==== 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 23-DEC-11 3V8Q . 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 . 257 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 27.2 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 . 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 . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 14.8 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+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 1 0 1 1 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 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 83 0, 0.0 29,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 174.0 10.6 36.6 23.8 2 2 A K + 0 0 59 33,-0.2 35,-2.5 27,-0.2 36,-1.7 -0.626 360.0 175.8 -80.6 143.6 7.9 34.2 22.8 3 3 A Y E -ab 31 38A 4 27,-1.6 29,-2.7 -2,-0.3 2,-0.3 -0.979 18.1-166.0-147.9 157.8 8.8 30.5 23.1 4 4 A M E - b 0 39A 7 34,-2.3 36,-2.6 -2,-0.3 2,-0.4 -0.970 8.6-150.2-142.8 158.0 7.3 27.0 22.7 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.974 5.1-165.6-136.2 120.4 8.4 23.5 23.8 6 6 A T E - b 0 41A 20 34,-2.2 36,-2.3 -2,-0.4 2,-0.4 -0.769 13.4-154.4 -99.6 151.8 7.6 20.2 22.1 7 7 A S E - b 0 42A 29 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.957 28.8-124.0-130.9 145.2 8.1 16.9 23.9 8 8 A K - 0 0 120 34,-2.5 35,-0.1 -2,-0.4 3,-0.1 0.761 55.2-120.4 -54.6 -24.8 8.8 13.3 22.7 9 9 A G S S+ 0 0 48 1,-0.4 2,-0.1 33,-0.2 -1,-0.1 0.373 71.7 123.0 100.8 -3.5 5.7 12.6 24.8 10 10 A D S > S- 0 0 41 1,-0.1 4,-2.6 4,-0.0 -1,-0.4 -0.476 77.8-103.1 -86.3 163.0 7.3 10.1 27.3 11 11 A E H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.901 119.7 53.3 -50.8 -48.2 7.2 10.6 31.1 12 12 A K H > S+ 0 0 115 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 114.5 38.5 -51.6 -55.3 10.8 11.8 31.1 13 13 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 112.4 54.9 -72.2 -39.0 10.4 14.5 28.5 14 14 A D H X S+ 0 0 64 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.871 110.8 46.2 -62.9 -37.6 7.0 15.8 29.5 15 15 A L H X S+ 0 0 92 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.829 110.6 51.9 -76.5 -32.3 8.1 16.4 33.0 16 16 A L H X S+ 0 0 31 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.836 109.6 52.5 -69.5 -31.6 11.3 18.2 31.9 17 17 A R H X S+ 0 0 61 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.927 106.1 50.8 -68.9 -47.1 9.1 20.4 29.7 18 18 A L H X S+ 0 0 98 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.790 110.2 53.0 -61.8 -28.2 6.8 21.4 32.6 19 19 A N H X S+ 0 0 105 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.888 107.8 47.4 -74.7 -41.4 9.9 22.3 34.6 20 20 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.879 111.3 52.5 -68.2 -38.3 11.4 24.6 32.0 21 21 A I H X S+ 0 0 45 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.932 111.2 46.8 -59.4 -46.8 8.1 26.3 31.5 22 22 A A H X S+ 0 0 55 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.916 113.2 48.0 -62.5 -45.0 7.9 26.9 35.2 23 23 A G H >< S+ 0 0 18 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.838 110.7 52.7 -62.5 -33.4 11.5 28.2 35.3 24 24 A F H ><>S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 5,-0.7 0.757 97.1 66.9 -72.1 -25.8 10.6 30.3 32.3 25 25 A G H 3<5S+ 0 0 54 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.746 88.3 66.9 -65.5 -23.1 7.6 31.7 34.3 26 26 A E T <<5S+ 0 0 157 -3,-0.6 -1,-0.3 -4,-0.6 2,-0.2 0.392 106.7 47.3 -79.4 4.0 10.2 33.3 36.6 27 27 A Y T < 5S- 0 0 101 -3,-1.7 2,-1.0 2,-0.1 61,-0.0 -0.708 103.7 -89.5-129.0-177.3 11.1 35.5 33.6 28 28 A D T 5S+ 0 0 156 -2,-0.2 2,-0.6 2,-0.1 -3,-0.1 -0.469 74.2 134.7 -93.9 61.0 9.3 37.6 31.0 29 29 A M < - 0 0 18 -2,-1.0 2,-0.7 -5,-0.7 -27,-0.2 -0.898 44.2-152.4-115.1 102.5 9.0 34.8 28.5 30 30 A E - 0 0 103 -2,-0.6 -27,-1.6 -29,-0.4 2,-0.3 -0.628 15.1-134.0 -77.2 113.2 5.5 34.5 27.0 31 31 A Y B +a 3 0A 76 -2,-0.7 2,-0.3 -29,-0.2 -27,-0.2 -0.522 38.4 161.2 -65.4 125.8 4.8 30.9 25.9 32 32 A D - 0 0 23 -29,-2.7 -2,-0.0 -2,-0.3 -1,-0.0 -0.800 26.8-177.0-154.9 104.3 3.3 31.1 22.4 33 33 A D S S+ 0 0 89 -2,-0.3 -29,-0.1 1,-0.2 -2,-0.1 0.183 83.8 62.7 -89.4 18.0 3.2 28.1 20.1 34 34 A V S S+ 0 0 101 1,-0.0 -1,-0.2 0, 0.0 -30,-0.1 0.812 123.9 4.0-101.6 -56.0 1.7 30.3 17.3 35 35 A E S S+ 0 0 108 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.505 84.3 166.7-130.9 65.3 4.5 32.8 16.7 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.462 29.9-162.3 -79.0 151.1 7.4 31.7 18.9 37 37 A E S S+ 0 0 86 -35,-2.5 26,-2.3 1,-0.2 2,-0.5 0.627 85.3 49.2 -98.6 -24.0 10.9 33.1 18.5 38 38 A I E -bc 3 63A 1 -36,-1.7 -34,-2.3 24,-0.2 2,-0.6 -0.967 67.1-172.7-121.5 118.4 12.4 30.3 20.5 39 39 A V E -bc 4 64A 1 24,-1.5 26,-1.6 -2,-0.5 2,-0.5 -0.941 5.4-168.5-114.7 115.8 11.5 26.7 19.8 40 40 A I E -bc 5 65A 0 -36,-2.6 -34,-2.2 -2,-0.6 2,-0.5 -0.891 3.3-161.2-107.3 128.8 12.8 24.0 22.2 41 41 A S E -bc 6 66A 1 24,-2.3 26,-3.7 -2,-0.5 2,-0.6 -0.932 2.3-166.7-112.0 126.4 12.6 20.3 21.4 42 42 A I E +bc 7 67A 0 -36,-2.3 -34,-2.5 -2,-0.5 2,-0.3 -0.928 60.0 36.0-117.9 110.7 12.9 17.7 24.1 43 43 A G E S- c 0 68A 2 24,-3.0 26,-1.2 -2,-0.6 27,-0.8 -0.811 100.3 -34.9 158.4-113.3 13.4 14.1 23.0 44 44 A G > - 0 0 23 -2,-0.3 4,-2.1 24,-0.2 23,-0.1 -0.610 67.9 -80.4-128.0-169.6 15.6 13.0 20.1 45 45 A D H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.823 129.1 59.6 -64.5 -29.9 16.5 14.1 16.6 46 46 A G H > S+ 0 0 49 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 105.7 46.4 -63.9 -40.7 13.2 12.7 15.5 47 47 A T H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.904 112.7 51.1 -65.7 -41.5 11.4 15.1 17.9 48 48 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 106.2 53.9 -62.9 -44.3 13.6 17.9 16.6 49 49 A L H X S+ 0 0 15 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.919 109.6 48.4 -56.5 -45.3 12.7 17.1 13.0 50 50 A S H X S+ 0 0 47 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.906 109.8 52.2 -60.7 -42.6 9.0 17.3 13.8 51 51 A A H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.879 109.8 50.0 -61.4 -39.2 9.6 20.6 15.6 52 52 A F H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.911 111.9 46.3 -64.3 -45.0 11.4 21.9 12.5 53 53 A H H >< S+ 0 0 26 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.730 103.2 63.2 -74.9 -22.8 8.6 20.9 10.2 54 54 A Q H 3< S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 119.2 26.7 -66.1 -28.3 5.9 22.3 12.5 55 55 A Y T X< S+ 0 0 22 -4,-0.8 3,-1.7 -3,-0.6 -1,-0.2 -0.036 75.3 125.7-127.8 29.9 7.4 25.8 11.9 56 56 A E T < S+ 0 0 48 -3,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.531 71.8 67.9 -68.4 -1.8 9.1 25.5 8.5 57 57 A E T 3 S+ 0 0 158 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.681 107.0 34.1 -89.1 -21.1 7.0 28.6 7.6 58 58 A R S X> S+ 0 0 54 -3,-1.7 3,-1.2 1,-0.1 4,-0.6 -0.267 70.8 136.7-129.3 47.2 8.9 30.9 9.9 59 59 A L G >4 S+ 0 0 8 -3,-0.4 3,-0.6 1,-0.3 181,-0.4 0.830 72.0 55.8 -65.0 -33.5 12.5 29.6 9.9 60 60 A D G 34 S+ 0 0 122 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.521 110.8 45.9 -80.8 -3.6 14.0 33.1 9.7 61 61 A E G <4 S+ 0 0 112 -3,-1.2 2,-0.4 -25,-0.1 -1,-0.2 0.443 103.6 76.1-111.1 -6.2 12.2 34.2 12.8 62 62 A I << - 0 0 4 -3,-0.6 2,-0.5 -4,-0.6 178,-0.5 -0.878 56.0-160.2-115.6 140.1 12.9 31.1 14.9 63 63 A A E -c 38 0A 2 -26,-2.3 -24,-1.5 -2,-0.4 178,-0.3 -0.970 23.1-151.6-113.3 114.4 16.1 29.9 16.8 64 64 A F E +cd 39 241A 1 176,-3.1 178,-2.7 -2,-0.5 2,-0.3 -0.490 17.1 177.6 -85.2 153.3 15.9 26.1 17.5 65 65 A I E -c 40 0A 3 -26,-1.6 -24,-2.3 176,-0.2 2,-0.4 -0.928 13.2-150.7-154.4 133.4 17.5 24.3 20.3 66 66 A G E -c 41 0A 0 9,-0.8 12,-1.6 -2,-0.3 2,-0.4 -0.871 6.8-164.1-115.2 138.9 17.3 20.6 21.1 67 67 A I E -ce 42 78A 0 -26,-3.7 -24,-3.0 -2,-0.4 2,-0.7 -0.971 15.5-144.8-116.6 130.8 17.5 18.6 24.4 68 68 A H E +c 43 0A 16 10,-1.7 -24,-0.2 -2,-0.4 -26,-0.1 -0.851 20.3 177.4-102.7 115.8 18.1 14.8 24.3 69 69 A T S S+ 0 0 16 -26,-1.2 -1,-0.1 -2,-0.7 -25,-0.1 0.679 81.9 30.8 -83.2 -20.3 16.3 12.7 26.9 70 70 A G S S- 0 0 43 -27,-0.8 2,-0.1 1,-0.4 -2,-0.1 0.290 119.7 -14.7-103.9-127.1 17.8 9.6 25.3 71 71 A H S S- 0 0 182 1,-0.1 -1,-0.4 -2,-0.0 -2,-0.1 -0.426 85.7 -77.3 -81.9 156.5 21.1 9.2 23.4 72 72 A L - 0 0 53 -2,-0.1 2,-0.2 183,-0.1 5,-0.2 -0.292 54.5-166.8 -54.0 122.1 23.2 12.1 22.1 73 73 A G - 0 0 6 3,-1.6 -5,-0.1 -3,-0.1 -1,-0.0 -0.563 28.6-122.6-104.4 174.1 21.6 13.5 19.0 74 74 A F S S+ 0 0 17 -2,-0.2 3,-0.2 1,-0.1 -8,-0.1 0.780 113.6 25.3 -88.3 -29.2 23.0 15.9 16.4 75 75 A Y S S+ 0 0 5 1,-0.2 2,-1.4 -10,-0.1 -9,-0.8 0.759 121.4 56.5 -99.0 -37.4 20.3 18.5 16.7 76 76 A A + 0 0 0 1,-0.2 -3,-1.6 -11,-0.1 -1,-0.2 -0.648 69.9 146.2 -90.9 76.6 19.3 17.6 20.3 77 77 A D + 0 0 4 -2,-1.4 2,-0.5 -11,-0.3 -1,-0.2 0.398 36.7 90.4-100.0 1.0 22.9 18.1 21.6 78 78 A W B S-e 67 0A 1 -12,-1.6 -10,-1.7 -3,-0.1 -5,-0.0 -0.872 74.3-122.1-108.0 130.6 22.2 19.5 25.1 79 79 A R > - 0 0 118 -2,-0.5 3,-2.1 -12,-0.2 -10,-0.1 -0.318 19.5-119.6 -70.2 147.6 21.8 17.2 28.1 80 80 A P G > S+ 0 0 47 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.790 111.2 62.4 -54.7 -35.3 18.7 17.1 30.3 81 81 A A G 3 S+ 0 0 87 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.562 94.9 62.9 -72.2 -7.2 20.6 18.2 33.4 82 82 A E G <> S+ 0 0 25 -3,-2.1 4,-1.8 1,-0.2 -1,-0.3 0.321 72.5 103.7 -96.8 7.3 21.5 21.5 31.6 83 83 A A H <> S+ 0 0 5 -3,-1.6 4,-2.3 1,-0.2 3,-0.4 0.928 78.5 48.2 -55.8 -53.3 17.8 22.5 31.4 84 84 A D H > S+ 0 0 110 1,-0.3 4,-0.8 -3,-0.2 -1,-0.2 0.821 111.4 51.8 -59.6 -31.8 17.9 25.1 34.2 85 85 A K H > S+ 0 0 113 -3,-0.2 4,-1.7 -4,-0.2 -1,-0.3 0.816 109.1 52.1 -73.2 -30.5 21.1 26.6 32.6 86 86 A L H X S+ 0 0 3 -4,-1.8 4,-1.9 -3,-0.4 -2,-0.2 0.906 102.8 55.7 -69.2 -44.8 19.2 26.8 29.3 87 87 A V H < S+ 0 0 6 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.774 110.6 48.4 -62.3 -25.5 16.2 28.6 30.7 88 88 A K H >X S+ 0 0 105 -4,-0.8 3,-1.5 -5,-0.2 4,-1.2 0.965 110.7 44.9 -77.5 -57.3 18.6 31.3 32.0 89 89 A L H 3< S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.763 108.6 58.9 -62.6 -27.3 20.8 32.0 29.0 90 90 A L T 3< S+ 0 0 8 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.713 101.1 57.7 -73.3 -20.8 17.7 32.1 26.7 91 91 A A T <4 0 0 38 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.904 360.0 360.0 -76.0 -43.9 16.3 34.9 28.8 92 92 A K < 0 0 104 -4,-1.2 -3,-0.0 0, 0.0 0, 0.0 0.359 360.0 360.0 -71.6 360.0 19.2 37.3 28.3 93 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 95 A Y 0 0 87 0, 0.0 2,-0.3 0, 0.0 150,-0.2 0.000 360.0 360.0 360.0 147.9 23.2 33.9 22.8 95 96 A Q E -F 243 0A 162 148,-1.1 148,-2.6 1,-0.0 2,-0.3 -0.707 360.0-122.6-103.9 156.6 24.5 33.6 19.2 96 97 A K E -F 242 0A 131 -2,-0.3 2,-0.4 146,-0.2 146,-0.2 -0.742 14.7-160.3-102.7 144.5 22.8 31.9 16.3 97 98 A V E -F 241 0A 49 144,-2.8 144,-3.4 -2,-0.3 2,-0.4 -0.989 11.4-153.8-123.7 127.3 24.2 29.1 14.0 98 99 A S E -F 240 0A 36 -2,-0.4 142,-0.2 142,-0.2 -2,-0.0 -0.849 6.4-165.9-109.1 133.8 22.7 28.5 10.6 99 100 A Y E -F 239 0A 15 140,-2.0 140,-2.1 -2,-0.4 72,-0.1 -0.884 28.4-108.0-112.2 147.1 22.7 25.2 8.6 100 101 A P E -F 238 0A 4 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.350 32.7-150.6 -69.1 151.7 21.9 24.9 4.9 101 102 A L E - 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