==== 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 2I2B . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1 . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR G.PONCET-MONTANGE,G.LABESSE . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 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 . 4 1.6 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 . 27 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 . 1 2 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 2 3 3 0 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 66 0, 0.0 29,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.7 10.5 36.4 24.0 2 2 A K E +a 30 0A 71 27,-0.2 35,-3.0 33,-0.2 36,-1.1 -0.553 360.0 167.6 -73.1 133.8 7.9 34.0 22.7 3 3 A Y E -ab 31 38A 6 27,-2.0 29,-2.5 -2,-0.3 2,-0.3 -0.958 19.0-164.2-140.8 159.4 9.1 30.4 23.0 4 4 A M E - b 0 39A 8 34,-2.3 36,-2.7 -2,-0.3 2,-0.4 -0.961 8.4-148.2-140.2 163.7 7.7 26.9 22.7 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.984 6.1-162.7-134.4 120.0 8.8 23.4 23.8 6 6 A T E - b 0 41A 15 34,-2.7 36,-2.3 -2,-0.4 2,-0.4 -0.768 11.9-156.9 -95.5 148.5 8.1 20.1 22.0 7 7 A S E - b 0 42A 30 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.974 27.2-132.3-126.8 143.3 8.5 16.8 23.9 8 8 A K - 0 0 120 34,-2.5 35,-0.1 -2,-0.4 -1,-0.1 0.710 54.7-119.8 -60.4 -21.8 9.1 13.3 22.6 9 9 A G + 0 0 46 1,-0.3 2,-0.1 33,-0.3 -1,-0.1 0.572 69.9 124.5 94.5 10.3 6.3 12.4 25.1 10 10 A D S > S- 0 0 55 1,-0.1 4,-2.4 0, 0.0 -1,-0.3 -0.468 77.3 -99.0 -86.0 171.8 7.9 10.0 27.5 11 11 A E H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.940 122.4 50.9 -56.6 -51.3 7.9 10.7 31.3 12 12 A K H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 114.0 42.7 -48.1 -55.7 11.5 12.1 31.2 13 13 A S H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 114.6 49.4 -66.0 -43.7 10.9 14.5 28.4 14 14 A D H X S+ 0 0 71 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.909 111.2 48.8 -61.2 -46.1 7.5 15.7 29.6 15 15 A L H X S+ 0 0 54 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.895 112.6 48.3 -63.2 -40.9 8.7 16.4 33.2 16 16 A L H X S+ 0 0 30 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.878 109.3 53.5 -68.0 -38.0 11.7 18.3 31.8 17 17 A R H X S+ 0 0 66 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.942 110.4 47.2 -57.3 -49.4 9.4 20.3 29.6 18 18 A L H X S+ 0 0 108 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.894 111.7 50.4 -62.2 -42.3 7.3 21.3 32.6 19 19 A N H X S+ 0 0 116 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.860 111.6 48.1 -60.7 -38.9 10.4 22.2 34.6 20 20 A M H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.912 110.3 50.7 -70.0 -43.5 11.6 24.4 31.8 21 21 A I H X S+ 0 0 43 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.929 112.8 47.4 -55.9 -47.8 8.2 26.1 31.4 22 22 A A H < S+ 0 0 61 -4,-2.5 4,-0.5 1,-0.2 3,-0.2 0.909 112.5 49.4 -58.7 -45.7 8.3 26.8 35.2 23 23 A G H >< S+ 0 0 11 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.850 108.9 51.9 -62.2 -37.7 11.8 28.0 34.9 24 24 A F H ><>S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 5,-0.9 0.752 98.0 68.2 -69.4 -26.0 10.9 30.3 32.0 25 25 A G T 3<5S+ 0 0 59 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.698 89.2 63.8 -64.9 -22.2 8.0 31.7 34.2 26 26 A E T < 5S+ 0 0 147 -3,-0.8 -1,-0.3 -4,-0.5 2,-0.2 0.476 107.6 47.0 -80.1 -5.6 10.6 33.3 36.4 27 27 A Y T < 5S- 0 0 110 -3,-1.5 2,-0.9 2,-0.2 65,-0.0 -0.575 107.7 -82.6-121.6-173.5 11.8 35.5 33.5 28 28 A D T 5S+ 0 0 69 -2,-0.2 2,-0.4 63,-0.2 -3,-0.1 -0.293 82.8 127.3 -89.4 50.4 10.0 37.7 30.9 29 29 A M < - 0 0 19 -2,-0.9 2,-0.4 -5,-0.9 -27,-0.2 -0.921 43.0-158.6-112.5 130.7 9.3 34.7 28.6 30 30 A E E -a 2 0A 111 -29,-1.2 -27,-2.0 -2,-0.4 2,-0.8 -0.920 20.7-123.2-112.1 132.1 5.9 33.8 27.2 31 31 A Y E +a 3 0A 83 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.614 41.7 161.9 -72.2 109.1 4.8 30.4 26.0 32 32 A D + 0 0 40 -29,-2.5 5,-0.1 -2,-0.8 -2,-0.1 -0.936 19.1 176.3-131.8 111.1 3.6 30.8 22.4 33 33 A D S S+ 0 0 90 -2,-0.4 -29,-0.1 2,-0.1 -1,-0.1 0.339 81.3 57.5 -92.1 4.2 3.3 27.7 20.2 34 34 A V S S+ 0 0 110 1,-0.1 -1,-0.1 21,-0.0 -30,-0.1 0.845 125.9 8.4 -96.3 -52.1 1.8 29.7 17.3 35 35 A E S S+ 0 0 27 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.435 83.1 167.2-129.1 61.4 4.5 32.4 16.7 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.305 30.1-159.3 -71.8 156.6 7.6 31.4 18.9 37 37 A E S S+ 0 0 82 -35,-3.0 26,-2.3 1,-0.3 2,-0.4 0.527 86.6 41.8-102.6 -18.1 11.0 33.0 18.5 38 38 A I E -bc 3 63A 0 -36,-1.1 -34,-2.3 24,-0.2 2,-0.6 -0.996 68.1-165.4-134.3 124.9 12.6 30.1 20.2 39 39 A V E -bc 4 64A 0 24,-2.0 26,-2.4 -2,-0.4 2,-0.5 -0.952 6.8-168.5-115.9 115.8 11.7 26.4 19.6 40 40 A I E -bc 5 65A 0 -36,-2.7 -34,-2.7 -2,-0.6 2,-0.5 -0.908 2.8-163.3-106.4 128.9 13.1 23.9 22.2 41 41 A S E -bc 6 66A 0 24,-2.8 26,-3.0 -2,-0.5 2,-0.6 -0.948 0.2-162.6-115.9 129.8 12.8 20.3 21.4 42 42 A I E +bc 7 67A 0 -36,-2.3 -34,-2.5 -2,-0.5 -33,-0.3 -0.928 59.6 35.2-119.8 111.8 13.2 17.7 24.1 43 43 A G E S- c 0 68A 4 24,-3.0 26,-1.6 -2,-0.6 27,-0.9 -0.756 98.8 -36.2 158.1-107.0 13.9 14.1 23.1 44 44 A G > - 0 0 24 -2,-0.2 4,-1.9 24,-0.2 5,-0.1 -0.689 68.8 -76.0-134.3-170.5 16.1 13.0 20.2 45 45 A D H > S+ 0 0 45 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.852 127.7 58.5 -60.0 -35.2 17.0 13.9 16.6 46 46 A G H > S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.901 105.9 47.6 -60.2 -44.3 13.6 12.5 15.5 47 47 A T H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.883 110.0 52.8 -63.0 -43.2 11.7 14.9 17.9 48 48 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.901 105.1 55.3 -59.0 -42.2 13.8 17.8 16.6 49 49 A L H X S+ 0 0 14 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.885 107.8 49.2 -58.6 -42.5 12.9 16.9 13.0 50 50 A S H X S+ 0 0 45 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.916 110.2 51.5 -59.2 -46.2 9.2 17.1 14.0 51 51 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.885 108.7 50.9 -59.5 -43.7 9.9 20.5 15.5 52 52 A F H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 114.4 42.9 -59.6 -46.4 11.6 21.8 12.4 53 53 A H H >< S+ 0 0 27 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.758 107.4 60.4 -76.3 -28.0 8.7 20.7 10.2 54 54 A Q H 3< S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.870 120.4 27.6 -58.1 -36.3 6.1 22.0 12.6 55 55 A Y T >< S+ 0 0 21 -4,-1.3 3,-1.3 -3,-0.2 -2,-0.2 0.028 79.2 119.1-122.3 26.5 7.7 25.5 12.2 56 56 A E G X S+ 0 0 62 -3,-0.6 3,-0.7 1,-0.3 -1,-0.1 0.643 70.0 65.7 -72.8 -15.1 9.2 25.5 8.7 57 57 A E G 3 S+ 0 0 193 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.662 109.5 38.8 -78.0 -16.0 6.9 28.4 7.5 58 58 A R G X> S+ 0 0 65 -3,-1.3 3,-1.3 1,-0.1 4,-0.5 -0.075 73.4 130.7-123.7 35.6 8.7 30.7 10.0 59 59 A L G X4 S+ 0 0 7 -3,-0.7 3,-0.6 1,-0.3 182,-0.4 0.775 71.1 56.3 -60.7 -33.1 12.3 29.6 9.8 60 60 A D G 34 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.694 110.5 46.3 -72.2 -19.0 13.8 33.1 9.4 61 61 A E G <4 S+ 0 0 108 -3,-1.3 2,-0.4 -25,-0.1 -1,-0.2 0.475 102.9 77.6-100.0 -5.5 12.1 34.1 12.7 62 62 A I << - 0 0 4 -3,-0.6 179,-0.5 -4,-0.5 2,-0.5 -0.870 54.1-159.3-120.7 138.0 13.1 31.2 14.8 63 63 A A E -cd 38 241A 4 -26,-2.3 -24,-2.0 -2,-0.4 2,-0.3 -0.975 25.2-146.1-108.8 127.4 16.2 29.9 16.7 64 64 A F E -cd 39 242A 0 177,-2.9 179,-2.2 -2,-0.5 2,-0.4 -0.642 15.1-173.0 -97.0 148.4 16.1 26.2 17.5 65 65 A I E -c 40 0A 4 -26,-2.4 -24,-2.8 -2,-0.3 2,-0.4 -0.998 8.3-155.6-138.6 134.1 17.5 24.3 20.5 66 66 A G E -c 41 0A 0 9,-0.4 12,-1.3 -2,-0.4 11,-1.0 -0.931 6.7-172.3-114.9 131.8 17.7 20.5 21.0 67 67 A I E -ce 42 78A 0 -26,-3.0 -24,-3.0 -2,-0.4 2,-0.6 -0.992 14.6-147.2-120.6 124.1 17.9 18.7 24.3 68 68 A H E -c 43 0A 21 10,-2.0 -24,-0.2 -2,-0.5 4,-0.1 -0.805 17.3-179.1 -92.2 122.4 18.6 14.9 24.3 69 69 A T S S+ 0 0 16 -26,-1.6 -1,-0.1 -2,-0.6 -25,-0.1 0.581 82.0 31.6 -93.7 -11.6 16.9 12.9 27.1 70 70 A G S S- 0 0 55 -27,-0.9 3,-0.1 1,-0.4 -2,-0.1 -0.004 120.7 -21.7-108.2-137.8 18.5 9.8 25.7 71 71 A H S S- 0 0 90 1,-0.2 -1,-0.4 -2,-0.1 -2,-0.1 -0.200 89.2 -66.7 -72.1 165.1 21.9 9.5 24.0 72 72 A L - 0 0 49 184,-0.1 2,-0.3 -3,-0.1 5,-0.2 -0.185 52.4-158.6 -54.5 136.3 23.7 12.4 22.2 73 73 A G - 0 0 4 3,-1.7 -5,-0.1 -3,-0.1 -1,-0.1 -0.799 24.4-129.7-111.3 162.0 22.0 13.8 19.1 74 74 A F S S+ 0 0 19 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.832 116.4 22.5 -76.5 -33.5 23.4 15.8 16.2 75 75 A Y S S+ 0 0 7 1,-0.2 2,-0.5 -10,-0.1 -9,-0.4 0.661 124.7 59.8 -97.4 -22.1 20.6 18.4 16.6 76 76 A A + 0 0 0 1,-0.2 -3,-1.7 -11,-0.1 -9,-0.2 -0.878 62.7 141.8-128.7 99.4 20.0 17.5 20.2 77 77 A D + 0 0 37 -11,-1.0 2,-0.4 -2,-0.5 -10,-0.2 -0.053 32.5 93.7-175.1 -18.7 23.0 18.1 21.6 78 78 A W B -e 67 0A 26 -12,-1.3 -10,-2.0 -3,-0.1 -5,-0.1 -0.892 68.3-123.1-106.9 140.1 22.4 19.7 25.1 79 79 A R > - 0 0 134 -2,-0.4 3,-1.3 -12,-0.2 -10,-0.1 -0.531 16.4-124.6 -79.3 146.0 22.2 17.6 28.3 80 80 A P G > S+ 0 0 32 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.847 111.2 63.2 -54.6 -36.0 19.1 17.7 30.5 81 81 A A G 3 S+ 0 0 73 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.720 101.1 51.6 -63.9 -22.0 21.3 18.7 33.4 82 82 A E G <> S+ 0 0 79 -3,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.296 81.8 97.0 -96.3 8.2 22.2 21.9 31.6 83 83 A A H <> S+ 0 0 4 -3,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.858 80.5 52.6 -68.1 -38.0 18.5 22.9 31.0 84 84 A D H > S+ 0 0 82 -4,-0.3 4,-1.4 -3,-0.3 -1,-0.2 0.900 108.8 52.1 -61.7 -40.7 18.4 25.2 34.0 85 85 A K H > S+ 0 0 47 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.848 107.8 50.8 -64.4 -37.1 21.5 27.0 32.6 86 86 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.826 101.4 61.9 -72.9 -32.1 19.9 27.5 29.1 87 87 A V H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.971 109.1 42.6 -52.4 -54.6 16.7 29.0 30.7 88 88 A K H X S+ 0 0 36 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.945 115.6 46.8 -58.4 -55.2 18.8 31.8 32.1 89 89 A L H X>S+ 0 0 61 -4,-1.9 5,-2.3 1,-0.2 4,-1.3 0.905 114.3 48.1 -55.9 -47.6 21.0 32.4 29.0 90 90 A L H <5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.878 114.4 45.5 -57.7 -44.8 18.0 32.4 26.7 91 91 A A H <5S+ 0 0 33 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.752 116.5 45.6 -73.1 -27.6 16.0 34.8 28.9 92 92 A K H <5S- 0 0 86 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.604 109.3-125.5 -88.9 -15.8 19.1 37.1 29.2 93 93 A G T <5 + 0 0 43 -4,-1.3 2,-1.2 -5,-0.2 -3,-0.2 0.790 56.7 149.7 76.6 31.3 19.8 36.9 25.5 94 94 A E < + 0 0 56 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.1 -0.538 40.6 93.3 -96.9 67.5 23.4 35.7 25.9 95 95 A Y - 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