==== 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/TRANSFERASE INHIBITOR 23-DEC-11 3V8P . 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) . 12342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.9 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 . 4 1.5 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 . 33 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 14.6 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 1 0 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 68 0, 0.0 29,-0.5 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 129.6 10.7 36.8 24.2 2 2 A K E +a 30 0A 53 27,-0.2 35,-1.9 33,-0.2 36,-1.0 -0.338 360.0 161.9 -64.9 142.8 8.1 34.4 22.8 3 3 A Y E -ab 31 38A 7 27,-1.9 29,-3.5 33,-0.2 2,-0.3 -0.972 20.9-163.2-155.1 164.1 8.9 30.7 23.0 4 4 A M E - b 0 39A 6 34,-2.1 36,-2.7 -2,-0.3 2,-0.4 -0.973 10.0-143.8-149.6 162.7 7.4 27.2 22.8 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.974 6.4-163.9-137.1 121.7 8.4 23.7 23.8 6 6 A T E - b 0 41A 20 34,-2.3 36,-1.9 -2,-0.4 2,-0.3 -0.695 15.0-154.3 -96.7 156.7 7.7 20.4 22.1 7 7 A S E - b 0 42A 30 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.965 28.5-126.3-136.4 148.6 8.1 17.0 23.9 8 8 A K - 0 0 121 34,-1.6 35,-0.1 -2,-0.3 3,-0.1 0.770 53.4-122.2 -59.7 -27.1 8.8 13.4 23.0 9 9 A G S S+ 0 0 47 1,-0.4 -1,-0.1 2,-0.1 34,-0.1 0.129 73.0 115.3 106.2 -20.1 5.6 12.6 25.0 10 10 A D S > S- 0 0 62 1,-0.1 4,-2.2 4,-0.0 -1,-0.4 -0.212 81.6 -98.4 -75.6 173.4 7.1 10.2 27.5 11 11 A E H > S+ 0 0 157 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.919 119.4 51.9 -59.3 -48.8 7.2 10.9 31.2 12 12 A K H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.906 113.6 43.1 -56.4 -46.4 10.9 12.1 31.3 13 13 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.898 112.1 50.8 -71.5 -43.5 10.4 14.7 28.5 14 14 A D H X S+ 0 0 64 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.892 111.0 48.6 -63.0 -41.1 7.0 16.1 29.6 15 15 A L H X S+ 0 0 93 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.848 110.6 50.9 -69.6 -34.5 8.2 16.8 33.2 16 16 A L H X S+ 0 0 25 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.896 110.6 50.5 -66.7 -39.7 11.3 18.4 31.9 17 17 A R H X S+ 0 0 60 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.907 110.2 48.7 -62.6 -44.6 9.1 20.6 29.7 18 18 A L H X S+ 0 0 95 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.878 111.6 50.0 -64.9 -38.5 6.9 21.5 32.6 19 19 A N H X S+ 0 0 111 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.882 109.8 49.6 -67.3 -40.0 9.9 22.4 34.7 20 20 A M H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.891 110.2 51.3 -66.9 -39.2 11.5 24.6 32.0 21 21 A I H X S+ 0 0 44 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.917 109.5 49.8 -62.1 -44.5 8.1 26.4 31.6 22 22 A A H < S+ 0 0 57 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.901 111.8 49.7 -59.4 -41.2 7.9 27.1 35.3 23 23 A G H >< S+ 0 0 17 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.888 107.5 52.4 -64.8 -41.5 11.5 28.4 35.1 24 24 A F H ><>S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.3 5,-0.6 0.764 98.0 68.4 -64.2 -25.2 10.6 30.7 32.2 25 25 A G T 3<5S+ 0 0 57 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.722 90.1 62.2 -66.2 -21.2 7.8 32.0 34.4 26 26 A E T < 5S+ 0 0 155 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.2 0.362 108.3 49.5 -85.7 5.0 10.4 33.5 36.6 27 27 A Y T < 5S- 0 0 101 -3,-1.7 2,-1.9 2,-0.1 61,-0.0 -0.767 105.4 -83.8-131.6 177.1 11.5 35.7 33.7 28 28 A D T 5S+ 0 0 146 -2,-0.2 2,-0.4 63,-0.1 -3,-0.1 -0.528 79.6 132.2 -83.3 71.6 10.0 38.0 31.0 29 29 A M < - 0 0 33 -2,-1.9 2,-0.6 -5,-0.6 -27,-0.2 -0.987 42.8-155.8-131.4 125.3 9.2 35.1 28.7 30 30 A E E -a 2 0A 110 -29,-0.5 -27,-1.9 -2,-0.4 2,-0.4 -0.880 16.0-134.6-104.8 120.6 5.8 34.5 27.0 31 31 A Y E +a 3 0A 72 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.576 38.5 157.2 -71.2 127.1 4.9 31.0 25.9 32 32 A D - 0 0 26 -29,-3.5 -2,-0.1 -2,-0.4 5,-0.0 -0.843 26.6-177.6-157.7 111.9 3.5 31.0 22.4 33 33 A D S S+ 0 0 80 -2,-0.3 -29,-0.1 1,-0.1 -2,-0.0 0.255 84.3 59.8 -96.3 11.8 3.3 28.1 19.9 34 34 A V S S+ 0 0 100 1,-0.0 -1,-0.1 21,-0.0 -30,-0.1 0.771 125.8 6.8-103.4 -40.8 1.9 30.2 17.1 35 35 A E S S+ 0 0 107 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.345 83.1 164.0-139.3 57.6 4.6 32.8 16.7 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.399 30.7-159.2 -73.3 152.4 7.6 31.8 19.0 37 37 A E S S+ 0 0 84 -35,-1.9 26,-2.0 1,-0.3 2,-0.4 0.570 86.7 43.4 -98.5 -18.6 11.0 33.3 18.5 38 38 A I E -bc 3 63A 2 -36,-1.0 -34,-2.1 24,-0.2 2,-0.6 -0.984 67.2-168.9-131.9 121.7 12.5 30.3 20.3 39 39 A V E -bc 4 64A 0 24,-1.6 26,-2.5 -2,-0.4 2,-0.5 -0.942 6.3-165.6-112.8 116.9 11.5 26.7 19.8 40 40 A I E -bc 5 65A 0 -36,-2.7 -34,-2.3 -2,-0.6 2,-0.5 -0.887 2.6-161.5-104.3 126.4 12.9 24.2 22.3 41 41 A S E -bc 6 66A 0 24,-3.1 26,-3.2 -2,-0.5 2,-0.6 -0.929 2.2-166.0-110.4 124.1 12.6 20.5 21.4 42 42 A I E +bc 7 67A 0 -36,-1.9 -34,-1.6 -2,-0.5 2,-0.3 -0.934 58.0 36.7-114.7 114.4 12.9 17.9 24.2 43 43 A G E S- c 0 68A 1 24,-3.0 26,-1.2 -2,-0.6 27,-0.3 -0.895 98.0 -35.3 155.3-122.5 13.5 14.3 23.1 44 44 A G > - 0 0 25 -2,-0.3 4,-1.5 24,-0.2 23,-0.1 -0.408 68.7 -79.5-119.1-163.1 15.6 12.9 20.2 45 45 A D H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.753 128.3 59.6 -73.5 -24.6 16.5 14.0 16.7 46 46 A G H > S+ 0 0 48 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.831 105.3 48.0 -69.8 -33.7 13.1 12.6 15.6 47 47 A T H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.872 110.8 51.1 -72.3 -38.2 11.4 15.1 17.9 48 48 A F H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.907 105.6 56.1 -65.5 -42.1 13.6 17.9 16.6 49 49 A L H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.929 109.1 47.0 -52.0 -49.0 12.7 17.0 13.0 50 50 A S H X S+ 0 0 56 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.905 109.9 52.3 -61.0 -44.9 9.0 17.4 13.9 51 51 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.901 109.7 50.9 -58.4 -42.0 9.6 20.7 15.7 52 52 A F H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.934 113.4 42.2 -60.9 -50.8 11.4 22.0 12.5 53 53 A H H >< S+ 0 0 20 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.801 106.4 63.7 -69.9 -29.9 8.6 21.0 10.1 54 54 A Q H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 118.7 26.5 -60.7 -29.2 6.0 22.3 12.6 55 55 A Y T X< S+ 0 0 10 -4,-0.9 3,-1.2 -3,-0.7 -1,-0.2 -0.084 79.7 122.9-127.7 34.3 7.5 25.7 12.1 56 56 A E G X + 0 0 50 -3,-1.1 3,-0.5 1,-0.2 -1,-0.1 0.560 68.4 67.0 -75.7 -6.5 9.0 25.6 8.6 57 57 A E G 3 S+ 0 0 160 1,-0.2 -1,-0.2 -4,-0.1 3,-0.1 0.608 109.5 34.1 -87.8 -13.2 6.9 28.6 7.5 58 58 A R G X S+ 0 0 49 -3,-1.2 3,-1.2 1,-0.1 4,-0.2 -0.239 71.4 137.5-134.2 46.4 8.7 31.0 9.8 59 59 A L G X S+ 0 0 8 -3,-0.5 3,-0.7 1,-0.3 182,-0.4 0.757 71.0 57.7 -65.0 -26.7 12.3 29.6 9.9 60 60 A D G 3 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.600 106.9 48.0 -83.3 -10.9 13.8 33.1 9.6 61 61 A E G < S+ 0 0 103 -3,-1.2 2,-0.4 -25,-0.1 -1,-0.2 0.332 103.9 77.3-106.0 4.8 12.1 34.3 12.8 62 62 A I < - 0 0 1 -3,-0.7 2,-0.5 -4,-0.2 179,-0.4 -0.921 54.6-161.5-125.3 141.0 13.0 31.3 14.9 63 63 A A E -c 38 0A 1 -26,-2.0 -24,-1.6 -2,-0.4 179,-0.3 -0.987 25.2-144.3-115.6 123.1 16.1 30.0 16.8 64 64 A F E -cd 39 242A 1 177,-2.9 179,-1.8 -2,-0.5 2,-0.4 -0.605 14.1-169.8 -91.5 144.4 16.0 26.2 17.6 65 65 A I E -c 40 0A 3 -26,-2.5 -24,-3.1 -2,-0.3 2,-0.5 -1.000 7.9-154.8-130.4 134.3 17.3 24.4 20.7 66 66 A G E -c 41 0A 1 9,-0.4 2,-0.5 -2,-0.4 -24,-0.2 -0.924 7.8-172.9-114.0 129.6 17.6 20.7 21.1 67 67 A I E -c 42 0A 0 -26,-3.2 -24,-3.0 -2,-0.5 2,-0.5 -0.978 13.0-150.0-118.9 127.3 17.6 18.8 24.4 68 68 A H E +c 43 0A 20 10,-2.3 -24,-0.2 -2,-0.5 4,-0.1 -0.846 22.5 170.3-103.6 130.9 18.3 15.0 24.4 69 69 A T S S+ 0 0 15 -26,-1.2 -25,-0.1 -2,-0.5 2,-0.1 0.455 83.3 65.7-116.4 -1.4 16.7 12.9 27.1 70 70 A G S S- 0 0 42 -27,-0.3 -2,-0.1 1,-0.2 2,-0.1 0.290 113.5 -56.1 112.9 121.3 17.9 11.0 25.2 71 71 A H S S- 0 0 181 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 -0.371 82.9 -63.8 -74.7 168.1 21.2 9.8 23.9 72 72 A L - 0 0 32 184,-0.1 2,-0.2 -2,-0.1 5,-0.2 -0.393 63.2-162.0 -58.9 114.6 23.5 12.5 22.3 73 73 A G - 0 0 7 3,-1.6 -5,-0.1 -2,-0.3 -7,-0.1 -0.645 25.3-130.2 -97.5 157.5 21.6 13.8 19.3 74 74 A F S S+ 0 0 20 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 0.852 113.5 24.1 -73.2 -34.8 23.1 15.7 16.4 75 75 A Y S S+ 0 0 7 1,-0.2 2,-1.2 -10,-0.1 -9,-0.4 0.743 119.6 62.5 -97.4 -32.0 20.4 18.4 16.6 76 76 A A + 0 0 1 1,-0.1 -3,-1.6 -11,-0.1 -1,-0.2 -0.679 61.7 155.7 -96.1 80.5 19.6 17.8 20.3 77 77 A D + 0 0 32 -2,-1.2 2,-0.4 -3,-0.2 -10,-0.2 -0.293 37.5 96.1-106.1 47.0 22.9 18.7 21.8 78 78 A W - 0 0 16 -2,-0.2 -10,-2.3 -12,-0.1 -5,-0.1 -0.987 67.4-131.4-135.7 127.6 21.8 19.6 25.4 79 79 A R > - 0 0 134 -2,-0.4 3,-1.8 -12,-0.2 -10,-0.1 -0.480 20.6-124.9 -72.6 144.3 21.9 17.4 28.4 80 80 A P G > S+ 0 0 31 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.855 110.1 60.0 -57.3 -38.8 18.7 17.3 30.5 81 81 A A G 3 S+ 0 0 82 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.539 99.4 59.4 -69.8 -5.6 20.6 18.2 33.7 82 82 A E G <> S+ 0 0 49 -3,-1.8 4,-1.9 1,-0.1 -1,-0.3 0.321 74.2 102.5-101.4 5.6 21.6 21.4 31.9 83 83 A A H <> S+ 0 0 3 -3,-1.9 4,-2.3 1,-0.2 5,-0.2 0.875 77.9 51.4 -58.8 -42.6 18.0 22.6 31.4 84 84 A D H > S+ 0 0 115 1,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.899 109.8 48.9 -64.8 -41.6 18.1 25.1 34.2 85 85 A K H > S+ 0 0 50 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 110.5 55.4 -61.2 -35.6 21.3 26.7 32.9 86 86 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.940 103.4 50.2 -64.3 -51.5 19.6 26.8 29.6 87 87 A V H X S+ 0 0 6 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.864 110.6 53.9 -57.4 -36.7 16.5 28.7 30.7 88 88 A K H >X S+ 0 0 127 -4,-1.5 4,-1.6 2,-0.2 3,-0.9 0.985 110.0 42.6 -58.5 -63.5 18.7 31.3 32.3 89 89 A L H 3X>S+ 0 0 63 -4,-2.0 5,-1.9 1,-0.3 4,-0.6 0.855 111.9 55.3 -56.1 -40.2 20.9 32.1 29.2 90 90 A L H 3<5S+ 0 0 3 -4,-2.4 3,-0.3 1,-0.2 -1,-0.3 0.830 106.8 51.9 -61.7 -33.6 17.8 32.2 26.9 91 91 A A H <<5S+ 0 0 24 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.884 111.3 43.9 -72.4 -40.0 16.2 34.8 29.2 92 92 A K H <5S- 0 0 86 -4,-1.6 -1,-0.2 2,-0.0 -2,-0.2 0.436 108.3-121.9 -87.3 -0.3 19.1 37.2 29.2 93 93 A G T <5 + 0 0 48 -4,-0.6 2,-0.6 -3,-0.3 -3,-0.2 0.908 55.9 154.6 60.4 45.3 19.8 36.8 25.5 94 94 A E < + 0 0 63 -5,-1.9 2,-0.3 -6,-0.1 -1,-0.2 -0.396 41.5 91.9 -98.8 55.1 23.3 35.6 25.9 95 95 A Y - 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