==== 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 22-DEC-11 3V7U . 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 . 261 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 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 . 5 1.9 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 . 30 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.7 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 . 4 1.5 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 . 2 1 0 0 2 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 1 1 5 1 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 68 0, 0.0 29,-1.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-156.7 10.7 36.8 23.6 2 2 A K E +a 30 0A 69 33,-0.2 35,-2.8 27,-0.2 36,-1.1 -0.609 360.0 172.2 -76.6 141.8 7.8 34.4 22.8 3 3 A Y E -ab 31 38A 5 27,-2.1 29,-2.7 33,-0.2 2,-0.3 -0.950 18.1-164.0-143.1 162.7 8.8 30.7 23.1 4 4 A M E - b 0 39A 6 34,-1.9 36,-2.6 -2,-0.3 2,-0.4 -0.953 10.0-144.7-143.7 166.2 7.3 27.2 22.9 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.994 7.0-161.3-135.3 125.1 8.4 23.7 23.9 6 6 A T E - b 0 41A 20 34,-2.4 36,-2.4 -2,-0.4 2,-0.3 -0.802 13.6-154.9-101.1 151.2 7.6 20.5 22.1 7 7 A S E - b 0 42A 31 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.943 28.6-129.9-127.6 146.2 7.9 17.2 23.9 8 8 A K - 0 0 128 34,-1.9 35,-0.1 -2,-0.3 -1,-0.1 0.762 54.6-123.8 -58.1 -26.8 8.5 13.5 22.8 9 9 A G + 0 0 46 1,-0.4 2,-0.1 33,-0.2 -1,-0.1 0.449 69.0 124.3 97.2 0.2 5.5 13.0 25.1 10 10 A D S > S- 0 0 61 1,-0.1 4,-2.3 4,-0.0 -1,-0.4 -0.421 78.6 -97.2 -80.7 169.1 7.0 10.4 27.4 11 11 A E H > S+ 0 0 164 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.867 121.5 50.2 -56.0 -43.6 7.0 11.0 31.2 12 12 A K H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 112.8 44.9 -62.7 -44.8 10.5 12.3 31.3 13 13 A S H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.868 112.1 50.7 -73.6 -37.1 10.1 14.8 28.5 14 14 A D H X S+ 0 0 63 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.915 111.5 47.6 -66.3 -43.6 6.8 16.2 29.7 15 15 A L H X S+ 0 0 98 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.933 112.1 49.7 -61.4 -47.3 8.1 16.8 33.2 16 16 A L H X S+ 0 0 23 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.910 111.5 50.5 -58.5 -41.8 11.2 18.5 31.9 17 17 A R H X S+ 0 0 62 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.940 110.0 48.5 -62.6 -50.0 9.0 20.7 29.7 18 18 A L H X S+ 0 0 104 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.896 110.8 52.6 -56.2 -39.5 6.7 21.7 32.7 19 19 A N H X S+ 0 0 107 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.873 109.4 47.9 -65.4 -36.4 9.8 22.5 34.7 20 20 A M H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.884 110.1 51.5 -72.6 -38.4 11.3 24.8 32.0 21 21 A I H X S+ 0 0 44 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.901 110.6 49.2 -62.8 -42.0 8.0 26.6 31.6 22 22 A A H < S+ 0 0 63 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.960 112.9 47.9 -60.7 -48.3 7.9 27.2 35.3 23 23 A G H >< S+ 0 0 22 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.899 107.9 53.5 -56.9 -45.0 11.4 28.5 35.2 24 24 A F H >< S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.3 5,-0.3 0.770 93.3 75.3 -60.9 -27.1 10.7 30.8 32.3 25 25 A G T 3< S+ 0 0 57 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.610 86.3 62.4 -59.7 -12.3 7.9 32.1 34.4 26 26 A E T < S+ 0 0 160 -3,-1.7 -1,-0.3 -4,-0.2 2,-0.3 0.219 104.9 51.9 -99.7 12.3 10.5 34.0 36.4 27 27 A Y S < S- 0 0 105 -3,-1.9 2,-1.9 2,-0.2 65,-0.0 -0.841 104.4 -82.6-135.0 172.1 11.6 36.1 33.4 28 28 A D S S+ 0 0 164 -2,-0.3 2,-0.3 63,-0.1 -3,-0.1 -0.606 82.1 127.9 -76.5 82.2 10.1 38.3 30.7 29 29 A M - 0 0 21 -2,-1.9 2,-0.5 -5,-0.3 -27,-0.2 -0.971 43.7-156.8-144.1 125.8 9.1 35.3 28.5 30 30 A E E -a 2 0A 108 -29,-1.0 -27,-2.1 -2,-0.3 2,-0.5 -0.887 18.0-130.3-106.7 128.1 5.7 34.6 27.0 31 31 A Y E +a 3 0A 71 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.648 41.1 156.7 -72.5 121.3 4.6 31.1 26.0 32 32 A D - 0 0 32 -29,-2.7 5,-0.1 -2,-0.5 -2,-0.1 -0.864 25.0-177.3-151.2 109.6 3.2 31.2 22.5 33 33 A D S S+ 0 0 82 -2,-0.3 -29,-0.1 1,-0.1 -1,-0.0 0.305 82.5 61.3 -91.6 8.8 3.2 28.2 20.2 34 34 A V S S+ 0 0 97 1,-0.1 -1,-0.1 21,-0.0 -30,-0.1 0.853 123.5 7.8 -95.2 -52.7 1.7 30.3 17.3 35 35 A E S S+ 0 0 110 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.432 83.5 165.3-129.2 60.5 4.5 32.9 16.7 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.290 29.7-161.6 -67.7 159.7 7.4 31.8 18.9 37 37 A E S S+ 0 0 85 -35,-2.8 26,-2.1 1,-0.3 2,-0.4 0.454 85.5 44.7-112.1 -16.3 10.9 33.2 18.4 38 38 A I E -bc 3 63A 0 -36,-1.1 -34,-1.9 24,-0.2 2,-0.5 -0.999 67.4-169.6-128.2 128.6 12.4 30.4 20.3 39 39 A V E -bc 4 64A 0 24,-1.9 26,-2.1 -2,-0.4 2,-0.5 -0.961 4.7-166.4-119.2 114.2 11.4 26.7 19.8 40 40 A I E -bc 5 65A 0 -36,-2.6 -34,-2.4 -2,-0.5 2,-0.5 -0.869 4.5-162.0-100.9 126.8 12.8 24.2 22.4 41 41 A S E -bc 6 66A 0 24,-2.7 26,-3.0 -2,-0.5 2,-0.6 -0.948 2.3-165.3-112.6 125.3 12.4 20.6 21.4 42 42 A I E +bc 7 67A 0 -36,-2.4 -34,-1.9 -2,-0.5 2,-0.3 -0.907 56.4 42.5-115.4 109.1 12.7 17.9 24.1 43 43 A G S S- 0 0 0 24,-2.5 26,-0.2 -2,-0.6 27,-0.1 -0.982 94.4 -39.6 155.6-153.0 13.2 14.4 22.8 44 44 A G S > S- 0 0 26 -2,-0.3 4,-1.8 24,-0.2 23,-0.1 -0.086 70.6 -80.8 -91.1-165.2 15.3 12.8 20.1 45 45 A D H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.757 129.6 62.0 -67.8 -28.0 16.2 13.9 16.6 46 46 A G H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 105.4 45.7 -60.4 -43.8 12.7 12.6 15.6 47 47 A T H > S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.896 112.1 51.3 -64.6 -42.5 11.1 15.1 17.9 48 48 A F H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.898 106.8 53.3 -64.6 -40.7 13.4 17.9 16.7 49 49 A L H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.924 108.8 50.5 -59.5 -42.5 12.5 17.1 13.0 50 50 A S H X S+ 0 0 53 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.861 108.5 51.8 -61.5 -35.1 8.8 17.5 13.9 51 51 A A H X S+ 0 0 1 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.906 109.3 50.6 -68.0 -43.1 9.5 20.8 15.6 52 52 A F H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.5 44.0 -56.8 -48.2 11.3 22.0 12.5 53 53 A H H >< S+ 0 0 38 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.760 106.6 60.5 -74.3 -25.3 8.4 21.0 10.2 54 54 A Q H 3< S+ 0 0 106 -4,-1.8 -1,-0.2 1,-0.2 3,-0.2 0.881 119.5 28.6 -64.4 -36.0 5.8 22.4 12.6 55 55 A Y T >< S+ 0 0 13 -4,-1.4 3,-1.5 -3,-0.2 -1,-0.2 -0.043 78.5 123.1-115.2 31.8 7.4 25.8 12.1 56 56 A E G X S+ 0 0 58 -3,-0.7 3,-0.5 1,-0.3 -1,-0.1 0.665 71.7 61.6 -74.1 -8.4 8.9 25.6 8.6 57 57 A E G 3 S+ 0 0 182 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.605 109.7 39.7 -88.3 -14.6 6.9 28.7 7.5 58 58 A R G X S+ 0 0 51 -3,-1.5 3,-1.3 1,-0.1 4,-0.4 -0.166 72.2 132.5-126.0 38.1 8.6 30.9 10.1 59 59 A L G X S+ 0 0 7 -3,-0.5 3,-1.0 1,-0.3 183,-0.4 0.865 72.6 52.9 -59.1 -39.0 12.2 29.6 9.8 60 60 A D G 3 S+ 0 0 120 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.576 110.6 47.8 -77.1 -7.5 13.8 33.1 9.6 61 61 A E G < S+ 0 0 105 -3,-1.3 2,-0.4 -25,-0.1 -1,-0.2 0.331 104.2 73.7-108.7 3.5 11.9 34.3 12.8 62 62 A I < - 0 0 4 -3,-1.0 2,-0.5 -4,-0.4 180,-0.5 -0.944 56.4-159.8-124.8 138.4 12.8 31.3 15.0 63 63 A A E -c 38 0A 3 -26,-2.1 -24,-1.9 -2,-0.4 180,-0.3 -0.983 24.1-146.3-111.2 128.0 15.9 30.0 16.7 64 64 A F E -cd 39 243A 0 178,-3.1 180,-2.3 -2,-0.5 2,-0.3 -0.636 17.6-179.0 -93.9 150.5 15.8 26.3 17.6 65 65 A I E -c 40 0A 3 -26,-2.1 -24,-2.7 -2,-0.2 2,-0.4 -0.985 11.1-153.9-143.0 140.5 17.3 24.4 20.5 66 66 A G E -c 41 0A 0 9,-0.5 12,-1.7 -2,-0.3 2,-0.4 -0.949 5.4-165.4-122.9 133.6 17.2 20.7 21.3 67 67 A I E -ce 42 78A 0 -26,-3.0 -24,-2.5 -2,-0.4 2,-0.7 -0.950 17.3-140.5-111.5 130.1 17.4 18.8 24.6 68 68 A H + 0 0 20 10,-3.0 -24,-0.2 -2,-0.4 -26,-0.1 -0.802 19.5 180.0 -98.0 118.1 18.0 15.1 24.6 69 69 A T S S+ 0 0 21 -2,-0.7 -1,-0.2 -26,-0.2 3,-0.1 0.775 81.4 20.7 -84.8 -25.3 16.1 13.0 27.1 70 70 A G S S- 0 0 52 1,-0.4 3,-0.1 -27,-0.1 -2,-0.1 0.073 122.0 -11.2-106.6-134.5 17.7 9.9 25.8 71 71 A H S S- 0 0 157 1,-0.2 -1,-0.4 -2,-0.1 -2,-0.1 -0.099 89.7 -72.2 -63.5 162.5 21.0 9.5 23.9 72 72 A L - 0 0 20 185,-0.1 2,-0.2 -3,-0.1 5,-0.2 -0.266 51.8-156.9 -54.2 138.5 22.9 12.4 22.3 73 73 A G - 0 0 2 3,-1.5 -5,-0.1 -3,-0.1 -1,-0.1 -0.694 22.7-131.3-109.4 168.4 21.2 13.9 19.2 74 74 A F S S+ 0 0 22 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 0.727 114.0 22.8 -87.8 -24.4 22.7 15.8 16.4 75 75 A Y S S+ 0 0 4 1,-0.2 2,-1.2 -10,-0.1 -9,-0.5 0.701 123.3 56.2-106.7 -32.4 20.0 18.4 16.6 76 76 A A + 0 0 0 1,-0.2 -3,-1.5 -11,-0.1 -1,-0.2 -0.711 68.6 150.3-102.4 77.8 19.0 17.8 20.2 77 77 A D + 0 0 36 -2,-1.2 2,-0.3 -11,-0.2 -10,-0.2 0.241 35.2 89.3-107.6 12.7 22.5 18.3 21.6 78 78 A W B S-e 67 0A 19 -12,-1.7 -10,-3.0 -3,-0.1 -5,-0.1 -0.844 70.8-126.0-102.9 144.8 21.9 19.6 25.2 79 79 A R > - 0 0 122 -2,-0.3 3,-1.1 -12,-0.2 -10,-0.1 -0.586 18.1-122.5 -86.0 154.2 21.6 17.4 28.3 80 80 A P G > S+ 0 0 32 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.792 106.7 68.2 -62.2 -32.8 18.5 17.7 30.6 81 81 A A G 3 S+ 0 0 81 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.665 98.6 55.1 -65.0 -13.0 20.6 18.4 33.7 82 82 A E G <> S+ 0 0 27 -3,-1.1 4,-2.3 1,-0.2 -1,-0.3 0.235 73.1 107.6-102.7 9.8 21.4 21.7 32.1 83 83 A A H <> S+ 0 0 3 -3,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.902 78.2 51.6 -54.7 -43.8 17.8 22.8 31.5 84 84 A D H > S+ 0 0 120 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.890 109.6 48.2 -66.4 -38.8 18.0 25.4 34.3 85 85 A K H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 112.1 51.3 -67.9 -36.1 21.2 27.0 32.8 86 86 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.906 106.9 52.9 -63.1 -47.6 19.4 27.0 29.4 87 87 A V H X S+ 0 0 6 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.957 111.6 48.3 -47.5 -54.5 16.4 28.7 30.9 88 88 A K H X S+ 0 0 126 -4,-2.2 4,-1.8 1,-0.2 3,-0.4 0.950 114.8 40.9 -53.8 -58.5 18.7 31.4 32.3 89 89 A L H X S+ 0 0 72 -4,-2.4 4,-1.6 1,-0.3 -1,-0.2 0.821 114.0 52.6 -70.1 -32.0 20.7 32.1 29.2 90 90 A L H < S+ 0 0 0 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.828 107.3 54.6 -67.7 -34.1 17.7 32.0 26.8 91 91 A A H < S+ 0 0 19 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.942 109.9 43.6 -67.2 -51.4 15.9 34.5 29.0 92 92 A K H < S- 0 0 178 -4,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.897 95.5-167.3 -56.9 -42.0 18.6 37.1 28.9 93 93 A G < + 0 0 10 -4,-1.6 -1,-0.2 -5,-0.2 3,-0.1 -0.667 47.7 124.3 84.8-143.2 19.0 36.6 25.2 94 94 A E + 0 0 97 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.636 47.9 147.1 60.2 14.3 22.1 38.0 23.5 95 95 A Y - 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