==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JUL-07 2QT1 . 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, . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10741.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.2 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 . 12 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 27.0 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 1 1 0 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 L 0 0 226 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.7 12.6 -60.9 10.2 2 -3 A V - 0 0 129 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.659 360.0-110.1 -73.6 119.0 12.9 -57.2 11.0 3 -2 A P - 0 0 111 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.268 33.7-142.4 -54.3 137.7 9.4 -55.7 10.7 4 -1 A R + 0 0 181 1,-0.1 84,-0.0 2,-0.1 79,-0.0 -0.451 67.0 70.7 -93.3 169.7 8.9 -53.4 7.7 5 0 A G S S+ 0 0 26 -2,-0.1 80,-0.2 87,-0.1 -1,-0.1 0.181 78.7 82.1 112.7 -16.9 6.9 -50.2 7.5 6 1 A S + 0 0 78 -3,-0.3 2,-0.2 2,-0.0 77,-0.1 0.654 66.0 98.4 -99.1 -17.3 8.9 -47.8 9.6 7 2 A K + 0 0 69 75,-0.1 2,-0.3 76,-0.1 -2,-0.0 -0.454 46.8 176.4 -72.3 140.8 11.6 -46.8 7.1 8 3 A T - 0 0 42 -2,-0.2 2,-0.4 85,-0.2 87,-0.2 -0.920 23.4-142.9-134.7 160.4 11.3 -43.5 5.2 9 4 A F E -a 95 0A 26 85,-2.2 87,-2.4 -2,-0.3 2,-0.5 -0.985 21.5-165.5-126.1 118.2 13.6 -41.6 2.7 10 5 A I E -a 96 0A 3 -2,-0.4 104,-2.5 102,-0.3 105,-1.4 -0.922 4.3-166.7-117.0 126.3 13.5 -37.9 3.1 11 6 A I E -ab 97 115A 0 85,-3.1 87,-3.2 -2,-0.5 2,-0.5 -0.923 6.4-153.8-114.2 131.7 14.8 -35.4 0.6 12 7 A G E -ab 98 116A 0 103,-2.8 105,-2.6 -2,-0.5 2,-0.5 -0.909 9.2-175.3-103.0 128.0 15.5 -31.8 1.2 13 8 A I E +ab 99 117A 0 85,-2.4 87,-2.3 -2,-0.5 105,-0.2 -0.962 20.4 153.3-121.5 108.9 15.4 -29.2 -1.6 14 9 A S E + b 0 118A 0 103,-2.8 105,-2.5 -2,-0.5 2,-0.2 -0.544 4.1 129.6-120.0-171.6 16.4 -25.7 -0.5 15 10 A G E - b 0 119A 1 85,-0.3 105,-0.2 103,-0.3 3,-0.1 -0.738 56.2 -44.9 146.6 167.8 17.9 -22.8 -2.4 16 11 A V S > S- 0 0 3 103,-1.7 3,-0.9 -2,-0.2 5,-0.3 -0.156 75.0 -74.3 -59.4 159.9 17.5 -19.2 -3.0 17 12 A T T 3 S+ 0 0 13 1,-0.2 113,-0.1 2,-0.1 -1,-0.1 -0.248 115.5 12.2 -51.6 140.7 14.1 -17.6 -3.8 18 13 A N T 3 S+ 0 0 10 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.803 86.2 126.0 59.8 37.0 12.8 -18.2 -7.3 19 14 A S S < S- 0 0 0 -3,-0.9 -2,-0.1 -4,-0.1 -1,-0.1 0.391 85.4 -96.6-108.0 5.6 15.3 -20.9 -8.1 20 15 A G S > S+ 0 0 28 -4,-0.1 4,-2.4 -5,-0.1 5,-0.2 0.681 75.3 140.4 95.2 22.0 12.8 -23.6 -9.1 21 16 A K H > S+ 0 0 19 -5,-0.3 4,-2.5 2,-0.2 5,-0.2 0.930 73.3 44.9 -69.4 -45.7 12.5 -25.5 -5.9 22 17 A T H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 114.4 48.3 -67.2 -41.9 8.8 -26.2 -6.0 23 18 A T H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 111.8 50.7 -63.3 -42.5 8.8 -27.2 -9.7 24 19 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.940 109.7 50.3 -59.8 -49.2 11.8 -29.5 -9.1 25 20 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 113.0 46.4 -54.4 -45.1 10.0 -31.2 -6.1 26 21 A K H X S+ 0 0 120 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.881 111.4 50.5 -69.1 -34.6 6.9 -31.7 -8.3 27 22 A N H < S+ 0 0 27 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.871 112.7 47.2 -70.7 -39.6 8.8 -33.1 -11.2 28 23 A L H >< S+ 0 0 0 -4,-2.5 3,-1.7 -5,-0.2 4,-0.3 0.933 109.6 53.9 -62.4 -47.3 10.6 -35.5 -8.9 29 24 A Q H >< S+ 0 0 70 -4,-2.5 3,-1.2 1,-0.3 6,-0.2 0.867 101.4 58.3 -56.6 -38.4 7.4 -36.5 -7.3 30 25 A K T 3< S+ 0 0 112 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.645 113.6 40.7 -63.5 -17.1 5.8 -37.4 -10.7 31 26 A H T < S+ 0 0 101 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.259 104.2 74.0-118.1 11.2 8.7 -39.9 -11.2 32 27 A L S X S- 0 0 13 -3,-1.2 3,-0.7 -4,-0.3 2,-0.1 -0.981 78.3-120.0-127.1 139.5 9.0 -41.4 -7.8 33 28 A P T 3 S+ 0 0 101 0, 0.0 62,-0.3 0, 0.0 -2,-0.1 -0.449 88.5 2.6 -84.1 153.5 6.6 -43.9 -6.2 34 29 A N T 3 S+ 0 0 74 1,-0.2 61,-2.2 60,-0.1 2,-0.4 0.875 93.1 155.8 44.0 50.9 4.7 -43.2 -3.0 35 30 A C E < -c 95 0A 14 -3,-0.7 2,-0.3 -6,-0.2 61,-0.2 -0.917 23.6-173.1-112.9 130.4 6.2 -39.7 -2.8 36 31 A S E -c 96 0A 45 59,-2.4 61,-2.6 -2,-0.4 2,-0.4 -0.815 11.8-143.9-116.4 160.2 4.8 -36.7 -1.0 37 32 A V E -c 97 0A 40 -2,-0.3 2,-0.5 59,-0.2 61,-0.2 -0.994 8.4-169.4-127.0 129.1 5.9 -33.0 -0.9 38 33 A I E -c 98 0A 23 59,-2.7 61,-2.4 -2,-0.4 2,-0.5 -0.976 14.4-151.9-112.0 132.2 5.8 -30.6 1.9 39 34 A S E > -c 99 0A 23 -2,-0.5 3,-1.9 59,-0.2 61,-0.2 -0.919 11.2-147.0-109.5 124.9 6.4 -27.0 1.1 40 35 A Q G > S+ 0 0 0 59,-2.9 3,-2.3 -2,-0.5 60,-0.2 0.800 94.8 69.0 -54.4 -36.3 7.9 -24.6 3.7 41 36 A D G > S+ 0 0 76 1,-0.3 3,-0.8 58,-0.3 -1,-0.3 0.641 84.9 70.4 -65.8 -14.2 6.0 -21.6 2.3 42 37 A D G < S+ 0 0 122 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.529 95.9 56.6 -73.5 -0.3 2.8 -23.2 3.6 43 38 A F G < + 0 0 23 -3,-2.3 24,-3.1 -4,-0.1 -1,-0.2 0.169 68.8 134.1-122.2 14.9 4.0 -22.4 7.2 44 39 A F B < -E 66 0B 66 -3,-0.8 22,-0.3 22,-0.2 3,-0.1 -0.403 57.3-116.4 -62.1 143.9 4.6 -18.7 7.2 45 40 A K - 0 0 72 20,-3.3 -1,-0.1 1,-0.1 2,-0.1 -0.306 39.5 -85.7 -71.0 161.4 3.2 -16.9 10.3 46 41 A P > - 0 0 90 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.410 44.5-106.7 -62.0 151.8 0.4 -14.3 9.9 47 42 A E G > S+ 0 0 56 1,-0.3 3,-1.3 2,-0.2 -2,-0.1 0.771 116.4 65.7 -57.2 -28.1 1.7 -10.8 9.1 48 43 A S G 3 S+ 0 0 104 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.715 102.4 48.3 -64.5 -24.1 0.9 -9.5 12.7 49 44 A E G < S+ 0 0 126 -3,-2.1 2,-0.5 16,-0.1 -1,-0.3 0.399 93.2 97.2 -94.5 -1.4 3.5 -11.9 14.0 50 45 A I S < S- 0 0 14 -3,-1.3 10,-0.1 -4,-0.3 2,-0.1 -0.785 70.6-138.2 -91.6 128.6 6.1 -10.7 11.4 51 46 A E - 0 0 87 -2,-0.5 8,-3.3 8,-0.4 2,-0.4 -0.379 7.1-140.9 -81.2 159.3 8.5 -8.0 12.7 52 47 A T B -F 58 0C 90 6,-0.3 6,-0.2 -2,-0.1 5,-0.0 -0.985 16.4-135.9-119.9 138.8 9.6 -4.9 10.7 53 48 A D > - 0 0 51 4,-2.5 3,-1.7 -2,-0.4 6,-0.0 -0.089 38.2 -80.9 -81.8-175.9 13.2 -3.5 10.8 54 49 A K T 3 S+ 0 0 128 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.798 129.7 48.6 -49.0 -40.4 14.5 0.1 11.1 55 50 A N T 3 S- 0 0 132 91,-0.1 -1,-0.3 2,-0.1 91,-0.0 0.318 122.4-102.1 -92.8 5.1 13.9 0.8 7.4 56 51 A G S < S+ 0 0 50 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.524 71.8 145.6 89.9 8.5 10.4 -0.6 7.4 57 52 A F - 0 0 32 89,-0.1 -4,-2.5 85,-0.1 -1,-0.3 -0.640 50.6-123.8 -82.3 127.5 11.1 -4.0 5.7 58 53 A L B -F 52 0C 53 -2,-0.4 2,-1.5 -6,-0.2 3,-0.3 -0.546 21.7-126.4 -67.5 135.6 9.0 -6.9 6.9 59 54 A Q + 0 0 40 -8,-3.3 -8,-0.4 -2,-0.2 3,-0.2 -0.588 59.3 134.9 -89.8 78.0 11.2 -9.7 8.3 60 55 A Y + 0 0 32 -2,-1.5 2,-0.9 1,-0.2 -1,-0.2 0.734 54.4 71.7 -91.0 -24.7 10.0 -12.7 6.2 61 56 A D S S+ 0 0 15 -3,-0.3 2,-0.3 3,-0.1 -1,-0.2 -0.188 85.2 79.8 -99.3 47.0 13.3 -14.3 5.2 62 57 A V S > S- 0 0 25 -2,-0.9 3,-1.9 -3,-0.2 4,-0.2 -0.954 88.8-108.7-146.0 156.1 14.2 -15.6 8.6 63 58 A L G > S+ 0 0 36 -2,-0.3 3,-2.0 1,-0.3 5,-0.2 0.830 113.1 68.1 -61.5 -29.6 13.2 -18.7 10.7 64 59 A E G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.1 -3,-0.1 0.670 92.0 61.8 -62.2 -17.7 11.3 -16.5 13.1 65 60 A A G < S+ 0 0 1 -3,-1.9 -20,-3.3 -5,-0.1 2,-0.4 0.500 97.4 71.4 -83.5 -5.0 8.8 -15.8 10.3 66 61 A L B < S-E 44 0B 5 -3,-2.0 2,-1.6 -22,-0.3 -22,-0.2 -0.895 78.3-129.6-119.7 142.3 7.8 -19.5 10.1 67 62 A N > + 0 0 64 -24,-3.1 4,-1.8 -2,-0.4 5,-0.1 -0.663 37.5 168.4 -85.3 83.3 5.8 -21.8 12.3 68 63 A X H > S+ 0 0 9 -2,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.769 72.1 60.0 -75.3 -24.6 8.4 -24.5 12.2 69 64 A E H > S+ 0 0 152 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 107.1 47.3 -61.8 -43.5 6.7 -26.4 15.0 70 65 A K H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.888 110.8 51.8 -62.8 -39.8 3.6 -26.6 12.7 71 66 A X H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.927 108.8 50.4 -66.1 -40.3 5.9 -27.8 9.9 72 67 A X H X S+ 0 0 62 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.917 107.3 53.8 -59.5 -42.0 7.4 -30.4 12.1 73 68 A S H X S+ 0 0 70 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 107.7 51.3 -59.8 -40.7 3.9 -31.6 13.0 74 69 A A H X S+ 0 0 28 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 108.8 50.5 -62.9 -42.0 3.1 -31.9 9.3 75 70 A I H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.938 110.7 49.9 -59.0 -44.6 6.3 -34.0 8.8 76 71 A S H X S+ 0 0 70 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.909 107.8 53.0 -64.2 -37.2 5.2 -36.2 11.6 77 72 A C H X S+ 0 0 84 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.918 108.9 49.9 -65.1 -41.9 1.7 -36.6 10.1 78 73 A W H X S+ 0 0 22 -4,-2.3 4,-3.4 1,-0.2 -2,-0.2 0.938 108.5 53.6 -57.9 -43.4 3.3 -37.7 6.8 79 74 A X H X S+ 0 0 62 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.903 108.6 48.9 -60.9 -38.3 5.5 -40.2 8.7 80 75 A E H < S+ 0 0 102 -4,-2.1 4,-0.4 2,-0.2 3,-0.2 0.944 114.2 45.4 -66.6 -45.6 2.4 -41.7 10.4 81 76 A S H >< S+ 0 0 75 -4,-2.2 3,-2.0 1,-0.2 4,-0.5 0.936 108.0 58.4 -60.5 -42.1 0.6 -42.0 7.1 82 77 A A H >< S+ 0 0 5 -4,-3.4 3,-1.2 1,-0.3 4,-0.3 0.834 96.0 63.6 -61.3 -32.9 3.7 -43.4 5.5 83 78 A R T 3< S+ 0 0 127 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.672 110.5 37.9 -66.9 -17.7 3.7 -46.3 8.0 84 79 A H T < S+ 0 0 132 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.340 92.1 92.3-111.2 7.4 0.4 -47.5 6.6 85 80 A S S < S+ 0 0 47 -3,-1.2 2,-0.5 -4,-0.5 -2,-0.1 0.575 81.4 54.3 -81.2 -11.8 1.1 -46.7 2.9 86 81 A V S S- 0 0 49 -4,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.975 86.3-129.6-126.3 116.0 2.5 -50.2 2.0 87 82 A V - 0 0 124 -2,-0.5 2,-0.1 1,-0.1 -2,-0.1 -0.334 34.4 -98.4 -67.8 145.8 0.3 -53.2 2.8 88 83 A S 0 0 116 -4,-0.1 -1,-0.1 1,-0.0 -83,-0.0 -0.355 360.0 360.0 -70.7 138.8 2.1 -56.0 4.7 89 84 A T 0 0 175 -3,-0.1 -1,-0.0 -2,-0.1 -3,-0.0 -0.755 360.0 360.0-153.4 360.0 3.4 -59.0 2.8 90 ! 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 91 90 A E 0 0 95 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.0 11.2 -53.1 0.8 92 91 A E - 0 0 143 -85,-0.0 -87,-0.1 -6,-0.0 -85,-0.1 -0.883 360.0-158.3 -98.7 106.1 9.2 -50.2 -0.7 93 92 A I - 0 0 59 -2,-0.8 -85,-0.2 -85,-0.1 -84,-0.0 -0.776 14.7-124.4 -99.3 116.9 10.3 -47.1 1.3 94 93 A P - 0 0 4 0, 0.0 -85,-2.2 0, 0.0 2,-0.4 -0.301 26.2-140.4 -58.2 147.1 8.0 -44.2 1.3 95 94 A I E -ac 9 35A 5 -61,-2.2 -59,-2.4 -62,-0.3 2,-0.4 -0.913 16.6-172.5-119.0 133.4 9.5 -40.8 0.1 96 95 A L E -ac 10 36A 0 -87,-2.4 -85,-3.1 -2,-0.4 2,-0.5 -0.992 6.0-163.2-119.4 133.4 9.1 -37.3 1.4 97 96 A I E -ac 11 37A 0 -61,-2.6 -59,-2.7 -2,-0.4 2,-0.5 -0.952 5.0-167.5-111.0 124.3 10.4 -34.3 -0.3 98 97 A I E -ac 12 38A 0 -87,-3.2 -85,-2.4 -2,-0.5 2,-0.4 -0.978 12.1-175.4-110.3 124.4 10.5 -31.2 1.9 99 98 A E E +ac 13 39A 6 -61,-2.4 -59,-2.9 -2,-0.5 -58,-0.3 -0.947 18.6 123.3-126.4 132.7 11.2 -28.1 -0.2 100 99 A G > - 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