 assign (resid 95 and name N ) (resid 84 and name O ) 3.3 0.8 0.2 !B5/B6 (OK? NOT SUPPORTED BY STRUCTURES?) assign (resid 86 and name HN ) (resid 93 and name O ) 2.3 0.8 0.2 assign (resid 86 and name N ) (resid 93 and name O ) 3.3 0.8 0.2 !B5/B6 OK assign (resid 93 and name HN ) (resid 86 and name O ) 2.3 0.8 0.2 assign (resid 93 and name N ) (resid 86 and name O ) 3.3 0.8 0.2 !EXTRA HBONDS ADDED TO TIP assign (resid 88 and name HN ) (resid 91 and name O ) 2.3 0.8 0.2 assign (resid 88 and name N ) (resid 91 and name O ) 3.3 0.8 0.2 assign (resid 91 and name HN ) (resid 88 and name O ) 2.3 0.8 0.2 assign (resid 91 and name N ) (resid 88 and name O ) 3.3 0.8 0.2 !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! B6:E91-K97^98^S99-R101 || B8:I141-V145 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! assign (resid 96 and name HN ) (resid 145 and name O ) 2.3 0.8 0.2 assign (resid 96 and name N ) (resid 145 and name O ) 3.3 0.8 0.2 assign (resid 145 and name HN ) (resid 96 and name O ) 2.3 0.8 0.2 assign (resid 145 and name N ) (resid 96 and name O ) 3.3 0.8 0.2 assign (resid 99 and name HN ) (resid 143 and name O ) 2.3 0.8 0.2 assign (resid 99 and name N ) (resid 143 and name O ) 3.3 0.8 0.2 assign (resid 143 and name HN ) (resid 99 and name O ) 2.3 0.8 0.2 assign (resid 143 and name N ) (resid 99 and name O ) 3.3 0.8 0.2 !put back in from NOE data on 040908 assign (resid 101 and name HN ) (resid 141 and name O ) 2.3 0.8 0.2 assign (resid 101 and name N ) (resid 141 and name O ) 3.3 0.8 0.2 !Added on 041108 based on NOEs assign (resid 141 and name HN ) (resid 101 and name O ) 2.3 0.8 0.2 assign (resid 141 and name N ) (resid 101 and name O ) 3.3 0.8 0.2 !Added on 041108 based on NOEs assign (resid 103 and name HN ) (resid 139 and name O ) 2.3 0.8 0.2 assign (resid 103 and name N ) (resid 139 and name O ) 3.3 0.8 0.2 !Not sure about I141HN or D102HN !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! B7:K119-T125 || B8:I141-V145 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! !B7/B8 OK assign (resid 146 and name HN ) (resid 119 and name O ) 2.3 0.8 0.2 assign (resid 146 and name N ) (resid 119 and name O ) 3.3 0.8 0.2 ! !B7/B8 OK assign (resid 121 and name HN ) (resid 144 and name O ) 2.3 0.8 0.2 assign (resid 121 and name N ) (resid 144 and name O ) 3.3 0.8 0.2 ! !B7/B8 assign (resid 144 and name HN ) (resid 121 and name O ) 2.3 0.8 0.2 assign (resid 144 and name N ) (resid 121 and name O ) 3.3 0.8 0.2 ! !B7/B8 (Supported by ~28 % Structures only) assign (resid 123 and name HN ) (resid 142 and name O ) 2.3 0.8 0.2 assign (resid 123 and name N ) (resid 142 and name O ) 3.3 0.8 0.2 ! ! B7/B8 (NOT Supported by Structures) assign (resid 142 and name HN ) (resid 123 and name O ) 2.3 0.8 0.2 assign (resid 142 and name N ) (resid 123 and name O ) 3.3 0.8 0.2 !B7/B8 (Supported by ~28 % Structures only) !assign (resid 125 and name HN ) ! (resid 140 and name O ) 3.3 0.8 0.2 !assign (resid 125 and name N ) ! (resid 140 and name O ) 3.3 0.8 0.2 ! !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! B7:K119-T125 || B4:Q55-G61 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !Complete Identical to apo except. the 126-61 is a test !B4/B7 OK assign (resid 120 and name HN ) (resid 55 and name O ) 2.3 0.8 0.2 assign (resid 120 and name N ) (resid 55 and name O ) 3.3 0.8 0.2 ! !B4/B7 OK assign (resid 57 and name HN ) (resid 120 and name O ) 2.3 0.8 0.2 assign (resid 57 and name N ) (resid 120 and name O ) 3.3 0.8 0.2 ! !B4/B7 OK (Supported by 50 % of Strucutures) assign (resid 122 and name HN ) (resid 57 and name O ) 2.3 0.8 0.2 assign (resid 122 and name N ) (resid 57 and name O ) 3.3 0.8 0.2 ! !B4/B7 OK assign (resid 59 and name HN ) (resid 122 and name O ) 2.3 0.8 0.2 assign (resid 59 and name N ) (resid 122 and name O ) 3.3 0.8 0.2 ! !B4/B7 OK assign (resid 124 and name HN ) (resid 59 and name O ) 2.3 0.8 0.2 assign (resid 124 and name N ) (resid 59 and name O ) 3.3 0.8 0.2 ! !B4/B7 OK (Supported by 50 % of Strucutures) assign (resid 61 and name HN ) (resid 124 and name O ) 2.3 0.8 0.2 assign (resid 61 and name N ) (resid 124 and name O ) 3.3 0.8 0.2 ! !B4/B7 OK (Based on apo structure data for this exchange?) RTC assign (resid 126 and name HN ) (resid 61 and name O ) 2.3 0.8 0.2 assign (resid 126 and name N ) (resid 61 and name O ) 3.3 0.8 0.2 !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! B3:V43-A46 || B4:Q55-G61 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !B3/B4 OK assign (resid 46 and name HN ) (resid 58 and name O ) 2.3 0.8 0.2 assign (resid 46 and name N ) (resid 58 and name O ) 3.3 0.8 0.2 !B3/B4 OK assign (resid 44 and name HN ) (resid 60 and name O ) 2.3 0.8 0.2 assign (resid 44 and name N ) (resid 60 and name O ) 3.3 0.8 0.2 assign (resid 60 and name HN ) (resid 44 and name O ) 2.3 0.8 0.2 assign (resid 60 and name N ) (resid 44 and name O ) 3.3 0.8 0.2 !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! B3:V43-A46 || B4:Q55-G61 !! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !B2/B3 OK assign (resid 30 and name HN ) (resid 43 and name O ) 2.3 0.8 0.2 assign (resid 30 and name N ) (resid 43 and name O ) 3.3 0.8 0.2 !B2/B3 OK assign (resid 45 and name HN ) (resid 30 and name O ) 2.3 0.8 0.2 assign (resid 45 and name N ) (resid 30 and name O ) 3.3 0.8 0.2 !################################################ !################################################ !################################################ !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! Within B7/B8 loop RTC !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !Loop assign (resid 137 and name HN ) (resid 128 and name O ) 2.3 0.8 0.2 assign (resid 137 and name N ) (resid 128 and name O ) 3.3 0.8 0.2 !B2/B3 OK assign (resid 130 and name HN ) (resid 135 and name O ) 2.3 0.8 0.2 assign (resid 130 and name N ) (resid 135 and name O ) 3.3 0.8 0.2 !################################################ !################################################ !################################################ !################################################ !################################################ !################################################ !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! Within B6/B7 loop 310 HELIX !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! assign (resid 112 and name HN ) (resid 109 and name O ) 2.3 0.8 0.2 assign (resid 112 and name N ) (resid 109 and name O ) 3.3 0.8 0.2 assign (resid 111 and name HN ) (resid 108 and name O ) 2.3 0.8 0.2 assign (resid 111 and name N ) (resid 108 and name O ) 3.3 0.8 0.2 assign (resid 110 and name HN ) (resid 107 and name O ) 2.3 0.8 0.2 assign (resid 110 and name N ) (resid 107 and name O ) 3.3 0.8 0.2
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