==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-DEC-11 3V7W . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1 . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR M.GELIN,G.PONCET-MONTANGE,L.ASSAIRI,L.MORELLATO,V.HUTEAU,L.D . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 26.5 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 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 32 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 15.0 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 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 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 73 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 128.7 11.3 36.1 24.2 2 2 A K + 0 0 75 33,-0.2 35,-2.1 27,-0.1 36,-1.3 -0.393 360.0 175.0 -61.2 140.7 8.3 33.9 23.1 3 3 A Y E -ab 31 38A 5 27,-2.1 29,-2.7 33,-0.2 2,-0.3 -0.974 20.2-163.1-146.1 157.5 9.2 30.2 23.3 4 4 A M E - b 0 39A 8 34,-2.1 36,-2.7 -2,-0.3 2,-0.4 -0.964 11.4-144.6-137.7 158.9 7.5 26.8 22.9 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.970 5.7-159.5-130.0 118.6 8.6 23.3 23.9 6 6 A T E - b 0 41A 22 34,-2.6 36,-2.3 -2,-0.4 2,-0.4 -0.674 15.5-155.0 -86.9 147.7 8.0 20.1 22.0 7 7 A S E - b 0 42A 27 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.981 28.5-132.0-129.2 140.8 8.1 16.8 23.9 8 8 A K - 0 0 93 34,-2.6 35,-0.1 -2,-0.4 -1,-0.1 0.815 53.0-125.3 -50.6 -31.1 8.8 13.3 22.9 9 9 A G + 0 0 45 1,-0.3 2,-0.1 33,-0.2 -1,-0.1 0.479 68.4 120.9 97.4 3.2 5.7 12.7 24.9 10 10 A D S > S- 0 0 56 1,-0.1 4,-2.6 4,-0.0 -1,-0.3 -0.419 80.2 -95.2 -89.4 173.7 7.0 10.1 27.3 11 11 A E H > S+ 0 0 178 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.925 122.6 48.1 -54.3 -51.6 7.0 10.4 31.1 12 12 A K H > S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 115.9 41.8 -54.9 -52.7 10.6 11.7 31.3 13 13 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.898 112.8 51.2 -70.0 -43.0 10.2 14.3 28.5 14 14 A D H X S+ 0 0 69 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.925 112.3 47.3 -59.1 -45.2 6.8 15.7 29.5 15 15 A L H X S+ 0 0 50 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.890 111.2 50.8 -65.0 -40.6 7.9 16.2 33.1 16 16 A L H X S+ 0 0 24 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.907 109.5 52.1 -62.5 -41.3 11.1 17.9 31.9 17 17 A R H X S+ 0 0 64 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.923 109.0 49.5 -59.5 -46.6 9.0 20.2 29.7 18 18 A L H X S+ 0 0 105 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.917 110.7 49.5 -60.7 -45.4 6.8 21.1 32.7 19 19 A N H X S+ 0 0 111 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.862 111.4 49.2 -61.3 -38.0 9.7 22.0 34.9 20 20 A M H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 109.6 51.4 -69.0 -41.9 11.3 24.1 32.2 21 21 A I H X S+ 0 0 45 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.900 110.1 50.2 -59.2 -42.4 8.0 26.0 31.7 22 22 A A H X S+ 0 0 53 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.935 111.0 49.0 -60.0 -45.7 7.9 26.6 35.4 23 23 A G H < S+ 0 0 19 -4,-2.2 3,-0.5 1,-0.2 4,-0.2 0.848 110.1 50.7 -63.1 -35.8 11.4 27.9 35.3 24 24 A F H ><>S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 5,-1.0 0.834 100.4 63.9 -71.0 -33.2 10.6 30.1 32.4 25 25 A G H 3<5S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.766 93.4 62.8 -60.1 -26.0 7.6 31.5 34.3 26 26 A E T 3<5S+ 0 0 160 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.636 106.9 51.7 -75.4 -14.7 10.1 32.9 36.8 27 27 A Y T < 5S- 0 0 99 -3,-1.8 2,-1.1 -4,-0.2 61,-0.0 -0.535 107.9 -90.4-108.6-179.6 11.5 35.1 34.0 28 28 A D T 5S+ 0 0 81 -2,-0.2 2,-0.6 63,-0.1 -3,-0.1 -0.253 80.9 132.9 -86.0 48.3 9.8 37.4 31.6 29 29 A M < - 0 0 22 -2,-1.1 2,-0.4 -5,-1.0 -27,-0.1 -0.902 43.5-154.3-111.5 119.4 9.3 34.6 29.1 30 30 A E - 0 0 104 -2,-0.6 -27,-2.1 -29,-0.1 2,-0.6 -0.743 13.8-132.6 -93.7 131.2 6.0 34.0 27.4 31 31 A Y B +a 3 0A 69 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.727 36.5 161.7 -82.4 119.9 5.0 30.5 26.1 32 32 A D - 0 0 27 -29,-2.7 -2,-0.0 -2,-0.6 5,-0.0 -0.902 23.8-179.3-144.4 111.9 3.6 30.7 22.6 33 33 A D S S+ 0 0 81 -2,-0.3 -29,-0.1 2,-0.1 -1,-0.1 0.246 83.6 59.4 -94.3 12.6 3.4 27.7 20.2 34 34 A V S S+ 0 0 107 21,-0.0 -1,-0.1 1,-0.0 -30,-0.1 0.831 125.8 4.1 -98.2 -58.3 2.0 29.9 17.4 35 35 A E S S+ 0 0 37 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.414 83.7 163.6-128.0 58.2 4.7 32.5 16.9 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.343 32.5-155.4 -73.4 156.8 7.6 31.5 19.1 37 37 A E S S+ 0 0 90 -35,-2.1 26,-1.9 1,-0.3 2,-0.4 0.593 86.2 41.9-101.1 -20.6 11.2 32.9 18.7 38 38 A I E -bc 3 63A 1 -36,-1.3 -34,-2.1 24,-0.2 2,-0.5 -0.995 67.2-166.6-129.8 128.6 12.7 29.9 20.4 39 39 A V E -bc 4 64A 0 24,-1.9 26,-2.1 -2,-0.4 2,-0.6 -0.954 5.4-163.7-117.8 115.7 11.7 26.3 19.9 40 40 A I E -bc 5 65A 0 -36,-2.7 -34,-2.6 -2,-0.5 2,-0.6 -0.870 3.6-159.4-101.5 121.7 13.0 23.7 22.4 41 41 A S E -bc 6 66A 2 24,-2.7 26,-3.1 -2,-0.6 2,-0.7 -0.889 2.2-164.7-102.4 120.9 12.7 20.1 21.4 42 42 A I E +bc 7 67A 0 -36,-2.3 -34,-2.6 -2,-0.6 2,-0.3 -0.882 58.8 33.9-109.6 104.4 12.8 17.5 24.2 43 43 A G E S- c 0 68A 2 24,-2.4 26,-1.2 -2,-0.7 27,-1.1 -0.960 95.5 -37.6 158.7-141.6 13.5 14.0 22.9 44 44 A G S > S- 0 0 13 -2,-0.3 4,-2.1 25,-0.2 5,-0.1 -0.216 70.3 -78.0-103.6-163.0 15.5 12.4 20.1 45 45 A D H > S+ 0 0 33 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.841 128.7 58.9 -69.8 -33.1 16.2 13.4 16.5 46 46 A G H > S+ 0 0 45 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 108.3 45.3 -58.3 -45.3 12.8 12.2 15.5 47 47 A T H > S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.913 113.4 50.0 -64.0 -43.3 11.3 14.7 17.9 48 48 A F H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.912 108.4 52.8 -62.0 -43.9 13.6 17.4 16.7 49 49 A L H X S+ 0 0 13 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.903 108.8 50.4 -56.3 -44.4 12.7 16.7 13.1 50 50 A S H X S+ 0 0 50 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.905 108.6 52.1 -61.3 -43.0 9.0 17.1 14.0 51 51 A A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.924 108.6 50.7 -58.8 -47.6 9.7 20.4 15.7 52 52 A F H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.919 112.4 45.6 -56.5 -47.2 11.5 21.7 12.6 53 53 A H H >< S+ 0 0 23 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.751 104.3 62.5 -72.9 -24.0 8.7 20.8 10.3 54 54 A Q H 3< S+ 0 0 108 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.808 118.7 28.0 -67.5 -28.7 6.1 22.2 12.6 55 55 A Y T X< S+ 0 0 11 -4,-1.1 3,-1.7 -3,-0.6 -1,-0.2 -0.046 77.5 124.4-124.3 31.3 7.7 25.6 12.1 56 56 A E T < S+ 0 0 56 -3,-0.8 3,-0.3 1,-0.3 -1,-0.1 0.575 75.0 60.2 -69.5 -5.9 9.2 25.3 8.6 57 57 A E T 3 S+ 0 0 152 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.544 110.8 37.9 -95.1 -10.6 7.2 28.4 7.7 58 58 A R S X S+ 0 0 47 -3,-1.7 3,-1.4 1,-0.1 4,-0.5 -0.059 71.4 129.2-129.0 31.9 8.9 30.6 10.4 59 59 A L T 3 S+ 0 0 7 -3,-0.3 3,-0.5 1,-0.3 182,-0.4 0.751 72.3 58.6 -59.8 -25.1 12.5 29.3 10.1 60 60 A D T 3 S+ 0 0 127 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.721 109.6 41.8 -78.1 -21.6 13.8 32.8 9.8 61 61 A E S < S+ 0 0 106 -3,-1.4 2,-0.4 -25,-0.1 -1,-0.2 0.328 105.7 78.2-106.9 6.1 12.3 33.9 13.1 62 62 A I - 0 0 0 -3,-0.5 179,-0.5 -4,-0.5 2,-0.5 -0.915 52.8-162.8-124.2 141.8 13.2 30.9 15.1 63 63 A A E -c 38 0A 2 -26,-1.9 -24,-1.9 -2,-0.4 2,-0.3 -0.993 23.2-145.2-116.7 129.0 16.2 29.4 16.9 64 64 A F E -cd 39 242A 0 177,-2.8 179,-2.2 -2,-0.5 2,-0.3 -0.647 15.8-175.5 -94.9 147.8 16.1 25.8 17.8 65 65 A I E -c 40 0A 0 -26,-2.1 -24,-2.7 -2,-0.3 2,-0.4 -0.986 11.2-152.4-139.2 132.4 17.6 24.0 20.8 66 66 A G E -c 41 0A 2 9,-0.4 11,-2.3 -2,-0.3 12,-1.2 -0.867 4.0-161.1-108.4 137.6 17.5 20.2 21.4 67 67 A I E -ce 42 78A 1 -26,-3.1 -24,-2.4 -2,-0.4 2,-1.0 -0.969 24.3-127.2-112.8 131.3 17.5 18.4 24.7 68 68 A H E +c 43 0A 50 10,-3.7 -24,-0.2 -2,-0.5 -26,-0.1 -0.661 56.5 133.2 -88.7 99.7 18.6 14.7 24.6 69 69 A T + 0 0 15 -26,-1.2 -25,-0.2 -2,-1.0 -1,-0.2 0.130 62.7 80.8-118.0 12.6 16.1 12.4 26.3 70 70 A G S S- 0 0 18 -27,-1.1 -26,-0.1 -3,-0.1 -2,-0.0 0.079 93.8 -94.8 -94.3-150.6 16.2 10.0 23.3 71 71 A H S S+ 0 0 178 -2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.895 106.8 1.8 -97.4 -64.7 18.8 7.4 22.4 72 72 A L S S- 0 0 95 -3,-0.0 -4,-0.1 0, 0.0 4,-0.0 0.925 74.3-175.4 -88.6 -60.3 21.3 8.9 20.0 73 73 A G > + 0 0 11 2,-0.1 3,-0.5 1,-0.1 -5,-0.1 0.982 7.0 174.7 61.5 66.1 20.1 12.5 19.7 74 74 A F T 3 S+ 0 0 10 1,-0.2 183,-0.1 183,-0.0 -1,-0.1 0.894 78.1 46.9 -69.0 -43.0 22.5 14.0 17.1 75 75 A Y T 3 S+ 0 0 8 -8,-0.1 -9,-0.4 -10,-0.0 -1,-0.2 0.464 92.6 105.0 -79.1 -2.2 20.8 17.4 16.9 76 76 A A < - 0 0 12 -3,-0.5 -9,-0.2 1,-0.1 3,-0.1 -0.553 43.5-178.2 -83.0 144.8 20.6 17.7 20.7 77 77 A D + 0 0 15 -11,-2.3 2,-0.3 -2,-0.2 -10,-0.2 0.450 63.4 55.5-113.7 -7.1 23.0 20.1 22.6 78 78 A W B -e 67 0A 10 -12,-1.2 -10,-3.7 3,-0.0 -1,-0.1 -0.952 64.3-137.6-136.9 148.2 21.9 19.4 26.1 79 79 A R > - 0 0 142 -2,-0.3 3,-2.6 -12,-0.2 4,-0.2 -0.747 36.2-112.6 -96.1 150.6 21.4 16.6 28.6 80 80 A P G > S+ 0 0 30 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.815 115.7 63.6 -51.1 -34.8 18.2 16.6 30.8 81 81 A A G 3 S+ 0 0 82 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.582 100.9 52.6 -69.2 -9.2 20.4 17.2 33.9 82 82 A E G <> S+ 0 0 38 -3,-2.6 4,-2.1 1,-0.1 3,-0.4 0.352 75.0 106.6-105.6 2.7 21.4 20.6 32.4 83 83 A A H <> S+ 0 0 4 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 0.863 77.3 53.1 -51.9 -43.9 17.9 21.8 31.8 84 84 A D H > S+ 0 0 129 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.905 108.9 48.6 -60.3 -44.6 18.0 24.4 34.6 85 85 A K H > S+ 0 0 51 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.865 110.3 53.3 -62.6 -37.1 21.2 25.9 33.4 86 86 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.940 105.9 51.9 -62.8 -50.1 19.7 26.1 29.9 87 87 A V H X S+ 0 0 6 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.918 112.0 48.2 -50.1 -48.2 16.6 28.0 31.2 88 88 A K H X S+ 0 0 132 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.961 113.2 44.4 -59.3 -57.2 18.9 30.5 32.9 89 89 A L H X>S+ 0 0 61 -4,-2.5 5,-1.8 1,-0.3 4,-1.0 0.870 112.1 53.1 -59.2 -40.6 21.2 31.1 29.9 90 90 A L H <5S+ 0 0 1 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.874 110.3 50.2 -60.0 -38.4 18.2 31.4 27.6 91 91 A A H <5S+ 0 0 25 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.982 110.3 45.6 -63.2 -59.8 16.8 34.0 30.0 92 92 A K H <5S- 0 0 87 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.650 109.6-128.4 -60.3 -14.5 19.9 36.1 30.2 93 93 A G T <5 + 0 0 37 -4,-1.0 2,-1.5 -5,-0.3 -3,-0.2 0.764 51.9 156.7 72.4 27.2 20.0 35.8 26.4 94 94 A E < + 0 0 58 -5,-1.8 2,-0.3 2,-0.0 -1,-0.2 -0.619 32.1 102.4 -88.3 81.6 23.6 34.6 26.3 95 95 A Y - 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