==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-FEB-07 2P0E . COMPND 2 MOLECULE: NICOTINAMIDE RIBOSIDE KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.M.RABEH,W.TEMPEL,L.NEDYALKOVA,R.LANDRY,C.H.ARROWSMITH, . 190 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 11 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -4 A V 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.7 12.7 -57.4 11.1 2 -3 A P - 0 0 116 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.267 360.0-144.3 -57.0 138.2 9.3 -55.7 10.7 3 -2 A R + 0 0 111 1,-0.1 84,-0.0 2,-0.1 87,-0.0 -0.498 65.8 71.6 -94.8 169.1 8.9 -53.4 7.8 4 -1 A G S S+ 0 0 25 -2,-0.2 80,-0.2 89,-0.1 -1,-0.1 0.125 78.4 79.7 115.8 -16.8 6.9 -50.2 7.5 5 0 A S + 0 0 79 -3,-0.3 2,-0.1 2,-0.0 77,-0.1 0.650 67.0 98.9 -99.3 -17.7 8.9 -47.7 9.6 6 1 A K + 0 0 69 75,-0.1 2,-0.3 76,-0.1 -2,-0.1 -0.439 47.1 174.6 -73.3 143.7 11.7 -46.8 7.1 7 2 A T - 0 0 43 87,-0.2 2,-0.5 -2,-0.1 89,-0.2 -0.942 26.9-140.2-141.8 160.2 11.4 -43.6 5.1 8 3 A F E -a 96 0A 24 87,-2.3 89,-2.0 -2,-0.3 2,-0.5 -0.978 21.9-166.7-125.8 118.7 13.6 -41.6 2.7 9 4 A I E -a 97 0A 2 -2,-0.5 106,-3.1 104,-0.3 107,-1.4 -0.917 1.9-166.3-116.1 123.3 13.5 -37.8 3.2 10 5 A I E -ab 98 116A 0 87,-2.8 89,-3.2 -2,-0.5 2,-0.5 -0.916 6.1-153.8-109.5 132.9 14.9 -35.4 0.6 11 6 A G E -ab 99 117A 0 105,-2.7 107,-2.6 -2,-0.4 2,-0.5 -0.913 8.9-174.6-103.3 131.0 15.5 -31.7 1.3 12 7 A I E +ab 100 118A 0 87,-2.5 89,-2.2 -2,-0.5 107,-0.2 -0.943 19.8 155.3-122.8 107.5 15.4 -29.1 -1.5 13 8 A S E + b 0 119A 0 105,-2.9 107,-2.6 -2,-0.5 2,-0.2 -0.480 4.7 130.1-115.3-171.0 16.5 -25.7 -0.4 14 9 A G E - b 0 120A 0 87,-0.3 107,-0.2 105,-0.3 3,-0.1 -0.732 56.1 -46.2 144.2 169.0 17.9 -22.7 -2.3 15 10 A V S > S- 0 0 2 105,-1.9 3,-0.8 -2,-0.2 5,-0.2 -0.156 73.9 -77.0 -62.6 159.7 17.5 -19.0 -3.0 16 11 A T T 3 S+ 0 0 15 1,-0.2 -1,-0.1 2,-0.1 115,-0.1 -0.226 115.4 16.6 -51.4 145.3 14.1 -17.4 -3.7 17 12 A N T 3 S+ 0 0 9 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.806 85.0 125.8 57.2 36.8 12.8 -17.9 -7.3 18 13 A S S < S- 0 0 1 -3,-0.8 -2,-0.1 -4,-0.1 -1,-0.1 0.436 84.5-100.0-104.9 1.1 15.2 -20.8 -8.1 19 14 A G S > S+ 0 0 29 101,-0.1 4,-2.3 -5,-0.1 5,-0.2 0.705 72.7 142.7 92.9 25.1 12.6 -23.4 -9.1 20 15 A K H > S+ 0 0 21 -5,-0.2 4,-2.5 2,-0.2 5,-0.1 0.918 72.6 44.5 -63.7 -46.9 12.4 -25.4 -5.9 21 16 A T H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 114.5 49.9 -69.0 -40.9 8.7 -26.2 -5.9 22 17 A T H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 110.9 48.9 -61.0 -44.5 8.8 -27.1 -9.6 23 18 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.939 110.4 51.7 -61.3 -47.2 11.7 -29.4 -9.0 24 19 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.914 112.1 46.5 -51.0 -49.1 9.9 -31.0 -6.1 25 20 A K H X S+ 0 0 119 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.886 111.9 49.8 -65.6 -40.3 6.8 -31.6 -8.2 26 21 A N H < S+ 0 0 27 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.909 113.0 47.3 -68.0 -40.6 8.8 -33.0 -11.2 27 22 A L H >< S+ 0 0 0 -4,-2.7 3,-1.7 -5,-0.2 4,-0.3 0.939 109.4 53.6 -61.8 -46.4 10.6 -35.4 -8.9 28 23 A Q H >< S+ 0 0 72 -4,-2.7 3,-1.3 1,-0.3 6,-0.2 0.893 102.3 58.8 -58.0 -40.0 7.3 -36.5 -7.2 29 24 A K T 3< S+ 0 0 114 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.672 113.4 39.4 -58.2 -19.8 5.9 -37.3 -10.7 30 25 A H T < S+ 0 0 98 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.236 103.9 76.2-119.7 10.6 8.7 -39.8 -11.2 31 26 A L S X S- 0 0 14 -3,-1.3 3,-0.6 -4,-0.3 2,-0.1 -0.984 78.0-121.5-127.3 135.6 9.0 -41.4 -7.7 32 27 A P T 3 S+ 0 0 102 0, 0.0 64,-0.3 0, 0.0 -2,-0.1 -0.462 89.1 2.8 -77.2 146.0 6.6 -43.9 -6.2 33 28 A N T 3 S+ 0 0 73 1,-0.2 63,-2.3 -2,-0.1 2,-0.5 0.907 93.5 156.6 50.4 52.9 4.7 -43.2 -3.0 34 29 A C E < -c 96 0A 15 -3,-0.6 2,-0.3 -6,-0.2 63,-0.2 -0.945 23.3-173.9-119.4 127.2 6.2 -39.7 -2.8 35 30 A S E -c 97 0A 45 61,-2.5 63,-2.8 -2,-0.5 2,-0.4 -0.775 11.9-144.4-112.4 165.1 4.8 -36.7 -1.0 36 31 A V E -c 98 0A 38 -2,-0.3 2,-0.4 61,-0.2 63,-0.2 -0.996 7.3-167.8-131.9 126.7 5.9 -33.0 -0.9 37 32 A I E -c 99 0A 22 61,-2.7 63,-2.7 -2,-0.4 2,-0.5 -0.972 14.5-150.4-110.5 133.0 5.7 -30.6 2.0 38 33 A S E > -c 100 0A 20 -2,-0.4 3,-1.9 61,-0.2 63,-0.2 -0.895 10.5-150.5-109.3 124.3 6.3 -26.9 1.1 39 34 A Q G > S+ 0 0 0 61,-2.9 3,-2.3 -2,-0.5 62,-0.2 0.827 94.8 69.6 -62.4 -30.5 7.9 -24.5 3.7 40 35 A D G > S+ 0 0 84 60,-0.3 3,-0.6 1,-0.3 -1,-0.3 0.601 85.9 69.5 -64.4 -14.6 6.0 -21.6 2.2 41 36 A D G < S+ 0 0 126 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.486 95.1 58.3 -75.1 -4.4 2.8 -23.2 3.6 42 37 A F G < + 0 0 23 -3,-2.3 24,-3.3 -4,-0.1 -1,-0.2 0.163 66.5 134.9-119.5 18.3 4.1 -22.3 7.2 43 38 A F B < -E 65 0B 69 -3,-0.6 22,-0.3 22,-0.2 3,-0.1 -0.449 56.6-117.8 -65.5 138.2 4.6 -18.5 7.3 44 39 A K - 0 0 70 20,-3.1 -1,-0.1 1,-0.1 5,-0.1 -0.322 42.6 -84.5 -64.1 156.2 3.2 -16.9 10.5 45 40 A P > - 0 0 88 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.310 44.5-105.8 -60.3 149.2 0.4 -14.3 10.0 46 41 A E G > S+ 0 0 107 1,-0.3 3,-1.6 2,-0.2 -2,-0.1 0.797 117.5 66.0 -50.9 -33.4 1.6 -10.7 9.1 47 42 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.744 101.6 49.4 -63.8 -20.4 0.8 -9.5 12.7 48 43 A E G < S+ 0 0 116 -3,-2.3 2,-0.5 16,-0.1 -1,-0.3 0.466 89.5 100.8 -95.1 -3.9 3.5 -11.8 14.1 49 44 A I < - 0 0 14 -3,-1.6 10,-0.1 -4,-0.4 2,-0.1 -0.724 66.2-143.0 -86.0 127.5 6.1 -10.6 11.5 50 45 A E - 0 0 139 -2,-0.5 8,-3.1 8,-0.4 2,-0.3 -0.336 5.3-134.7 -82.0 164.4 8.6 -8.1 13.0 51 46 A T B -F 57 0C 84 6,-0.3 6,-0.2 -2,-0.1 2,-0.1 -0.851 15.0-135.1-113.0 155.7 10.1 -5.1 11.2 52 47 A D > - 0 0 49 4,-1.5 3,-2.9 -2,-0.3 6,-0.0 -0.433 44.5 -74.5 -96.2-178.6 13.8 -4.0 11.3 53 48 A K T 3 S+ 0 0 134 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.793 134.4 45.3 -40.9 -42.6 15.4 -0.5 11.8 54 49 A N T 3 S- 0 0 137 93,-0.1 -1,-0.3 2,-0.1 93,-0.0 0.326 121.6-105.5 -90.4 7.8 14.4 0.5 8.3 55 50 A G < + 0 0 48 -3,-2.9 2,-0.5 1,-0.3 -2,-0.1 0.735 66.5 153.2 73.8 23.7 10.8 -0.8 8.6 56 51 A F - 0 0 41 91,-0.1 -4,-1.5 1,-0.0 -1,-0.3 -0.769 50.2-117.7 -82.8 130.3 11.4 -3.9 6.4 57 52 A L B -F 51 0C 44 -2,-0.5 2,-1.5 -6,-0.2 3,-0.3 -0.493 25.1-129.6 -63.5 129.6 9.1 -6.8 7.3 58 53 A Q + 0 0 34 -8,-3.1 -8,-0.4 -2,-0.2 3,-0.2 -0.645 56.5 137.6 -91.9 80.8 11.3 -9.7 8.4 59 54 A Y + 0 0 37 -2,-1.5 2,-0.5 1,-0.1 -1,-0.2 0.680 56.4 70.2 -92.6 -23.3 10.0 -12.6 6.3 60 55 A D S S+ 0 0 19 -3,-0.3 2,-0.3 3,-0.1 -1,-0.1 -0.199 86.1 79.6 -99.9 45.3 13.3 -14.2 5.3 61 56 A V S > S- 0 0 28 -2,-0.5 3,-1.8 -3,-0.2 4,-0.2 -0.958 89.7-108.3-144.4 155.6 14.3 -15.6 8.7 62 57 A L G > S+ 0 0 32 -2,-0.3 3,-1.9 1,-0.3 5,-0.3 0.811 113.1 68.7 -61.0 -28.8 13.2 -18.7 10.7 63 58 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.1 -3,-0.1 0.691 92.0 61.3 -65.3 -17.7 11.2 -16.5 13.2 64 59 A A G < S+ 0 0 1 -3,-1.8 -20,-3.1 -5,-0.1 2,-0.4 0.539 98.8 73.1 -77.3 -10.2 8.7 -15.7 10.3 65 60 A L B < S-E 43 0B 5 -3,-1.9 2,-1.7 -22,-0.3 -22,-0.2 -0.888 78.3-133.0-118.0 138.4 7.8 -19.4 10.0 66 61 A N > + 0 0 66 -24,-3.3 4,-1.7 -2,-0.4 5,-0.1 -0.647 35.9 167.9 -86.2 84.0 5.8 -21.7 12.2 67 62 A X H > S+ 0 0 8 -2,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.753 70.9 60.8 -77.2 -22.9 8.4 -24.4 12.2 68 63 A E H > S+ 0 0 152 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.916 106.9 47.1 -63.5 -41.9 6.7 -26.3 15.1 69 64 A K H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 110.5 52.8 -67.3 -37.2 3.6 -26.6 12.8 70 65 A X H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.922 108.0 50.2 -64.0 -43.7 5.9 -27.7 9.9 71 66 A X H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 107.7 53.8 -58.8 -42.4 7.4 -30.5 12.2 72 67 A S H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.891 107.8 51.3 -57.8 -41.3 3.8 -31.6 13.0 73 68 A A H X S+ 0 0 29 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.908 110.1 49.0 -62.2 -43.4 3.1 -31.9 9.2 74 69 A I H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 110.7 49.8 -60.5 -45.8 6.3 -34.0 8.8 75 70 A S H X S+ 0 0 74 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.872 108.4 53.6 -64.0 -36.3 5.2 -36.2 11.7 76 71 A C H X S+ 0 0 83 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.906 108.5 49.9 -62.6 -41.4 1.7 -36.5 10.1 77 72 A W H X S+ 0 0 22 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.941 108.6 52.5 -61.1 -47.2 3.4 -37.7 6.9 78 73 A X H X S+ 0 0 63 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.876 108.5 49.9 -56.7 -41.5 5.5 -40.2 8.7 79 74 A E H < S+ 0 0 103 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.939 113.9 45.0 -67.2 -44.3 2.4 -41.7 10.4 80 75 A S H >X S+ 0 0 74 -4,-2.2 3,-1.8 1,-0.2 4,-0.5 0.912 108.0 58.9 -58.1 -47.0 0.6 -42.0 7.0 81 76 A A H >< S+ 0 0 6 -4,-3.4 3,-1.2 1,-0.3 4,-0.3 0.851 97.0 61.4 -54.2 -38.8 3.8 -43.5 5.5 82 77 A R T 3< S+ 0 0 127 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.717 111.5 38.8 -60.4 -25.3 3.7 -46.3 8.0 83 78 A H T <4 S+ 0 0 132 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.373 93.3 90.2-102.7 3.6 0.3 -47.4 6.6 84 79 A S S << S+ 0 0 47 -3,-1.2 2,-0.4 -4,-0.5 -2,-0.1 0.573 83.3 52.1 -81.2 -11.4 1.1 -46.7 2.9 85 80 A V S S- 0 0 52 -4,-0.3 -1,-0.1 -3,-0.2 2,-0.1 -0.991 85.3-131.3-129.9 118.6 2.5 -50.2 2.1 86 81 A V - 0 0 125 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.415 33.9-101.2 -74.2 143.1 0.4 -53.2 3.0 87 82 A S + 0 0 109 -2,-0.1 2,-0.2 -4,-0.1 -1,-0.1 -0.410 62.0 126.6 -66.4 139.4 2.2 -56.0 4.8 88 83 A T - 0 0 115 1,-0.3 -1,-0.0 -2,-0.1 0, 0.0 -0.713 55.0 -22.6-156.1-141.1 3.4 -59.1 2.9 89 84 A D 0 0 145 -2,-0.2 -1,-0.3 1,-0.1 0, 0.0 -0.107 360.0 360.0 -73.9 171.8 6.6 -61.2 2.3 90 85 A Q 0 0 144 2,-0.0 -1,-0.1 -87,-0.0 0, 0.0 -0.071 360.0 360.0-131.4 360.0 10.3 -60.1 2.6 91 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 89 A E 0 0 91 0, 0.0 2,-0.8 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 140.0 11.2 -53.1 1.0 93 90 A E - 0 0 145 -87,-0.0 -89,-0.1 0, 0.0 -87,-0.1 -0.891 360.0-157.5 -94.7 107.2 9.1 -50.3 -0.7 94 91 A I - 0 0 58 -2,-0.8 -87,-0.2 -87,-0.1 -89,-0.0 -0.815 12.2-126.1 -98.2 117.2 10.3 -47.2 1.2 95 92 A P - 0 0 5 0, 0.0 -87,-2.3 0, 0.0 2,-0.4 -0.310 24.5-143.3 -58.2 144.5 8.0 -44.1 1.3 96 93 A I E -ac 8 34A 5 -63,-2.3 -61,-2.5 -64,-0.3 2,-0.4 -0.927 14.7-170.6-116.9 134.5 9.5 -40.8 0.1 97 94 A L E -ac 9 35A 0 -89,-2.0 -87,-2.8 -2,-0.4 2,-0.5 -0.989 6.5-160.3-120.4 133.0 9.0 -37.3 1.4 98 95 A I E -ac 10 36A 0 -63,-2.8 -61,-2.7 -2,-0.4 2,-0.6 -0.947 5.2-166.6-108.8 122.4 10.3 -34.2 -0.3 99 96 A I E -ac 11 37A 0 -89,-3.2 -87,-2.5 -2,-0.5 2,-0.4 -0.962 12.1-175.0-108.3 119.9 10.6 -31.1 1.9 100 97 A E E +ac 12 38A 3 -63,-2.7 -61,-2.9 -2,-0.6 -60,-0.3 -0.952 19.2 119.6-122.7 137.3 11.1 -28.0 -0.1 101 98 A G > - 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