==== 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 16-AUG-06 2I2F . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1 . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR G.PONCET-MONTANGE,L.ASSAIRI,S.AROLD,S.POCHET,G.LABESSE . 262 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 26.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 30 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 2 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 0 1 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 49 0, 0.0 29,-1.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.2 11.3 36.8 24.5 2 2 A K E +a 30 0A 60 27,-0.2 35,-2.5 33,-0.1 36,-1.4 -0.555 360.0 161.0 -74.3 134.8 8.5 34.7 23.0 3 3 A Y E -ab 31 38A 6 27,-2.4 29,-3.0 -2,-0.3 2,-0.3 -0.945 23.8-162.9-146.0 163.5 9.0 30.9 23.2 4 4 A M E - b 0 39A 7 34,-1.8 36,-2.6 -2,-0.3 2,-0.4 -0.967 11.4-143.5-143.5 164.0 7.4 27.5 23.0 5 5 A I E - b 0 40A 3 -2,-0.3 2,-0.4 34,-0.2 36,-0.2 -0.997 6.7-159.4-129.1 129.1 8.3 24.0 24.0 6 6 A T E - b 0 41A 19 34,-2.8 36,-2.4 -2,-0.4 2,-0.4 -0.854 13.6-156.6-100.3 143.8 7.4 20.8 22.2 7 7 A S E - b 0 42A 33 -2,-0.4 36,-0.2 34,-0.2 7,-0.1 -0.929 27.6-129.6-121.3 146.5 7.4 17.5 24.1 8 8 A K - 0 0 107 34,-2.1 35,-0.1 -2,-0.4 -1,-0.1 0.746 53.0-121.5 -56.8 -27.7 7.8 13.9 22.9 9 9 A G S S+ 0 0 49 1,-0.4 2,-0.1 33,-0.2 -1,-0.1 0.395 71.9 120.0 99.8 -3.7 4.7 13.3 25.1 10 10 A D S > S- 0 0 63 1,-0.1 4,-2.2 4,-0.0 -1,-0.4 -0.419 80.2-100.0 -80.3 170.0 5.9 10.7 27.5 11 11 A E H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 119.9 54.0 -60.1 -44.6 5.9 11.4 31.3 12 12 A K H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 113.4 40.1 -53.3 -54.0 9.6 12.3 31.4 13 13 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 113.6 54.0 -69.2 -39.3 9.5 14.9 28.6 14 14 A D H X S+ 0 0 68 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.906 110.4 46.3 -60.9 -45.2 6.1 16.4 29.7 15 15 A L H X S+ 0 0 100 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.849 110.6 52.0 -67.8 -38.8 7.4 17.0 33.3 16 16 A L H X S+ 0 0 29 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.907 110.3 50.5 -62.2 -41.1 10.6 18.6 32.0 17 17 A R H X S+ 0 0 65 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 109.6 49.4 -61.9 -47.4 8.5 20.9 29.9 18 18 A L H X S+ 0 0 103 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.909 111.0 50.1 -59.9 -44.1 6.3 21.9 32.8 19 19 A N H X S+ 0 0 109 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.854 109.9 50.1 -62.2 -39.1 9.4 22.7 35.0 20 20 A M H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.900 110.7 49.2 -67.2 -42.3 11.0 24.8 32.3 21 21 A I H X S+ 0 0 48 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.920 111.5 50.0 -60.4 -44.4 7.7 26.8 31.8 22 22 A A H < S+ 0 0 57 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.903 113.3 46.2 -59.9 -42.7 7.6 27.3 35.6 23 23 A G H >< S+ 0 0 22 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.888 109.3 53.7 -67.3 -41.0 11.2 28.5 35.6 24 24 A F H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 0.769 94.7 72.7 -64.1 -25.5 10.6 30.8 32.6 25 25 A G T 3< S+ 0 0 59 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 89.2 59.6 -58.0 -24.7 7.7 32.3 34.7 26 26 A E T < S+ 0 0 161 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.2 0.269 111.3 45.0 -88.2 11.0 10.3 33.9 36.9 27 27 A Y S < S- 0 0 116 -3,-1.8 2,-0.4 2,-0.2 65,-0.0 -0.675 99.9 -79.2-138.4-169.3 11.7 35.8 33.8 28 28 A D S S+ 0 0 146 63,-0.2 2,-0.2 -2,-0.2 -26,-0.1 -0.914 79.2 120.3-131.6 106.2 10.6 37.8 30.7 29 29 A M - 0 0 23 -2,-0.4 2,-0.4 -5,-0.1 -27,-0.2 -0.818 47.5-156.5 128.5 70.9 9.7 35.3 28.7 30 30 A E E -a 2 0A 102 -29,-1.3 -27,-2.4 -2,-0.2 2,-0.5 -0.941 19.9-126.2-114.8 129.0 6.2 34.8 27.2 31 31 A Y E +a 3 0A 77 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.648 43.3 155.3 -74.8 121.4 4.8 31.4 26.1 32 32 A D + 0 0 26 -29,-3.0 -2,-0.1 -2,-0.5 5,-0.1 -0.848 21.7 176.9-151.8 107.0 3.6 31.8 22.5 33 33 A D S S+ 0 0 78 -2,-0.3 -29,-0.1 2,-0.1 -1,-0.1 0.371 81.8 59.8 -95.3 3.9 3.3 28.9 20.1 34 34 A V S S+ 0 0 100 1,-0.1 -1,-0.1 0, 0.0 -30,-0.1 0.881 125.9 9.8 -89.0 -53.5 1.9 30.9 17.3 35 35 A E S S+ 0 0 108 -32,-0.1 -2,-0.1 26,-0.0 -33,-0.1 -0.487 84.2 167.1-125.4 62.2 4.8 33.4 16.9 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.435 28.5-162.3 -71.8 148.2 7.7 32.1 19.0 37 37 A E S S+ 0 0 83 -35,-2.5 26,-2.0 1,-0.3 2,-0.4 0.641 86.0 40.8 -94.6 -25.5 11.2 33.5 18.6 38 38 A I E -bc 3 63A 0 -36,-1.4 -34,-1.8 24,-0.2 2,-0.5 -0.992 68.7-165.4-124.9 128.5 12.6 30.4 20.4 39 39 A V E -bc 4 64A 1 24,-1.8 26,-2.6 -2,-0.4 2,-0.5 -0.966 7.1-164.4-114.3 118.4 11.4 26.8 19.8 40 40 A I E -bc 5 65A 0 -36,-2.6 -34,-2.8 -2,-0.5 2,-0.5 -0.906 2.6-161.1-104.2 123.9 12.5 24.2 22.4 41 41 A S E -bc 6 66A 2 24,-2.8 26,-3.2 -2,-0.5 2,-0.5 -0.895 5.6-171.3-105.0 128.9 12.2 20.6 21.6 42 42 A I E +bc 7 67A 0 -36,-2.4 -34,-2.1 -2,-0.5 2,-0.3 -0.941 54.4 41.5-120.2 109.5 12.3 17.9 24.3 43 43 A G E S- c 0 68A 1 24,-2.2 26,-2.0 -2,-0.5 27,-0.8 -0.963 92.6 -30.2 161.7-144.4 12.4 14.3 23.0 44 44 A G S > S- 0 0 15 -2,-0.3 4,-1.6 24,-0.2 5,-0.1 -0.145 72.0 -82.9 -91.4-168.9 14.3 12.3 20.4 45 45 A N H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.826 131.2 57.4 -66.1 -29.6 15.6 13.3 16.9 46 46 A G H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 102.4 53.4 -65.5 -39.7 12.0 12.7 15.7 47 47 A T H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.908 109.8 48.3 -61.3 -42.7 10.6 15.3 18.2 48 48 A F H X S+ 0 0 4 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.920 109.5 51.7 -65.1 -44.0 13.1 17.8 16.9 49 49 A L H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.899 109.6 50.6 -58.3 -42.5 12.2 17.1 13.2 50 50 A S H X S+ 0 0 76 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.875 109.2 51.4 -61.3 -40.7 8.5 17.6 14.1 51 51 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.929 110.0 49.4 -61.2 -47.9 9.4 20.9 15.8 52 52 A F H < S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.909 114.2 44.4 -55.3 -48.5 11.3 22.1 12.7 53 53 A H H >< S+ 0 0 53 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.743 104.8 62.3 -75.7 -24.4 8.4 21.2 10.3 54 54 A Q H 3< S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.838 118.1 29.7 -63.1 -32.6 5.8 22.7 12.6 55 55 A Y T >< S+ 0 0 12 -4,-1.1 3,-1.8 -3,-0.4 -1,-0.2 0.018 77.6 123.0-119.1 26.8 7.5 26.1 12.1 56 56 A E T < S+ 0 0 36 -3,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.628 71.8 61.6 -72.0 -10.5 9.0 25.8 8.6 57 57 A E T 3 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.537 111.0 38.7 -87.2 -9.1 7.1 28.9 7.4 58 58 A R S X> S+ 0 0 45 -3,-1.8 3,-1.5 1,-0.1 4,-0.6 -0.097 70.4 129.9-130.1 39.9 8.9 31.1 10.0 59 59 A L T 34 S+ 0 0 7 -3,-0.5 3,-0.5 1,-0.3 184,-0.3 0.767 71.0 60.5 -63.9 -26.6 12.4 29.8 10.0 60 60 A D T 34 S+ 0 0 131 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.648 108.9 42.8 -75.8 -14.7 13.8 33.3 9.6 61 61 A E T <4 S+ 0 0 113 -3,-1.5 2,-0.4 -25,-0.1 -1,-0.2 0.447 104.6 77.4-108.1 -3.7 12.3 34.4 12.9 62 62 A I < - 0 0 5 -4,-0.6 2,-0.5 -3,-0.5 181,-0.4 -0.862 52.9-162.5-118.9 140.7 13.1 31.3 15.0 63 63 A A E -c 38 0A 3 -26,-2.0 -24,-1.8 -2,-0.4 181,-0.3 -0.996 25.7-142.4-115.0 126.7 16.1 29.9 16.8 64 64 A F E -cd 39 244A 1 179,-3.0 181,-2.0 -2,-0.5 2,-0.4 -0.635 17.5-175.0 -92.8 145.2 15.8 26.2 17.7 65 65 A I E -c 40 0A 2 -26,-2.6 -24,-2.8 -2,-0.3 2,-0.4 -0.994 8.9-157.1-137.2 134.4 17.1 24.5 20.8 66 66 A G E -c 41 0A 2 9,-0.5 12,-2.2 -2,-0.4 11,-0.7 -0.911 14.2-170.0-116.6 139.1 16.9 20.7 21.6 67 67 A I E -ce 42 78A 3 -26,-3.2 -24,-2.2 -2,-0.4 2,-0.6 -0.998 24.3-145.8-114.3 123.1 17.0 18.6 24.7 68 68 A H E +c 43 0A 37 10,-2.5 -24,-0.2 -2,-0.5 5,-0.1 -0.814 25.7 177.4-100.6 122.7 17.4 14.9 23.9 69 69 A T S S+ 0 0 18 -26,-2.0 -25,-0.2 -2,-0.6 -1,-0.1 0.642 72.2 69.7 -87.1 -21.6 15.7 12.3 26.0 70 70 A G S S- 0 0 39 -27,-0.8 3,-0.1 2,-0.2 -2,-0.1 0.192 102.0 -90.5 -77.5-155.4 17.1 9.6 23.7 71 71 A H S S+ 0 0 181 1,-0.2 2,-0.2 188,-0.0 -27,-0.0 0.787 101.3 46.8 -68.1 -37.8 20.8 8.6 23.3 72 72 A L - 0 0 73 187,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.909 56.4-165.8 159.3 80.1 21.7 10.6 20.9 73 73 A G + 0 0 10 -2,-0.2 -5,-0.1 1,-0.1 186,-0.1 -0.838 21.9 154.9-126.1 92.0 21.5 14.4 20.0 74 74 A F S S+ 0 0 39 -2,-0.5 -1,-0.1 1,-0.1 181,-0.1 0.730 97.7 19.4 -86.0 -25.4 22.3 15.5 16.5 75 75 A Y S S+ 0 0 7 -3,-0.2 2,-0.5 -10,-0.0 -9,-0.5 0.596 112.4 89.6-115.0 -21.0 20.1 18.5 16.9 76 76 A A + 0 0 9 1,-0.1 -9,-0.2 -11,-0.1 -3,-0.1 -0.725 42.6 178.0 -65.4 123.9 20.0 18.5 20.8 77 77 A D + 0 0 32 -11,-0.7 2,-0.3 -2,-0.5 -10,-0.2 0.407 62.3 70.5 -53.1 -22.1 22.6 20.4 22.5 78 78 A W B -e 67 0A 21 -12,-2.2 -10,-2.5 2,-0.0 -2,-0.0 -0.820 60.4-147.7-124.5 149.8 21.1 19.6 26.0 79 79 A R > - 0 0 136 -2,-0.3 3,-2.1 -12,-0.2 4,-0.2 -0.775 37.3-110.9 -98.1 150.6 20.5 16.7 28.5 80 80 A P G > S+ 0 0 37 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.824 117.5 57.0 -47.2 -39.8 17.4 16.6 30.7 81 81 A A G 3 S+ 0 0 79 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.662 101.0 57.9 -69.1 -17.8 19.6 17.3 33.8 82 82 A E G X> S+ 0 0 75 -3,-2.1 4,-1.9 1,-0.2 3,-0.5 0.371 74.1 105.9 -91.2 2.2 20.9 20.6 32.3 83 83 A A H <> S+ 0 0 3 -3,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.810 75.1 52.7 -57.3 -38.1 17.4 22.1 31.9 84 84 A D H 3> S+ 0 0 124 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.876 108.8 50.0 -67.1 -39.0 17.7 24.6 34.7 85 85 A K H <> S+ 0 0 52 -3,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.892 110.6 50.6 -64.1 -42.2 21.0 26.0 33.4 86 86 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.881 105.9 55.6 -61.8 -42.3 19.4 26.4 29.9 87 87 A V H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.946 111.5 43.7 -55.4 -49.9 16.4 28.2 31.4 88 88 A K H X S+ 0 0 41 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.879 115.6 47.7 -64.1 -41.5 18.7 30.8 33.0 89 89 A L H X>S+ 0 0 40 -4,-2.2 5,-2.0 2,-0.2 4,-0.8 0.918 113.1 47.3 -67.6 -45.0 20.9 31.2 29.9 90 90 A L H ><5S+ 0 0 1 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.916 110.7 52.0 -60.7 -48.1 17.9 31.5 27.5 91 91 A A H 3<5S+ 0 0 24 -4,-2.3 -1,-0.2 -5,-0.3 -63,-0.2 0.807 108.6 52.0 -59.3 -32.9 16.2 34.1 29.8 92 92 A K H 3<5S- 0 0 70 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.661 108.1-123.2 -79.5 -17.8 19.5 36.2 29.8 93 93 A G T <<5 + 0 0 45 -3,-0.9 2,-1.6 -4,-0.8 -3,-0.2 0.753 56.3 156.1 77.9 28.1 19.8 36.3 26.0 94 94 A E < + 0 0 119 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.1 -0.368 33.3 101.8 -88.4 55.9 23.2 34.7 26.4 95 95 A Y - 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