==== 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 2I29 . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1 . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES EGD-E; . AUTHOR G.PONCET-MONTANGE,L.ASSAIRI,S.AROLD,S.POCHET.,G.LABESSE . 255 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 26.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 6 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 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 28,-0.5 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 159.6 10.9 36.4 24.8 2 2 A K + 0 0 63 27,-0.2 35,-1.5 33,-0.1 36,-0.7 -0.337 360.0 161.0 -62.6 139.1 8.3 34.1 23.3 3 3 A Y E -ab 31 38A 5 27,-1.7 29,-3.2 33,-0.2 2,-0.3 -0.975 22.4-161.9-151.7 159.7 9.1 30.3 23.4 4 4 A M E - b 0 39A 7 34,-2.2 36,-2.6 -2,-0.3 2,-0.4 -0.961 10.2-145.1-140.0 163.9 7.5 26.9 23.1 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.985 7.7-162.8-130.9 120.4 8.5 23.4 24.1 6 6 A T E - b 0 41A 17 34,-2.7 36,-1.9 -2,-0.4 2,-0.3 -0.716 14.4-157.1 -90.9 152.8 7.6 20.2 22.2 7 7 A S E - b 0 42A 33 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.971 28.6-127.5-132.6 148.3 7.9 16.8 23.9 8 8 A K - 0 0 108 34,-2.2 35,-0.1 -2,-0.3 3,-0.1 0.725 52.0-122.4 -58.8 -26.6 8.3 13.2 22.8 9 9 A G S S+ 0 0 48 1,-0.4 2,-0.1 33,-0.2 -1,-0.1 0.385 70.5 121.9 97.5 -5.0 5.2 12.4 25.0 10 10 A D S > S- 0 0 60 1,-0.1 4,-2.0 4,-0.0 -1,-0.4 -0.369 79.2 -99.3 -76.2 169.5 6.7 9.8 27.4 11 11 A E H > S+ 0 0 86 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.867 120.1 51.3 -61.6 -41.6 6.7 10.4 31.1 12 12 A K H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 112.3 45.0 -60.1 -48.6 10.3 11.7 31.4 13 13 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 113.3 48.2 -67.4 -44.7 9.9 14.3 28.5 14 14 A D H X S+ 0 0 67 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.917 113.0 48.1 -60.1 -48.1 6.6 15.7 29.6 15 15 A L H X S+ 0 0 51 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.879 111.9 50.0 -61.7 -40.1 7.7 16.1 33.3 16 16 A L H X S+ 0 0 30 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.870 110.5 50.5 -66.8 -37.5 10.9 17.8 32.1 17 17 A R H X S+ 0 0 63 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.929 109.5 50.3 -64.4 -46.0 8.9 20.1 29.9 18 18 A L H X S+ 0 0 108 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.932 110.6 49.5 -58.2 -46.7 6.6 21.1 32.8 19 19 A N H X S+ 0 0 111 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.849 111.8 48.7 -60.5 -38.9 9.6 21.9 35.0 20 20 A M H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.908 108.6 53.3 -65.8 -45.0 11.1 24.0 32.3 21 21 A I H X S+ 0 0 46 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.928 111.1 46.9 -54.4 -45.8 7.8 25.9 31.8 22 22 A A H X S+ 0 0 49 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.904 111.1 52.0 -63.0 -42.2 7.8 26.6 35.6 23 23 A G H < S+ 0 0 18 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.882 110.6 47.5 -59.1 -42.1 11.5 27.7 35.4 24 24 A F H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.809 101.7 65.7 -68.8 -32.8 10.7 30.1 32.5 25 25 A G H 3< S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 93.0 60.9 -55.4 -33.0 7.7 31.3 34.6 26 26 A E T 3< S+ 0 0 155 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.701 116.8 32.6 -69.3 -22.3 10.2 32.7 37.1 27 27 A Y S < S- 0 0 122 -3,-1.2 2,-0.1 -4,-0.3 59,-0.0 -0.153 103.2-101.7-103.7-153.1 11.6 34.9 34.2 28 28 A D + 0 0 72 -2,-0.1 2,-0.2 61,-0.1 -26,-0.1 -0.300 61.8 133.4 174.6 103.8 9.3 36.2 31.4 29 29 A M - 0 0 18 -28,-0.5 2,-0.3 -5,-0.1 -27,-0.2 -0.697 51.5-131.4 93.1 58.7 9.3 34.8 28.9 30 30 A E - 0 0 116 -2,-0.2 -27,-1.7 2,-0.0 2,-0.5 -0.663 17.0-126.6 -83.7 135.4 5.8 34.1 27.6 31 31 A Y B +a 3 0A 76 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.747 40.6 161.5 -80.2 125.0 4.9 30.6 26.3 32 32 A D + 0 0 43 -29,-3.2 -2,-0.0 -2,-0.5 5,-0.0 -0.817 24.1 179.9-150.2 107.5 3.5 30.8 22.8 33 33 A D S S+ 0 0 83 -2,-0.3 -29,-0.1 2,-0.1 -1,-0.1 0.352 82.5 61.7 -87.7 4.6 3.3 27.9 20.4 34 34 A V S S+ 0 0 117 1,-0.1 -1,-0.1 21,-0.0 -30,-0.1 0.895 124.6 5.1 -88.3 -56.1 1.7 30.0 17.7 35 35 A E S S+ 0 0 62 -32,-0.1 -2,-0.1 26,-0.0 -33,-0.1 -0.421 84.0 165.8-129.1 58.6 4.6 32.6 17.0 36 36 A P - 0 0 6 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.351 32.5-157.6 -75.4 154.4 7.6 31.6 19.2 37 37 A E S S+ 0 0 83 -35,-1.5 26,-2.0 1,-0.2 2,-0.4 0.532 87.5 42.4 -99.3 -16.0 11.1 32.9 18.8 38 38 A I E -bc 3 63A 1 -36,-0.7 -34,-2.2 24,-0.2 2,-0.5 -0.998 66.5-167.8-138.0 127.6 12.5 29.9 20.5 39 39 A V E -bc 4 64A 0 24,-1.9 26,-2.5 -2,-0.4 2,-0.5 -0.975 5.9-165.4-119.7 118.0 11.5 26.3 20.0 40 40 A I E -bc 5 65A 0 -36,-2.6 -34,-2.7 -2,-0.5 2,-0.5 -0.913 3.4-161.5-106.1 126.4 12.7 23.6 22.5 41 41 A S E -bc 6 66A 2 24,-2.5 26,-3.4 -2,-0.5 2,-0.6 -0.921 3.0-167.3-110.5 126.4 12.4 20.0 21.6 42 42 A I E +bc 7 67A 0 -36,-1.9 -34,-2.2 -2,-0.5 2,-0.3 -0.936 59.5 41.0-116.8 111.7 12.6 17.3 24.3 43 43 A G E S- c 0 68A 2 24,-2.4 26,-1.6 -2,-0.6 2,-0.1 -0.916 97.5 -42.5 158.6-132.0 13.0 13.8 22.9 44 44 A G S > S- 0 0 25 -2,-0.3 4,-2.0 24,-0.2 3,-0.1 -0.366 70.8 -74.3-114.8-163.0 15.1 12.4 20.1 45 45 A D H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.815 129.5 60.4 -67.5 -31.5 15.9 13.6 16.6 46 46 A G H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 106.4 46.5 -56.0 -44.4 12.4 12.5 15.5 47 47 A T H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.927 112.4 50.1 -65.2 -46.2 11.0 15.0 18.0 48 48 A F H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.904 110.0 50.3 -59.9 -43.3 13.4 17.6 16.7 49 49 A L H X S+ 0 0 12 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.900 110.7 49.3 -59.7 -46.1 12.4 16.9 13.1 50 50 A S H X S+ 0 0 60 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.892 110.3 51.8 -56.8 -44.9 8.7 17.2 14.0 51 51 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.935 110.6 47.9 -56.6 -50.9 9.5 20.6 15.8 52 52 A F H < S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.894 113.9 46.2 -56.9 -44.6 11.3 21.9 12.7 53 53 A H H >< S+ 0 0 39 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.775 105.4 60.9 -75.0 -22.7 8.4 20.8 10.4 54 54 A Q H 3< S+ 0 0 103 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 119.1 27.4 -67.8 -32.7 5.8 22.3 12.7 55 55 A Y T >< S+ 0 0 16 -4,-1.2 3,-1.9 -3,-0.3 -1,-0.2 -0.021 77.3 126.1-121.4 28.1 7.4 25.8 12.3 56 56 A E T < S+ 0 0 39 -3,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.613 73.0 60.1 -67.6 -9.4 9.0 25.6 8.8 57 57 A E T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.581 108.8 42.2 -89.7 -11.8 7.1 28.7 7.8 58 58 A R S X> S+ 0 0 31 -3,-1.9 3,-1.6 1,-0.1 4,-1.1 -0.049 72.2 127.3-124.3 32.1 8.8 30.8 10.5 59 59 A L T 34 S+ 0 0 6 -3,-0.4 179,-0.4 1,-0.3 -1,-0.1 0.755 72.4 55.3 -58.2 -31.7 12.4 29.5 10.2 60 60 A D T 34 S+ 0 0 130 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.529 112.2 44.3 -82.8 -7.5 13.8 33.0 9.8 61 61 A E T <4 S+ 0 0 128 -3,-1.6 2,-0.3 -25,-0.1 -2,-0.2 0.587 104.9 73.6-107.8 -17.2 12.2 34.1 13.1 62 62 A I < - 0 0 4 -4,-1.1 176,-0.5 -7,-0.1 2,-0.4 -0.776 53.7-160.7-110.4 142.9 13.1 31.0 15.3 63 63 A A E -c 38 0A 5 -26,-2.0 -24,-1.9 -2,-0.3 2,-0.3 -0.984 24.4-143.2-113.1 133.6 16.1 29.5 16.9 64 64 A F E -cd 39 239A 0 174,-2.9 176,-2.0 -2,-0.4 2,-0.4 -0.733 16.8-175.2-100.4 142.6 15.9 25.8 17.8 65 65 A I E -c 40 0A 2 -26,-2.5 -24,-2.5 -2,-0.3 2,-0.4 -0.996 10.5-153.4-131.3 141.6 17.3 24.0 20.9 66 66 A G E -c 41 0A 2 -2,-0.4 10,-1.4 7,-0.3 2,-0.5 -0.951 6.6-163.1-119.4 134.3 17.2 20.2 21.5 67 67 A I E -ce 42 76A 3 -26,-3.4 -24,-2.4 -2,-0.4 2,-0.6 -0.967 17.2-145.3-110.1 128.6 17.2 18.2 24.7 68 68 A H E c 43 0A 80 8,-3.3 -24,-0.2 -2,-0.5 -26,-0.1 -0.823 360.0 360.0-100.4 116.1 18.1 14.5 24.3 69 69 A T 0 0 67 -26,-1.6 -1,-0.1 -2,-0.6 -25,-0.1 0.734 360.0 360.0 -77.3 360.0 16.3 12.1 26.7 70 ! 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 71 73 A G > 0 0 46 0, 0.0 3,-1.0 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 78.1 20.4 12.3 19.8 72 74 A F T 3 + 0 0 17 1,-0.2 182,-0.1 182,-0.1 -4,-0.0 0.875 360.0 48.9 -63.4 -47.8 22.3 14.0 17.0 73 75 A Y T 3 S+ 0 0 6 -6,-0.1 2,-0.4 -8,-0.0 -7,-0.3 0.501 95.1 105.7 -74.1 -6.3 20.5 17.4 16.9 74 76 A A < + 0 0 15 -3,-1.0 -7,-0.1 1,-0.1 -29,-0.0 -0.923 38.6 174.8 -98.3 132.6 20.8 17.9 20.8 75 77 A D + 0 0 30 -2,-0.4 2,-0.4 -9,-0.4 -8,-0.2 -0.079 62.0 61.9 74.2 -74.2 22.8 19.8 22.5 76 78 A W B -e 67 0A 25 -10,-1.4 -8,-3.3 3,-0.0 5,-0.0 -0.965 55.8-147.0-136.1 142.6 21.4 19.1 26.0 77 79 A R > - 0 0 149 -2,-0.4 3,-2.0 -10,-0.2 4,-0.3 -0.741 37.0-110.9 -92.8 151.4 21.0 16.4 28.6 78 80 A P G > S+ 0 0 50 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.839 115.3 59.0 -45.9 -43.8 18.0 16.5 31.0 79 81 A A G 3 S+ 0 0 88 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.639 103.8 52.8 -68.3 -13.5 20.1 17.2 34.1 80 82 A E G X> S+ 0 0 79 -3,-2.0 4,-2.0 1,-0.2 3,-0.8 0.411 78.1 103.3 -96.4 -1.3 21.4 20.4 32.4 81 83 A A H <> S+ 0 0 2 -3,-1.9 4,-2.4 -4,-0.3 -1,-0.2 0.802 76.5 53.5 -55.7 -37.6 17.9 21.7 31.7 82 84 A D H 3> S+ 0 0 123 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.3 0.833 107.6 51.7 -67.9 -34.7 17.9 24.2 34.6 83 85 A K H <> S+ 0 0 50 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.938 109.7 50.6 -63.0 -47.9 21.2 25.7 33.3 84 86 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.923 106.9 53.0 -53.5 -51.0 19.6 26.0 29.9 85 87 A V H X S+ 0 0 6 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.932 113.4 44.9 -51.0 -49.5 16.5 27.8 31.3 86 88 A K H X S+ 0 0 39 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.894 115.8 43.9 -63.1 -46.5 18.9 30.3 33.0 87 89 A L H X>S+ 0 0 47 -4,-2.8 5,-2.2 2,-0.2 4,-1.2 0.904 114.7 49.5 -68.2 -41.6 21.1 30.9 30.0 88 90 A L H <5S+ 0 0 4 -4,-3.1 3,-0.3 -5,-0.2 -2,-0.2 0.896 109.8 53.8 -61.1 -42.6 18.2 31.2 27.6 89 91 A A H <5S+ 0 0 30 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.885 111.5 43.2 -58.3 -44.9 16.6 33.6 30.1 90 92 A K H <5S- 0 0 69 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.664 108.3-125.0 -76.5 -17.1 19.7 35.9 30.1 91 93 A G T <5 + 0 0 40 -4,-1.2 2,-1.8 -3,-0.3 -3,-0.2 0.803 52.9 158.2 72.6 31.4 20.0 35.6 26.3 92 94 A E < + 0 0 131 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.517 38.1 97.7 -88.0 69.5 23.6 34.4 26.6 93 95 A Y - 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