==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-FEB-12 4DY6 . COMPND 2 MOLECULE: INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR G.PONCET-MONTANGE,L.ASSAIRI,S.AROLD,S.POCHET,G.LABESSE . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 27.1 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 . 4 1.6 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 . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 14.0 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 5 1 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 0 0 0 0 0 0 0 0 0 0 1 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 60 0, 0.0 29,-1.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 138.3 10.8 36.9 24.4 2 2 A K E +a 30 0A 60 27,-0.2 35,-1.9 33,-0.1 36,-1.1 -0.435 360.0 161.8 -68.7 139.5 8.2 34.6 22.9 3 3 A Y E -ab 31 38A 5 27,-1.8 29,-2.7 33,-0.2 2,-0.3 -0.985 21.2-166.2-152.7 156.8 9.0 30.8 23.1 4 4 A M E - b 0 39A 7 34,-1.9 36,-2.2 -2,-0.3 2,-0.4 -0.938 11.6-143.5-141.1 167.5 7.5 27.3 22.9 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.977 5.8-161.8-138.3 120.3 8.5 23.8 23.9 6 6 A T E - b 0 41A 18 34,-2.6 36,-1.5 -2,-0.4 2,-0.3 -0.695 14.7-156.8 -93.7 153.2 7.8 20.5 22.1 7 7 A S E - b 0 42A 32 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.993 28.7-128.4-134.3 142.1 8.1 17.2 23.9 8 8 A K - 0 0 127 34,-2.2 35,-0.1 -2,-0.3 3,-0.1 0.807 53.7-121.9 -51.7 -33.7 8.7 13.5 22.9 9 9 A G S S+ 0 0 49 1,-0.4 2,-0.2 33,-0.2 -1,-0.1 0.495 72.3 117.2 102.2 4.5 5.6 12.8 25.0 10 10 A D S > S- 0 0 62 1,-0.1 4,-2.4 0, 0.0 -1,-0.4 -0.556 81.0 -98.4 -89.6 167.9 7.0 10.3 27.5 11 11 A E H > S+ 0 0 165 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.901 120.5 54.4 -56.1 -51.2 7.1 11.2 31.3 12 12 A K H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 114.9 40.9 -45.0 -52.1 10.8 12.3 31.4 13 13 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.893 114.2 49.0 -71.9 -45.2 10.2 14.8 28.5 14 14 A D H X S+ 0 0 73 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.914 113.7 47.6 -61.2 -43.5 6.8 16.2 29.6 15 15 A L H X S+ 0 0 107 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.891 110.8 51.0 -65.3 -41.4 8.0 16.7 33.2 16 16 A L H X S+ 0 0 26 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.910 109.9 50.8 -61.8 -42.1 11.2 18.5 31.9 17 17 A R H X S+ 0 0 63 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.928 108.3 51.5 -61.6 -47.4 9.1 20.7 29.7 18 18 A L H X S+ 0 0 101 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.907 110.6 49.5 -59.8 -40.4 6.8 21.7 32.7 19 19 A N H X S+ 0 0 107 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.861 109.9 49.2 -65.9 -38.8 9.8 22.6 34.8 20 20 A M H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.898 110.3 51.5 -67.7 -40.2 11.4 24.8 32.1 21 21 A I H X S+ 0 0 44 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.925 111.2 47.7 -60.4 -43.9 8.1 26.6 31.6 22 22 A A H < S+ 0 0 59 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.922 112.0 50.4 -62.1 -43.0 8.0 27.2 35.4 23 23 A G H >< S+ 0 0 21 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.849 109.6 50.3 -60.4 -37.5 11.6 28.4 35.2 24 24 A F H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 5,-0.3 0.729 94.3 73.9 -72.5 -24.1 10.7 30.7 32.4 25 25 A G T 3< S+ 0 0 57 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.662 89.1 62.1 -61.9 -16.5 7.8 32.1 34.5 26 26 A E T < S+ 0 0 158 -3,-0.9 -1,-0.3 -4,-0.4 2,-0.3 0.249 103.7 55.5 -91.4 9.7 10.4 33.9 36.5 27 27 A Y S < S- 0 0 105 -3,-1.8 2,-2.2 2,-0.2 61,-0.0 -0.837 102.5 -82.1-137.3 171.2 11.6 36.1 33.6 28 28 A D S S+ 0 0 153 -2,-0.3 2,-0.3 63,-0.1 -3,-0.1 -0.514 89.9 118.7 -73.9 78.2 10.5 38.5 30.9 29 29 A M - 0 0 21 -2,-2.2 2,-0.4 -5,-0.3 -2,-0.2 -0.986 46.0-164.3-156.7 123.2 9.4 35.5 28.8 30 30 A E E -a 2 0A 110 -29,-1.0 -27,-1.8 -2,-0.3 2,-0.6 -0.960 23.1-122.4-124.7 141.2 6.1 34.4 27.4 31 31 A Y E +a 3 0A 74 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.660 40.3 159.5 -77.5 117.1 4.9 31.0 26.1 32 32 A D + 0 0 31 -29,-2.7 5,-0.1 -2,-0.6 -2,-0.1 -0.895 20.1 178.9-142.2 111.5 3.6 31.4 22.5 33 33 A D S S+ 0 0 78 -2,-0.3 -29,-0.1 2,-0.1 -1,-0.0 0.209 82.5 58.3 -94.2 12.5 3.4 28.4 20.1 34 34 A V S S+ 0 0 101 21,-0.0 -1,-0.1 1,-0.0 -30,-0.1 0.767 125.4 10.3-102.8 -45.2 1.9 30.4 17.3 35 35 A E S S+ 0 0 99 -32,-0.1 -33,-0.1 26,-0.0 -2,-0.1 -0.347 84.1 165.4-130.6 55.3 4.7 33.0 16.9 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.240 29.5-163.5 -65.5 157.0 7.7 31.9 18.9 37 37 A E S S+ 0 0 85 -35,-1.9 26,-2.3 1,-0.3 2,-0.4 0.532 85.6 42.6-104.4 -23.7 11.2 33.3 18.6 38 38 A I E -bc 3 63A 1 -36,-1.1 -34,-1.9 24,-0.2 2,-0.5 -0.994 68.1-169.4-123.0 132.5 12.7 30.4 20.4 39 39 A V E -bc 4 64A 0 24,-2.1 26,-2.6 -2,-0.4 2,-0.5 -0.982 5.7-165.5-125.2 115.5 11.6 26.8 19.9 40 40 A I E -bc 5 65A 0 -36,-2.2 -34,-2.6 -2,-0.5 2,-0.5 -0.905 1.8-161.6-105.8 128.3 12.9 24.2 22.3 41 41 A S E -bc 6 66A 0 24,-2.6 26,-3.2 -2,-0.5 2,-0.5 -0.936 2.2-165.4-110.8 129.1 12.6 20.5 21.4 42 42 A I E +bc 7 67A 0 -36,-1.5 -34,-2.2 -2,-0.5 2,-0.3 -0.959 59.1 34.6-120.5 118.5 12.9 17.9 24.2 43 43 A G E S- c 0 68A 3 24,-2.6 26,-1.2 -2,-0.5 27,-0.6 -0.901 99.7 -34.4 146.5-119.4 13.5 14.2 23.2 44 44 A G > - 0 0 24 -2,-0.3 4,-1.8 24,-0.2 23,-0.1 -0.485 69.4 -77.0-124.6-164.9 15.5 13.0 20.2 45 45 A D H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.835 127.6 57.7 -69.2 -32.7 16.4 14.1 16.7 46 46 A G H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 107.3 47.7 -60.4 -44.0 13.0 12.9 15.5 47 47 A T H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.917 112.8 49.8 -61.1 -41.6 11.3 15.3 18.0 48 48 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.938 107.9 52.0 -66.0 -46.7 13.7 18.0 16.7 49 49 A L H X S+ 0 0 15 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.881 110.5 49.2 -53.2 -42.8 12.8 17.3 13.1 50 50 A S H X S+ 0 0 74 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.892 107.8 53.8 -64.1 -42.2 9.1 17.6 13.9 51 51 A A H X S+ 0 0 1 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.933 109.1 50.6 -55.5 -46.2 9.7 20.9 15.7 52 52 A F H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.912 113.2 42.4 -59.0 -49.1 11.4 22.1 12.6 53 53 A H H >< S+ 0 0 47 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.784 105.5 64.3 -73.2 -28.0 8.6 21.2 10.2 54 54 A Q H 3< S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 118.5 26.6 -57.8 -34.9 6.0 22.5 12.7 55 55 A Y T >< S+ 0 0 16 -4,-1.2 3,-1.8 -3,-0.4 -1,-0.2 -0.018 77.9 126.3-123.4 32.0 7.5 26.0 12.1 56 56 A E G X S+ 0 0 52 -3,-0.9 3,-0.6 1,-0.3 -1,-0.1 0.646 70.7 63.3 -68.9 -15.0 9.0 25.9 8.6 57 57 A E G 3 S+ 0 0 156 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.533 109.2 40.4 -82.9 -7.1 7.0 29.0 7.5 58 58 A R G X S+ 0 0 43 -3,-1.8 3,-1.1 1,-0.1 4,-0.4 -0.097 71.3 129.4-131.2 35.9 8.9 31.1 10.2 59 59 A L G X S+ 0 0 4 -3,-0.6 3,-0.7 1,-0.2 181,-0.4 0.831 72.9 55.1 -61.9 -32.9 12.5 29.8 9.9 60 60 A D G 3 S+ 0 0 115 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.676 110.8 45.1 -76.6 -17.0 13.9 33.3 9.5 61 61 A E G < S+ 0 0 96 -3,-1.1 2,-0.4 -25,-0.1 -1,-0.2 0.316 103.1 78.2-106.2 5.3 12.3 34.5 12.8 62 62 A I < - 0 0 3 -3,-0.7 2,-0.5 -4,-0.4 178,-0.4 -0.909 55.4-158.2-122.4 141.5 13.1 31.4 15.0 63 63 A A E -c 38 0A 2 -26,-2.3 -24,-2.1 -2,-0.4 2,-0.3 -0.993 24.7-147.1-109.8 125.7 16.2 30.1 16.9 64 64 A F E -cd 39 241A 1 176,-2.7 178,-2.2 -2,-0.5 2,-0.3 -0.698 16.4-177.2 -94.1 141.5 16.0 26.4 17.6 65 65 A I E -c 40 0A 4 -26,-2.6 -24,-2.6 -2,-0.3 2,-0.4 -0.996 8.6-155.6-134.9 140.3 17.4 24.5 20.6 66 66 A G E -c 41 0A 1 9,-0.5 12,-0.9 -2,-0.3 2,-0.5 -0.896 8.6-166.5-119.2 142.7 17.4 20.8 21.4 67 67 A I E -ce 42 78A 0 -26,-3.2 -24,-2.6 -2,-0.4 2,-0.7 -0.990 15.1-147.2-119.8 128.2 17.6 18.8 24.6 68 68 A H E -c 43 0A 19 10,-2.6 -24,-0.2 -2,-0.5 -26,-0.1 -0.837 15.3-178.9 -98.5 111.5 18.3 15.0 24.3 69 69 A T S S+ 0 0 17 -26,-1.2 -1,-0.2 -2,-0.7 -25,-0.1 0.782 78.4 29.1 -78.4 -27.6 16.5 13.1 27.1 70 70 A G S S- 0 0 50 -27,-0.6 3,-0.1 1,-0.4 -2,-0.1 0.120 121.7 -16.0 -98.5-139.3 18.0 9.8 25.8 71 71 A H S S- 0 0 162 1,-0.1 -1,-0.4 -2,-0.0 185,-0.1 -0.117 91.5 -70.6 -61.7 162.6 21.4 9.3 24.0 72 72 A L - 0 0 39 183,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.250 52.9-155.0 -60.7 140.3 23.2 12.2 22.4 73 73 A G - 0 0 3 3,-1.3 -5,-0.1 -3,-0.1 -1,-0.1 -0.669 23.3-131.8-112.3 165.5 21.6 13.8 19.3 74 74 A F S S+ 0 0 19 -2,-0.2 3,-0.1 182,-0.0 -1,-0.1 0.813 113.6 24.0 -85.0 -34.0 23.0 15.8 16.4 75 75 A Y S S+ 0 0 6 1,-0.2 2,-1.3 -10,-0.1 -9,-0.5 0.843 118.7 62.3 -93.2 -43.2 20.3 18.4 16.7 76 76 A A + 0 0 0 1,-0.1 -3,-1.3 -11,-0.1 -1,-0.2 -0.649 62.2 158.6 -86.4 94.3 19.5 17.9 20.4 77 77 A D + 0 0 19 -2,-1.3 2,-0.3 -11,-0.4 -10,-0.2 -0.003 39.2 82.2-120.1 29.8 22.7 18.8 22.1 78 78 A W B S-e 67 0A 10 -12,-0.9 -10,-2.6 5,-0.0 -5,-0.1 -0.948 70.1-130.8-106.8 151.3 22.0 19.7 25.8 79 79 A R > - 0 0 128 -2,-0.3 3,-1.3 -12,-0.2 -10,-0.1 -0.604 24.2-113.5 -89.9 158.9 21.5 17.0 28.5 80 80 A P G > S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.805 113.3 64.2 -61.6 -33.2 18.4 17.2 30.9 81 81 A A G 3 S+ 0 0 83 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.602 100.8 54.4 -68.0 -10.9 20.5 18.0 34.0 82 82 A E G <> S+ 0 0 28 -3,-1.3 4,-1.4 1,-0.1 -1,-0.3 0.167 75.6 105.3-104.4 15.6 21.5 21.2 32.3 83 83 A A H <> S+ 0 0 4 -3,-1.7 4,-2.1 1,-0.2 -1,-0.1 0.874 79.1 48.9 -64.4 -39.3 17.9 22.4 31.7 84 84 A D H > S+ 0 0 122 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.851 109.3 51.8 -71.9 -36.1 18.0 25.1 34.5 85 85 A K H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.817 110.6 51.4 -65.2 -30.9 21.3 26.5 33.2 86 86 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.903 105.5 52.4 -73.7 -45.6 19.7 26.8 29.8 87 87 A V H X S+ 0 0 6 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.894 111.9 48.6 -53.7 -44.0 16.6 28.6 31.0 88 88 A K H >X S+ 0 0 135 -4,-1.6 4,-0.7 2,-0.2 3,-0.6 0.947 111.2 46.7 -63.5 -52.5 18.8 31.2 32.7 89 89 A L H 3<>S+ 0 0 32 -4,-1.8 5,-1.4 1,-0.3 3,-0.4 0.831 110.9 53.1 -64.4 -34.3 21.1 31.8 29.7 90 90 A L H ><5S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -1,-0.3 0.776 93.6 74.8 -68.1 -29.4 18.2 32.1 27.3 91 91 A A H <<5S+ 0 0 28 -4,-1.1 2,-0.5 -3,-0.6 -1,-0.2 0.861 104.6 33.0 -52.9 -44.7 16.6 34.8 29.6 92 92 A K T 3<5S- 0 0 171 -4,-0.7 -1,-0.3 -3,-0.4 -4,-0.0 -0.771 111.0-101.2-117.0 85.3 19.1 37.5 28.5 93 93 A G T < 5 + 0 0 59 -2,-0.5 2,-0.4 -3,-0.5 -3,-0.2 0.497 61.9 162.0 2.2 60.9 20.0 36.9 24.9 94 94 A E < + 0 0 111 -5,-1.4 2,-0.3 -6,-0.1 -1,-0.2 -0.151 43.6 82.0 -93.0 39.0 23.2 35.4 26.1 95 95 A Y - 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