NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
25521 |
2k9j   |
16497 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! hetero b3TM HN-HN NOEs (2H/13C/15N b3TM, unlabeled aIIbTM) assign (resid 109 and name HN ) (resid 110 and name HN ) 3.0 1.2 0.5 ! I 1 3.2 assign (resid 109 and name HN ) (resid 111 and name HN ) 4.0 2.2 1.0 ! I 1 4.1 assign (resid 110 and name HN ) (resid 113 and name HN ) 4.0 2.2 1.0 ! L 1 4.1 assign (resid 110 and name HN ) (resid 108 and name HN ) 4.0 2.2 1.0 ! L 1 3.2 assign (resid 110 and name HN ) (resid 111 and name HN ) 2.5 0.7 0.4 ! L 1 3.3 assign (resid 111 and name HN ) (resid 113 and name HN ) 4.0 2.2 1.0 ! V 1 4.1 assign (resid 112 and name HN ) (resid 111 and name HN ) 2.5 0.7 0.4 ! V 1 3.1 assign (resid 113 and name HN ) (resid 112 and name HN ) 2.5 0.7 0.4 ! L 1 3.0 assign (resid 114 and name HN ) (resid 117 and name HN ) 4.0 2.2 1.0 ! L 1 4.2 assign (resid 114 and name HN ) (resid 112 and name HN ) 4.0 2.2 1.0 ! L 1 3.5 assign (resid 115 and name HN ) (resid 112 and name HN ) 4.0 2.2 1.0 ! S 1 4.1 assign (resid 115 and name HN ) (resid 117 and name HN ) 4.0 2.2 1.0 ! S 1 4.0 assign (resid 115 and name HN ) (resid 114 and name HN ) 2.5 0.7 0.4 ! S 1 3.6 assign (resid 115 and name HN ) (resid 118 and name HN ) 4.0 2.2 1.0 ! S 1 4.4 assign (resid 116 and name HN ) (resid 118 and name HN ) 4.0 2.2 1.0 ! V 1 3.9 assign (resid 116 and name HN ) (resid 113 and name HN ) 4.0 2.2 1.0 ! V 1 3.9 assign (resid 116 and name HN ) (resid 114 and name HN ) 4.0 2.2 1.0 ! V 1 3.8 assign (resid 117 and name HN ) (resid 118 and name HN ) 2.5 0.7 0.4 ! M 1 3.1 assign (resid 117 and name HN ) (resid 116 and name HN ) 2.5 0.7 0.4 ! M 1 3.2 assign (resid 117 and name HN ) (resid 120 and name HN ) 4.0 2.2 1.0 ! M 1 4.4 assign (resid 118 and name HN ) (resid 120 and name HN ) 4.0 2.2 1.0 ! G 1 4.1 assign (resid 118 and name HN ) (resid 119 and name HN ) 2.5 0.7 0.4 ! G 1 2.8 assign (resid 119 and name HN ) (resid 122 and name HN ) 4.0 2.2 1.0 ! A 1 3.2 assign (resid 120 and name HN ) (resid 119 and name HN ) 2.5 0.7 0.4 ! I 1 3.1 assign (resid 121 and name HN ) (resid 120 and name HN ) 2.5 0.7 0.4 ! L 1 3.3 assign (resid 121 and name HN ) (resid 119 and name HN ) 4.0 2.2 1.0 ! L 1 3.1 assign (resid 121 and name HN ) (resid 123 and name HN ) 4.0 2.2 1.0 ! L 1 3.1 assign (resid 121 and name HN ) (resid 118 and name HN ) 4.0 2.2 1.0 ! L 1 4.0 assign (resid 122 and name HN ) (resid 120 and name HN ) 4.0 2.2 1.0 ! L 1 3.6 assign (resid 122 and name HN ) (resid 125 and name HN ) 4.0 2.2 1.0 ! L 1 3.8 assign (resid 122 and name HN ) (resid 121 and name HN ) 2.5 0.7 0.4 ! L 1 3.1 assign (resid 123 and name HN ) (resid 125 and name HN ) 4.0 2.2 1.0 ! I 1 3.0 assign (resid 124 and name HN ) (resid 125 and name HN ) 2.5 0.7 0.4 ! G 1 3.2 assign (resid 124 and name HN ) (resid 123 and name HN ) 2.5 0.7 0.4 ! G 1 3.0 assign (resid 126 and name HN ) (resid 125 and name HN ) 2.5 0.7 0.4 ! A 1 3.0 assign (resid 126 and name HN ) (resid 127 and name HN ) 2.5 0.7 0.4 ! A 1 3.0 assign (resid 126 and name HN ) (resid 128 and name HN ) 4.0 2.2 1.0 ! A 1 3.6 assign (resid 127 and name HN ) (resid 125 and name HN ) 4.0 2.2 1.0 ! A 1 3.1 assign (resid 128 and name HN ) (resid 125 and name HN ) 4.0 2.2 1.0 ! L 1 3.7 assign (resid 128 and name HN ) (resid 127 and name HN ) 2.5 0.7 0.4 ! L 1 2.9 assign (resid 130 and name HN ) (resid 131 and name HN ) 2.5 0.7 0.4 ! I 1 2.7 assign (resid 130 and name HN ) (resid 128 and name HN ) 4.0 2.2 1.0 ! I 1 3.6 assign (resid 130 and name HN ) (resid 127 and name HN ) 4.0 2.2 1.0 ! I 1 3.3 assign (resid 130 and name HN ) (resid 132 and name HN ) 4.0 2.2 1.0 ! I 1 3.4 assign (resid 131 and name HN ) (resid 128 and name HN ) 4.0 2.2 1.0 ! W 1 4.3 assign (resid 132 and name HN ) (resid 133 and name HN ) 2.5 0.7 0.4 ! K 1 3.0 assign (resid 132 and name HN ) (resid 131 and name HN ) 2.5 0.7 0.4 ! K 1 3.3 assign (resid 133 and name HN ) (resid 134 and name HN ) 2.5 0.7 0.4 ! L 1 2.8 assign (resid 133 and name HN ) (resid 136 and name HN ) 4.0 2.2 1.0 ! L 1 4.4 assign (resid 133 and name HN ) (resid 131 and name HN ) 4.0 2.2 1.0 ! L 1 3.4 assign (resid 134 and name HN ) (resid 137 and name HN ) 4.0 2.2 1.0 ! L 1 4.1 assign (resid 136 and name HN ) (resid 137 and name HN ) 2.5 0.7 0.4 ! T 1 4.0 assign (resid 136 and name HN ) (resid 138 and name HN ) 4.0 2.2 1.0 ! T 1 4.1 assign (resid 136 and name HN ) (resid 134 and name HN ) 4.0 2.2 1.0 ! T 1 4.5 assign (resid 137 and name HN ) (resid 138 and name HN ) 2.5 0.7 0.4 ! I 1 3.2 assign (resid 137 and name HN ) (resid 139 and name HN ) 4.0 2.2 1.0 ! I 1 3.8 assign (resid 138 and name HN ) (resid 140 and name HN ) 4.0 2.2 1.0 ! H 1 3.3 assign (resid 139 and name HN ) (resid 140 and name HN ) 3.0 1.2 0.5 ! D 1 3.2 assign (resid 139 and name HN ) (resid 141 and name HN ) 4.0 2.2 1.0 ! D 1 3.6 assign (resid 139 and name HN ) (resid 138 and name HN ) 3.0 1.2 0.5 ! D 1 3.3 assign (resid 140 and name HN ) (resid 141 and name HN ) 2.5 0.7 0.4 ! R 1 2.7 assign (resid 142 and name HN ) (resid 141 and name HN ) 2.5 0.7 0.4 ! E 1 2.5 !assign (resid 142 and name HN ) (resid 143 and name HN ) 2.5 0.7 0.4 ! E 1 2.3 ! intraresidual (i+0): 0 ! sequential (i+1): 27 ! short-range (i+2): 22 ! medium-range (i+3): 14 ! long-range (> i+3): 0 ! hetero aIIbTM HN-HN NOEs (2H/13C/15N aIIbTM, unlabeled b3TM), lower s/n assign (resid 13 and name HN ) (resid 15 and name HN ) 4.0 2.2 1.0 ! V 1 3.9 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 0.4 ! V 1 3.5 assign (resid 13 and name HN ) (resid 12 and name HN ) 2.5 0.7 0.4 ! V 1 3.4 assign (resid 15 and name HN ) (resid 14 and name HN ) 2.5 0.7 0.4 ! V 1 2.9 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.0 1.2 0.5 ! G 1 3.0 assign (resid 16 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! G 1 2.7 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.4 ! V 1 2.8 assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.4 ! L 1 3.2 assign (resid 21 and name HN ) (resid 20 and name HN ) 2.5 0.7 0.4 ! L 1 2.9 assign (resid 21 and name HN ) (resid 23 and name HN ) 4.0 2.2 1.0 ! L 1 3.3 assign (resid 21 and name HN ) (resid 19 and name HN ) 4.0 2.2 1.0 ! L 1 3.0 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.5 0.7 0.4 ! L 1 2.4 assign (resid 22 and name HN ) (resid 21 and name HN ) 2.5 0.7 0.4 ! L 1 2.5 assign (resid 24 and name HN ) (resid 23 and name HN ) 2.5 0.7 0.4 ! L 1 2.5 assign (resid 25 and name HN ) (resid 24 and name HN ) 2.5 0.7 0.4 ! T 1 3.1 assign (resid 25 and name HN ) (resid 26 and name HN ) 2.5 0.7 0.4 ! T 1 3.5 assign (resid 25 and name HN ) (resid 23 and name HN ) 4.0 2.2 1.0 ! T 1 3.5 assign (resid 27 and name HN ) (resid 26 and name HN ) 2.5 0.7 0.4 ! L 1 2.8 assign (resid 28 and name HN ) (resid 27 and name HN ) 2.5 0.7 0.4 ! V 1 2.9 assign (resid 29 and name HN ) (resid 26 and name HN ) 4.0 2.2 1.0 ! L 1 4.0 assign (resid 29 and name HN ) (resid 28 and name HN ) 2.5 0.7 0.4 ! L 1 2.8 assign (resid 29 and name HN ) (resid 27 and name HN ) 4.0 2.2 1.0 ! L 1 3.0 assign (resid 29 and name HN ) (resid 31 and name HN ) 4.0 2.2 1.0 ! L 1 3.0 assign (resid 31 and name HN ) (resid 30 and name HN ) 2.5 0.7 0.4 ! M 1 2.7 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.5 0.7 0.4 ! W 1 3.5 assign (resid 32 and name HN ) (resid 31 and name HN ) 2.5 0.7 0.4 ! W 1 4.0 assign (resid 34 and name HN ) (resid 36 and name HN ) 3.0 1.2 0.5 ! V 1 3.2 assign (resid 34 and name HN ) (resid 33 and name HN ) 3.0 1.2 0.5 ! V 1 3.4 assign (resid 36 and name HN ) (resid 35 and name HN ) 4.0 2.2 1.0 ! F 1 2.9 assign (resid 37 and name HN ) (resid 34 and name HN ) 4.0 2.2 1.0 ! F 1 4.3 xxx assign (resid 37 and name HN ) (resid 38 and name HN ) 4.0 2.2 1.0 ! F 1 3.6 assign (resid 39 and name HN ) (resid 40 and name HN ) 4.0 2.2 1.0 ! R 1 3.4 assign (resid 39 and name HN ) (resid 41 and name HN ) 4.0 2.2 1.0 ! R 1 3.3 assign (resid 40 and name HN ) (resid 41 and name HN ) 4.0 2.2 1.0 ! N 1 3.6 ! intraresidual (i+0): 0 ! sequential (i+1): 24 ! short-range (i+2): 8 ! medium-range (i+3): 2 ! long-range (> i+3): 0 !Ser ! i-i-3 Oy to O' 2.6 to 3.4 A, Chi1=+60 ! or i-i-4 Oy to O' 2.6 to 3.4 A, Chi1=-60 ! incorporate distance to H to get OH geometry right (O-H distance 0.96 A) assign (resid 115 and name HG ) (resid 111 and name O ) 1.87 0.12 0.12 ! i-i-4 implemented Ser H-bond ! Thr ! i-i-4 Oy to O' 2.6 to 3.4 A, Chi1=-60 (only possibility) ! incorporate distance to H to get OH geometry right (O-H distance 0.96 A) assign (resid 25 and name HG1 ) (resid 21 and name O ) 1.87 0.12 0.12 ! i-i-4 implemented H-bond assign (resid 136 and name HG1 ) (resid 132 and name O ) 1.87 0.12 0.12 ! i-i-4 implemented H-bond ! His ! ND1 to CO(i-4) 2.2 A, Chi1=-60, Chi2=+60 assign (resid 138 and name ND1 ) (resid 134 and name O ) 2.85 0.09 0.09 ! i-i-4 implemented H-bond, note no HD1 is psf ! a2b methyl to b3 all assign (resid 13 and name HG2#) (resid 113 and name HA ) 4.0 2.2 1.5 ! assign (resid 13 and name HG2#) (resid 113 and name HB# ) 4.0 2.2 1.5 ! assign (resid 13 and name HG2#) (resid 116 and name HA ) 4.0 2.2 1.5 ! assign (resid 23 and name HD1#) (resid 124 and name HA# ) 4.0 2.2 1.5 ! assign (resid 23 and name HD2#) (resid 121 and name HA ) 4.0 2.2 1.5 ! assign (resid 24 and name HD1#) (resid 125 and name HA ) 4.0 2.2 1.5 ! assign (resid 24 and name HD1#) (resid 125 and name HB# ) 4.0 2.2 1.5 ! assign (resid 24 and name HD2#) (resid 124 and name HA# ) 4.0 2.2 1.5 ! assign (resid 28 and name HG2#) (resid 128 and name HB# ) 4.0 2.2 1.5 ! ! b3 methyl to a2b all assign (resid 109 and name HD1#) (resid 10 and name HA ) 4.0 2.2 1.5 ! assign (resid 109 and name HD1#) (resid 12 and name HA ) 4.0 2.2 1.5 ! assign (resid 113 and name HD1#) (resid 12 and name HA ) 4.0 2.2 1.5 ! assign (resid 113 and name HD1#) (resid 13 and name HA ) 4.0 2.2 1.5 ! assign (resid 116 and name HG2#) (resid 17 and name HB ) 4.0 2.2 1.5 ! assign (resid 116 and name HG2#) (resid 16 and name HA# ) 4.0 2.2 1.5 ! assign (resid 120 and name HD1#) (resid 20 and name HA# ) 4.0 2.2 1.5 ! assign (resid 121 and name HD# ) (resid 23 and name HB# ) 4.0 2.2 1.5 ! assign (resid 121 and name HD# ) (resid 23 and name HA ) 4.0 2.2 1.5 ! assign (resid 135 and name HD1#) (resid 36 and name HA ) 4.0 2.2 1.5 ! assign (resid 135 and name HD1#) (resid 36 and name HB1 ) 4.0 2.2 1.5 ! assign (resid 135 and name HD1#) (resid 36 and name HB2 ) 4.0 2.2 1.5 ! assign (resid 135 and name HD1#) (resid 37 and name HA ) 4.0 2.2 1.5 ! assign (resid 135 and name HD1#) (resid 39 and name HB1 ) 4.0 2.2 1.5 ! assign (resid 135 and name HD1#) (resid 39 and name HB2 ) 4.0 2.2 1.5 ! assign (resid 135 and name HD1#) (resid 39 and name HG# ) 4.0 2.2 1.5 ! ! salt bridge in bicelles confirmed by mutagenesis assign (resid 39 and name HH12) (resid 139 and name OD1) 1.9 0.2 0.2 assign (resid 39 and name HH22) (resid 139 and name OD2) 1.9 0.2 0.2
Contact the webmaster for help, if required. Saturday, May 11, 2024 6:35:43 AM GMT (wattos1)