==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-JUN-07 2Q5F . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1 . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES EGD-E; . AUTHOR G.PONCET-MONTANGE,L.ASSAIRI,S.AROLD,S.POCHET,G.LABESSE . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 6 0 1 0 0 0 0 1 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 0 1 0 0 0 0 1 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 1 A M 0 0 59 0, 0.0 29,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.3 10.8 36.4 24.3 2 2 A K E +a 30 0A 73 27,-0.2 35,-2.6 33,-0.1 36,-1.3 -0.626 360.0 161.9 -73.1 132.5 8.1 34.3 22.8 3 3 A Y E -ab 31 38A 5 27,-2.2 29,-2.8 -2,-0.3 2,-0.3 -0.960 22.8-165.3-145.2 162.1 8.9 30.6 23.1 4 4 A M E - b 0 39A 8 34,-1.9 36,-2.5 -2,-0.3 2,-0.4 -0.950 11.0-144.5-143.2 166.6 7.4 27.1 22.9 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.988 6.5-160.6-135.1 122.5 8.5 23.6 23.9 6 6 A T E - b 0 41A 15 34,-2.6 36,-2.1 -2,-0.4 2,-0.4 -0.790 14.1-156.9 -96.8 146.2 7.6 20.3 22.0 7 7 A S E - b 0 42A 32 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.948 28.8-128.1-124.6 146.8 8.0 17.0 23.9 8 8 A K - 0 0 127 34,-2.0 35,-0.1 -2,-0.4 -1,-0.1 0.739 54.4-121.9 -56.6 -28.1 8.4 13.4 22.7 9 9 A G S S+ 0 0 49 1,-0.4 2,-0.2 33,-0.2 -1,-0.1 0.569 70.2 121.1 96.0 10.3 5.4 12.8 25.0 10 10 A D S > S- 0 0 59 1,-0.1 4,-2.4 0, 0.0 -1,-0.4 -0.523 79.4 -96.2 -90.3 170.5 6.8 10.2 27.4 11 11 A E H > S+ 0 0 168 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.925 121.2 49.8 -52.6 -55.3 6.9 10.8 31.2 12 12 A K H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 115.0 41.9 -49.9 -52.2 10.6 12.0 31.3 13 13 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 113.0 52.1 -70.0 -40.9 10.2 14.6 28.4 14 14 A D H X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.885 111.6 47.2 -62.9 -40.8 6.8 15.9 29.6 15 15 A L H X S+ 0 0 102 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.907 110.3 51.4 -70.2 -43.3 8.0 16.6 33.1 16 16 A L H X S+ 0 0 25 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.903 111.3 49.6 -57.1 -41.6 11.2 18.3 31.9 17 17 A R H X S+ 0 0 65 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.919 109.8 49.8 -63.1 -47.6 9.0 20.5 29.7 18 18 A L H X S+ 0 0 100 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.914 112.1 49.1 -59.2 -43.4 6.7 21.4 32.6 19 19 A N H X S+ 0 0 109 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.866 110.7 49.2 -63.3 -39.2 9.8 22.3 34.8 20 20 A M H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.908 110.0 51.1 -67.5 -41.9 11.3 24.5 32.1 21 21 A I H X S+ 0 0 45 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.912 110.7 49.2 -59.7 -44.3 8.0 26.3 31.6 22 22 A A H < S+ 0 0 59 -4,-2.1 4,-0.3 2,-0.2 -1,-0.2 0.904 112.5 48.7 -59.6 -42.2 7.8 26.9 35.4 23 23 A G H >< S+ 0 0 22 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.881 108.6 51.9 -66.2 -40.8 11.4 28.2 35.2 24 24 A F H >< S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 5,-0.5 0.791 95.9 71.8 -64.0 -28.8 10.7 30.5 32.3 25 25 A G T 3< S+ 0 0 55 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.684 89.2 61.8 -59.0 -19.1 7.7 31.9 34.3 26 26 A E T < S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.406 106.9 49.5 -89.1 1.6 10.3 33.6 36.5 27 27 A Y S < S- 0 0 99 -3,-2.1 2,-1.8 2,-0.2 65,-0.0 -0.683 106.5 -81.5-125.3-179.9 11.6 35.7 33.6 28 28 A D S S+ 0 0 153 -2,-0.2 2,-0.4 63,-0.1 -3,-0.1 -0.564 82.3 131.0 -82.9 71.9 10.2 37.9 30.8 29 29 A M - 0 0 23 -2,-1.8 2,-0.5 -5,-0.5 -27,-0.2 -0.989 41.9-159.8-134.6 121.2 9.3 34.9 28.7 30 30 A E E -a 2 0A 110 -29,-1.5 -27,-2.2 -2,-0.4 2,-0.6 -0.893 18.6-131.1-105.2 125.0 5.9 34.3 27.1 31 31 A Y E +a 3 0A 73 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.665 40.4 159.3 -71.1 116.3 4.8 30.8 26.0 32 32 A D + 0 0 27 -29,-2.8 -2,-0.1 -2,-0.6 5,-0.0 -0.878 21.4 178.4-143.1 107.2 3.5 31.2 22.4 33 33 A D S S+ 0 0 86 -2,-0.3 -29,-0.1 2,-0.1 -1,-0.1 0.411 81.4 59.0 -89.0 2.0 3.2 28.2 20.2 34 34 A V S S+ 0 0 113 1,-0.1 -1,-0.1 21,-0.0 -30,-0.1 0.882 125.5 9.0 -90.2 -51.8 1.7 30.2 17.3 35 35 A E S S+ 0 0 29 -32,-0.1 -2,-0.1 26,-0.0 -33,-0.1 -0.453 84.1 166.7-128.4 61.2 4.5 32.8 16.8 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.376 30.2-160.0 -70.8 152.6 7.5 31.7 18.9 37 37 A E S S+ 0 0 88 -35,-2.6 26,-2.2 1,-0.3 2,-0.4 0.601 86.5 40.9 -98.3 -23.3 11.0 33.2 18.5 38 38 A I E -bc 3 63A 0 -36,-1.3 -34,-1.9 24,-0.2 2,-0.5 -0.997 68.0-166.2-126.3 130.2 12.6 30.1 20.3 39 39 A V E -bc 4 64A 0 24,-1.8 26,-2.5 -2,-0.4 2,-0.5 -0.968 7.0-165.5-117.8 115.2 11.5 26.5 19.7 40 40 A I E -bc 5 65A 0 -36,-2.5 -34,-2.6 -2,-0.5 2,-0.5 -0.883 2.5-161.3-103.2 128.8 12.8 24.0 22.3 41 41 A S E -bc 6 66A 2 24,-2.7 26,-3.2 -2,-0.5 2,-0.5 -0.950 3.8-168.2-111.2 130.4 12.6 20.4 21.4 42 42 A I E +bc 7 67A 0 -36,-2.1 -34,-2.0 -2,-0.5 2,-0.3 -0.962 58.3 40.9-121.9 112.1 12.8 17.7 24.2 43 43 A G E S- c 0 68A 1 24,-2.3 26,-2.1 -2,-0.5 27,-0.9 -0.905 97.6 -38.1 158.8-131.0 13.2 14.1 22.9 44 44 A G > - 0 0 22 -2,-0.3 4,-1.6 24,-0.2 29,-0.1 -0.376 69.9 -79.9-111.9-164.1 15.3 12.7 20.1 45 45 A D H > S+ 0 0 37 27,-0.4 4,-2.9 2,-0.2 5,-0.2 0.796 128.9 61.1 -71.0 -28.9 16.2 13.9 16.6 46 46 A G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 105.7 45.9 -59.5 -44.5 12.8 12.6 15.5 47 47 A T H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.888 112.9 51.0 -63.7 -41.2 11.1 15.1 17.9 48 48 A F H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.927 108.3 51.1 -63.2 -45.1 13.5 17.8 16.7 49 49 A L H X S+ 0 0 13 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.855 109.2 51.5 -59.4 -39.5 12.7 17.0 13.0 50 50 A S H X S+ 0 0 52 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.889 107.9 52.1 -65.0 -40.6 9.0 17.3 13.9 51 51 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.925 108.7 51.0 -58.2 -49.9 9.6 20.7 15.5 52 52 A F H < S+ 0 0 0 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.908 113.3 44.2 -52.7 -48.2 11.4 22.0 12.4 53 53 A H H >< S+ 0 0 23 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.816 106.9 60.0 -74.5 -31.1 8.5 20.9 10.2 54 54 A Q H 3< S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 3,-0.2 0.875 119.8 28.3 -52.8 -39.4 5.9 22.3 12.6 55 55 A Y T >< S+ 0 0 20 -4,-1.5 3,-1.9 -3,-0.2 -1,-0.2 0.064 77.9 121.7-119.3 24.0 7.5 25.8 12.1 56 56 A E G X S+ 0 0 53 -3,-0.7 3,-0.6 1,-0.3 -1,-0.1 0.612 70.5 63.8 -71.4 -11.6 9.0 25.8 8.6 57 57 A E G 3 S+ 0 0 179 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.544 110.5 38.7 -84.6 -10.7 7.0 28.8 7.5 58 58 A R G X S+ 0 0 66 -3,-1.9 3,-1.2 1,-0.1 4,-0.5 -0.107 73.3 130.4-130.0 38.7 8.7 31.0 10.1 59 59 A L G X S+ 0 0 6 -3,-0.6 3,-0.7 1,-0.3 181,-0.4 0.832 72.6 54.0 -60.5 -36.3 12.3 29.6 9.9 60 60 A D G 3 S+ 0 0 120 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.615 110.6 47.4 -77.7 -9.9 13.9 33.1 9.6 61 61 A E G < S+ 0 0 107 -3,-1.2 2,-0.4 -25,-0.1 -1,-0.2 0.409 105.1 72.8-104.9 -2.9 12.1 34.3 12.8 62 62 A I < - 0 0 4 -3,-0.7 178,-0.5 -4,-0.5 2,-0.4 -0.903 55.9-160.3-121.8 140.1 13.0 31.2 14.9 63 63 A A E -c 38 0A 4 -26,-2.2 -24,-1.8 -2,-0.4 178,-0.3 -0.992 24.9-144.3-112.5 129.7 16.1 29.9 16.7 64 64 A F E -cd 39 241A 0 176,-2.9 178,-2.1 -2,-0.4 2,-0.3 -0.637 16.8-175.8 -96.7 147.9 15.9 26.2 17.5 65 65 A I E -c 40 0A 0 -26,-2.5 -24,-2.7 -2,-0.2 2,-0.4 -0.997 9.0-154.3-140.4 139.9 17.3 24.3 20.6 66 66 A G E -c 41 0A 2 9,-0.4 12,-1.6 -2,-0.3 11,-0.8 -0.943 8.8-168.2-121.7 135.1 17.3 20.6 21.3 67 67 A I E -ce 42 78A 2 -26,-3.2 -24,-2.3 -2,-0.4 2,-0.5 -0.975 21.8-141.6-112.2 128.5 17.4 18.6 24.6 68 68 A H E +c 43 0A 48 10,-3.2 -24,-0.2 -2,-0.5 5,-0.1 -0.813 29.8 168.9-100.4 125.3 18.1 14.9 24.2 69 69 A T + 0 0 27 -26,-2.1 -25,-0.2 -2,-0.5 -1,-0.1 0.430 67.9 55.6-103.0 -8.7 16.3 12.4 26.4 70 70 A G S S- 0 0 30 -27,-0.9 3,-0.1 2,-0.2 -2,-0.0 0.074 100.1 -65.5 -66.1-166.9 17.6 9.6 24.2 71 71 A H S S+ 0 0 178 1,-0.1 2,-0.2 0, 0.0 -3,-0.1 0.942 102.1 11.2 79.3-159.4 19.9 8.0 22.8 72 72 A L - 0 0 94 -3,-0.0 -27,-0.4 184,-0.0 -2,-0.2 -0.562 52.1-170.9 -90.6 155.4 21.6 10.2 20.1 73 73 A G + 0 0 11 -2,-0.2 -5,-0.1 3,-0.1 -7,-0.1 -0.681 21.6 156.5-146.7 90.7 21.2 13.9 19.6 74 74 A F S S+ 0 0 19 -2,-0.2 -1,-0.1 1,-0.1 178,-0.1 0.776 96.3 34.7 -76.9 -30.8 22.8 15.4 16.5 75 75 A Y S S+ 0 0 8 -3,-0.1 2,-0.7 -10,-0.0 -9,-0.4 0.552 105.9 92.0 -98.2 -11.7 20.4 18.2 16.8 76 76 A A + 0 0 6 1,-0.1 -9,-0.2 -11,-0.1 -3,-0.1 -0.800 40.6 171.2 -71.9 119.1 20.5 18.1 20.7 77 77 A D + 0 0 16 -11,-0.8 2,-0.4 -2,-0.7 -10,-0.2 0.374 61.5 66.5 -67.2 -10.2 23.0 20.3 22.3 78 78 A W B -e 67 0A 4 -12,-1.6 -10,-3.2 3,-0.0 5,-0.0 -0.941 61.6-147.6-132.0 141.2 21.6 19.6 25.8 79 79 A R > - 0 0 135 -2,-0.4 3,-1.3 -12,-0.2 -10,-0.1 -0.639 38.1-110.8 -86.8 155.8 21.3 16.8 28.4 80 80 A P G > S+ 0 0 29 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.785 114.5 63.6 -55.4 -32.0 18.2 16.8 30.7 81 81 A A G 3 S+ 0 0 75 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.719 100.4 52.4 -68.4 -22.2 20.4 17.6 33.8 82 82 A E G <> S+ 0 0 44 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.238 74.0 109.6 -96.8 10.1 21.4 21.0 32.3 83 83 A A H <> S+ 0 0 3 -3,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.829 78.1 50.9 -56.9 -35.5 17.8 22.1 31.6 84 84 A D H > S+ 0 0 122 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.883 107.8 51.0 -69.4 -41.3 18.0 24.8 34.4 85 85 A K H > S+ 0 0 49 -3,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.887 110.7 51.4 -63.0 -38.8 21.3 26.3 33.1 86 86 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.894 106.8 51.2 -64.0 -46.9 19.6 26.5 29.6 87 87 A V H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.941 114.3 46.1 -53.2 -50.1 16.5 28.3 31.0 88 88 A K H X S+ 0 0 117 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.965 115.3 43.5 -58.1 -59.1 18.8 30.8 32.7 89 89 A L H <>S+ 0 0 47 -4,-2.9 5,-2.4 1,-0.2 -1,-0.2 0.883 116.8 48.1 -56.1 -42.7 21.1 31.4 29.7 90 90 A L H ><5S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.865 108.2 54.1 -67.9 -39.8 18.2 31.6 27.3 91 91 A A H 3<5S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.904 107.5 50.8 -60.5 -43.0 16.2 34.1 29.5 92 92 A K T 3<5S- 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.306 113.4-116.9 -81.1 10.1 19.2 36.5 29.6 93 93 A G T < 5 + 0 0 44 -3,-1.2 2,-1.2 1,-0.2 -3,-0.2 0.845 58.3 159.6 59.1 37.5 19.5 36.4 25.8 94 94 A E < + 0 0 90 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.502 32.5 88.4 -97.2 67.5 23.0 34.9 26.1 95 95 A Y - 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