NMR Restraints Grid
| |
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
Contact the webmaster for help, if required. Friday, May 17, 2024 11:48:15 AM GMT (wattos1)