==== 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 15-AUG-06 2I1W . 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 . 1036 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 732 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 274 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 96 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 4 0 0 1 0 6 5 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 7 0 0 8 0 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 4 5 22 1 4 0 0 0 0 3 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 0 4 0 0 0 4 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 79 0, 0.0 29,-1.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 136.6 2.5 -33.4 -15.1 2 2 A K E +a 30 0A 61 27,-0.2 35,-1.8 33,-0.1 36,-0.9 -0.522 360.0 169.0 -60.3 141.4 -0.3 -33.1 -17.6 3 3 A Y E -ab 31 38A 4 27,-2.4 29,-3.2 33,-0.2 2,-0.3 -0.969 24.8-160.0-153.1 164.7 1.1 -33.7 -21.1 4 4 A M E - b 0 39A 11 34,-2.0 36,-2.4 -2,-0.3 2,-0.4 -0.980 10.4-143.9-145.2 157.5 0.2 -34.3 -24.8 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.5 34,-0.2 36,-0.2 -0.984 7.6-167.5-123.1 132.6 2.0 -35.7 -27.8 6 6 A T E - b 0 41A 41 34,-3.2 36,-3.6 -2,-0.4 2,-0.3 -0.985 6.4-177.3-113.0 128.1 1.8 -34.6 -31.5 7 7 A S E - b 0 42A 23 -2,-0.5 36,-0.2 34,-0.2 7,-0.1 -0.800 38.1-116.1-109.0 159.8 3.2 -36.7 -34.3 8 8 A K - 0 0 133 34,-1.3 35,-0.1 -2,-0.3 -1,-0.0 0.643 56.7-105.0 -71.4 -14.8 3.2 -35.7 -38.0 9 9 A G S S+ 0 0 45 1,-0.4 2,-0.1 2,-0.1 -1,-0.1 0.320 78.6 125.6 111.4 -8.8 0.9 -38.7 -38.8 10 10 A D S > S- 0 0 70 1,-0.1 4,-1.8 4,-0.0 -1,-0.4 -0.422 73.3-107.0 -72.1 159.7 3.2 -41.2 -40.5 11 11 A E H > S+ 0 0 151 1,-0.2 4,-3.6 2,-0.2 3,-0.4 0.930 114.4 55.1 -59.0 -45.8 3.2 -44.7 -38.9 12 12 A K H > S+ 0 0 108 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.885 114.8 39.6 -57.6 -47.4 6.7 -44.5 -37.3 13 13 A S H > S+ 0 0 5 2,-0.2 4,-1.5 -3,-0.2 -1,-0.3 0.738 113.8 55.5 -70.4 -30.4 5.8 -41.3 -35.4 14 14 A D H X S+ 0 0 66 -4,-1.8 4,-1.6 -3,-0.4 -2,-0.2 0.930 111.3 43.4 -69.9 -49.2 2.3 -42.5 -34.6 15 15 A L H X S+ 0 0 95 -4,-3.6 4,-1.9 2,-0.2 -2,-0.2 0.800 108.8 55.4 -72.6 -25.7 3.5 -45.6 -33.0 16 16 A L H X S+ 0 0 28 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.919 109.1 51.7 -61.0 -42.5 6.3 -44.0 -31.0 17 17 A R H X S+ 0 0 71 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.892 109.1 48.0 -58.0 -47.1 3.6 -41.6 -29.6 18 18 A L H X S+ 0 0 101 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.887 113.0 48.1 -62.6 -40.8 1.4 -44.5 -28.5 19 19 A N H X S+ 0 0 113 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.769 111.5 50.6 -77.7 -25.0 4.3 -46.3 -26.9 20 20 A M H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.936 108.0 53.1 -72.4 -41.8 5.3 -43.1 -25.1 21 21 A I H X S+ 0 0 46 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.904 111.8 45.1 -55.1 -48.0 1.7 -42.7 -23.8 22 22 A A H >X S+ 0 0 59 -4,-2.0 4,-0.7 2,-0.2 3,-0.6 0.915 110.4 53.9 -63.5 -44.1 1.8 -46.2 -22.4 23 23 A G H >< S+ 0 0 13 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.921 108.7 50.0 -58.0 -40.2 5.2 -45.7 -20.8 24 24 A F H >< S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 5,-0.3 0.702 95.0 72.5 -69.1 -23.3 3.9 -42.5 -19.1 25 25 A G H << S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.756 88.0 63.8 -61.5 -23.6 0.9 -44.5 -17.8 26 26 A E T << S+ 0 0 152 -3,-1.0 -1,-0.3 -4,-0.7 2,-0.2 0.584 106.8 48.7 -77.9 -11.7 3.3 -46.2 -15.3 27 27 A Y S < S- 0 0 93 -3,-1.5 2,-1.6 2,-0.1 65,-0.0 -0.533 105.5 -80.0-114.0-179.0 4.0 -42.8 -13.6 28 28 A D S S+ 0 0 155 -2,-0.2 2,-0.3 63,-0.2 -3,-0.1 -0.689 85.1 118.1 -83.1 79.8 2.1 -39.8 -12.2 29 29 A M - 0 0 21 -2,-1.6 2,-0.4 -5,-0.3 -27,-0.2 -0.954 47.7-153.9-150.0 136.1 1.5 -38.2 -15.6 30 30 A E E -a 2 0A 113 -29,-1.1 -27,-2.4 -2,-0.3 2,-0.4 -0.927 18.3-125.9-119.9 127.8 -1.9 -37.5 -17.3 31 31 A Y E +a 3 0A 73 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.579 44.0 155.4 -72.3 121.0 -2.7 -37.1 -21.0 32 32 A D + 0 0 25 -29,-3.2 -2,-0.1 -2,-0.4 5,-0.1 -0.787 23.2 178.2-155.0 104.6 -4.4 -33.8 -21.5 33 33 A D S S+ 0 0 85 -2,-0.3 -29,-0.1 1,-0.2 -1,-0.1 0.379 81.5 59.1 -92.7 3.1 -4.4 -31.9 -24.8 34 34 A V S S+ 0 0 114 1,-0.1 -1,-0.2 21,-0.0 -30,-0.1 0.837 126.3 9.1 -92.7 -47.6 -6.5 -29.0 -23.6 35 35 A E S S+ 0 0 92 -32,-0.1 -33,-0.1 26,-0.0 -2,-0.1 -0.502 84.8 166.9-131.0 65.3 -4.3 -27.8 -20.7 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.464 30.2-159.2 -75.4 152.1 -1.0 -29.7 -21.0 37 37 A E S S+ 0 0 68 -35,-1.8 26,-2.4 1,-0.3 2,-0.4 0.598 85.8 40.5 -93.9 -24.2 2.2 -28.7 -19.1 38 38 A I E -bc 3 63A 0 -36,-0.9 -34,-2.0 24,-0.2 2,-0.5 -0.998 67.3-164.5-127.9 124.3 4.5 -30.6 -21.5 39 39 A V E -bc 4 64A 0 24,-2.0 26,-2.4 -2,-0.4 2,-0.5 -0.977 8.9-164.7-106.5 122.2 4.0 -30.6 -25.3 40 40 A I E -bc 5 65A 0 -36,-2.4 -34,-3.2 -2,-0.5 2,-0.5 -0.933 1.5-161.4-105.5 125.7 6.0 -33.4 -27.1 41 41 A S E -bc 6 66A 1 24,-3.2 26,-3.5 -2,-0.5 2,-0.5 -0.918 5.7-171.6-109.8 123.1 6.4 -33.1 -30.9 42 42 A I E +bc 7 67A 3 -36,-3.6 -34,-1.3 -2,-0.5 26,-0.2 -0.969 61.5 29.4-116.7 115.0 7.4 -36.2 -32.8 43 43 A G S S- 0 0 8 24,-2.2 2,-0.2 -2,-0.5 25,-0.2 0.263 105.8 -42.2 134.6 -11.6 8.3 -35.9 -36.5 44 44 A G >> - 0 0 10 23,-0.6 4,-1.7 1,-0.1 3,-0.6 -0.681 64.2 -70.3 142.9 164.4 9.9 -32.6 -37.5 45 45 A D H 3> S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.662 122.5 61.3 -58.8 -26.8 10.0 -28.8 -37.2 46 46 A G H 3> S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 109.3 42.0 -64.3 -43.0 6.7 -28.6 -39.3 47 47 A T H <> S+ 0 0 21 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.841 113.9 51.7 -70.8 -35.1 5.0 -30.5 -36.5 48 48 A F H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.900 108.6 51.9 -72.6 -39.3 6.7 -28.5 -33.8 49 49 A L H X S+ 0 0 32 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.906 109.5 48.5 -59.4 -47.1 5.6 -25.3 -35.4 50 50 A S H X S+ 0 0 85 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.849 111.3 50.9 -62.2 -38.2 1.9 -26.4 -35.6 51 51 A A H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.947 109.8 49.7 -62.7 -51.7 2.1 -27.4 -31.9 52 52 A F H < S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.909 113.6 46.3 -51.1 -49.0 3.6 -24.0 -31.0 53 53 A H H < S+ 0 0 58 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.772 109.3 55.1 -70.7 -24.0 0.8 -22.3 -32.9 54 54 A Q H < S+ 0 0 147 -4,-1.5 3,-0.3 -3,-0.2 -2,-0.2 0.935 117.0 35.5 -69.3 -42.2 -1.9 -24.6 -31.3 55 55 A Y S >< S+ 0 0 23 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.064 75.0 122.1-105.1 27.0 -0.8 -23.6 -27.7 56 56 A E G > S+ 0 0 46 -3,-0.5 3,-0.6 1,-0.3 -1,-0.2 0.698 70.6 60.6 -70.0 -15.2 0.2 -20.0 -28.0 57 57 A E G 3 S+ 0 0 150 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.644 112.1 39.8 -81.5 -11.4 -2.3 -18.8 -25.4 58 58 A R G X> S+ 0 0 59 -3,-1.8 3,-1.6 1,-0.1 4,-0.9 -0.001 70.8 119.9-123.9 29.8 -0.6 -21.1 -22.7 59 59 A L T <4 S+ 0 0 3 -3,-0.6 181,-0.2 1,-0.3 3,-0.2 0.785 74.7 65.7 -63.0 -31.9 3.1 -20.5 -23.7 60 60 A D T 34 S+ 0 0 129 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.796 111.3 30.7 -36.2 -47.3 3.3 -19.2 -20.1 61 61 A E T <4 S+ 0 0 111 -3,-1.6 2,-0.4 -25,-0.1 -2,-0.2 0.421 104.5 85.2-114.4 -1.9 2.5 -22.7 -18.7 62 62 A I < - 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