==== 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 3V8N . 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) . 12253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 72.8 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 . 71 27.6 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 . 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 . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 14.4 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 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 . 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 2 0 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 0 0 0 0 0 0 0 0 0 0 1 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 57 0, 0.0 29,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 170.5 10.3 37.4 24.0 2 2 A K + 0 0 57 33,-0.2 35,-1.8 27,-0.2 36,-0.8 -0.463 360.0 161.5 -79.6 148.5 8.0 34.6 22.7 3 3 A Y E -ab 31 38A 5 27,-1.3 29,-2.9 33,-0.2 2,-0.3 -0.974 18.7-160.0-157.1 162.5 9.0 30.9 22.9 4 4 A M E - b 0 39A 7 34,-2.1 36,-2.5 -2,-0.3 2,-0.4 -0.954 8.0-145.9-144.8 165.2 7.6 27.4 22.8 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.969 5.1-162.7-139.9 121.5 8.6 23.9 23.8 6 6 A T E - b 0 41A 23 34,-2.0 36,-2.0 -2,-0.4 2,-0.4 -0.757 14.6-153.1 -97.2 150.5 7.8 20.6 22.2 7 7 A S E - b 0 42A 31 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.956 26.9-128.7-127.9 143.3 8.3 17.3 24.1 8 8 A K - 0 0 125 34,-2.1 35,-0.1 -2,-0.4 -1,-0.1 0.794 55.0-120.3 -53.5 -29.9 9.0 13.7 23.1 9 9 A G S S+ 0 0 48 1,-0.4 -1,-0.1 33,-0.2 2,-0.1 0.325 72.5 114.7 107.5 -7.5 6.0 12.9 25.2 10 10 A D S > S- 0 0 67 1,-0.1 4,-2.3 4,-0.0 -1,-0.4 -0.324 81.4 -94.8 -87.3 176.0 7.4 10.6 27.9 11 11 A E H > S+ 0 0 171 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.910 122.0 50.0 -57.9 -47.5 7.7 11.3 31.6 12 12 A K H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.890 113.8 45.2 -60.2 -42.2 11.2 12.6 31.5 13 13 A S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 111.8 49.5 -72.9 -42.5 10.5 15.0 28.6 14 14 A D H X S+ 0 0 60 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.891 112.6 48.0 -64.5 -40.5 7.3 16.4 30.0 15 15 A L H X S+ 0 0 98 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.887 110.3 50.5 -69.5 -39.3 8.7 17.1 33.4 16 16 A L H X S+ 0 0 24 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.897 112.9 49.2 -62.4 -37.8 11.8 18.8 32.0 17 17 A R H X S+ 0 0 60 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.897 108.0 51.4 -68.0 -43.5 9.4 20.9 29.9 18 18 A L H X S+ 0 0 94 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.853 111.8 48.8 -64.6 -34.3 7.2 21.9 32.9 19 19 A N H X S+ 0 0 102 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.906 109.2 49.9 -70.9 -44.5 10.3 23.0 34.8 20 20 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.909 109.4 52.8 -62.1 -41.2 11.8 25.1 32.0 21 21 A I H X S+ 0 0 46 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.889 109.2 50.7 -58.0 -40.5 8.4 26.8 31.6 22 22 A A H >< S+ 0 0 55 -4,-1.3 3,-0.7 2,-0.2 4,-0.4 0.939 109.9 48.1 -62.9 -49.5 8.5 27.6 35.3 23 23 A G H >< S+ 0 0 18 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.870 109.3 54.7 -57.8 -37.7 12.0 29.0 35.1 24 24 A F H >< S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.3 5,-0.4 0.750 97.2 64.8 -67.8 -24.6 10.8 31.1 32.2 25 25 A G T << S+ 0 0 57 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.630 92.7 63.0 -71.5 -13.8 8.0 32.4 34.4 26 26 A E T < S+ 0 0 153 -3,-1.3 2,-0.3 -4,-0.4 -1,-0.3 0.326 109.0 45.5 -90.8 5.8 10.7 34.0 36.5 27 27 A Y S < S- 0 0 114 -3,-1.4 2,-1.9 2,-0.1 61,-0.0 -0.858 106.1 -81.5-137.4 171.2 11.6 36.2 33.5 28 28 A D S S+ 0 0 141 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.590 77.9 134.5 -75.8 84.2 9.9 38.2 30.8 29 29 A M - 0 0 18 -2,-1.9 2,-0.6 -5,-0.4 -27,-0.2 -0.831 39.9-161.1-141.4 97.9 9.1 35.2 28.6 30 30 A E - 0 0 105 -29,-0.4 -27,-1.3 -2,-0.3 2,-0.4 -0.699 19.4-133.3 -82.0 120.2 5.7 34.8 27.1 31 31 A Y B +a 3 0A 81 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.585 38.8 158.2 -70.8 127.5 4.9 31.3 26.0 32 32 A D - 0 0 30 -29,-2.9 -2,-0.0 -2,-0.4 5,-0.0 -0.847 29.2-172.2-157.2 114.8 3.4 31.3 22.5 33 33 A D S S+ 0 0 81 -2,-0.3 -29,-0.1 1,-0.1 -2,-0.0 0.233 85.7 60.9 -93.1 13.7 3.3 28.3 20.0 34 34 A V S S+ 0 0 98 1,-0.0 -1,-0.1 21,-0.0 -30,-0.1 0.826 123.0 8.2-100.9 -52.3 2.0 30.5 17.2 35 35 A E S S+ 0 0 100 -32,-0.1 -33,-0.2 3,-0.0 2,-0.1 -0.388 81.8 165.9-128.1 56.6 4.7 33.1 16.8 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.469 28.2-162.5 -73.5 142.4 7.6 32.0 19.0 37 37 A E S S+ 0 0 92 -35,-1.8 26,-1.7 1,-0.2 2,-0.4 0.561 85.0 45.2 -92.9 -14.2 11.1 33.6 18.5 38 38 A I E -bc 3 63A 3 -36,-0.8 -34,-2.1 24,-0.2 2,-0.5 -0.996 67.1-168.7-132.3 128.8 12.6 30.6 20.3 39 39 A V E -bc 4 64A 0 24,-2.0 26,-2.2 -2,-0.4 2,-0.5 -0.936 5.5-169.6-121.8 109.7 11.8 27.0 19.8 40 40 A I E -bc 5 65A 0 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.4 -0.857 5.1-160.8-100.2 130.8 13.1 24.5 22.4 41 41 A S E -bc 6 66A 1 24,-3.0 26,-3.2 -2,-0.5 2,-0.5 -0.927 1.6-163.0-113.7 132.6 12.8 20.8 21.6 42 42 A I E +bc 7 67A 0 -36,-2.0 -34,-2.1 -2,-0.4 2,-0.3 -0.952 58.5 31.9-122.6 118.0 13.1 18.1 24.3 43 43 A G E S- c 0 68A 2 24,-2.4 26,-1.4 -2,-0.5 27,-1.0 -0.834 99.9 -31.7 149.5-108.7 13.7 14.5 23.4 44 44 A G > - 0 0 20 -2,-0.3 4,-1.6 24,-0.2 23,-0.1 -0.614 69.8 -77.3-131.5-167.4 15.8 13.3 20.5 45 45 A D H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.849 127.6 56.7 -65.3 -34.1 16.8 14.3 17.0 46 46 A G H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 104.0 51.7 -64.0 -40.5 13.4 13.1 15.7 47 47 A T H > S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.893 109.8 50.7 -62.3 -39.4 11.6 15.4 18.1 48 48 A F H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.912 106.7 54.5 -63.4 -44.0 13.7 18.2 16.8 49 49 A L H X S+ 0 0 17 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.921 107.6 49.1 -53.7 -50.3 12.8 17.3 13.2 50 50 A S H X S+ 0 0 60 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.829 110.6 52.1 -59.3 -33.5 9.1 17.4 14.0 51 51 A A H X S+ 0 0 0 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.849 106.2 53.8 -73.6 -35.2 9.7 20.9 15.5 52 52 A F H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.942 112.4 42.6 -61.2 -49.1 11.5 22.1 12.4 53 53 A H H >< S+ 0 0 34 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.769 105.6 63.0 -73.4 -26.7 8.6 21.2 10.1 54 54 A Q H 3< S+ 0 0 109 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 118.6 27.9 -65.4 -29.0 6.0 22.5 12.5 55 55 A Y T X< S+ 0 0 16 -4,-1.0 3,-1.5 -3,-0.6 -1,-0.2 -0.051 78.5 126.5-123.7 31.9 7.5 26.0 12.1 56 56 A E T < S+ 0 0 61 -3,-0.9 3,-0.2 1,-0.3 -1,-0.1 0.468 71.0 61.3 -73.4 1.4 9.0 25.8 8.6 57 57 A E T 3 S+ 0 0 164 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.536 108.2 39.6-102.6 -10.5 7.1 28.9 7.6 58 58 A R S X S+ 0 0 41 -3,-1.5 3,-1.6 1,-0.1 4,-0.4 -0.069 73.9 128.1-124.8 32.9 8.7 31.2 10.1 59 59 A L G > + 0 0 9 1,-0.3 3,-0.9 -3,-0.2 180,-0.4 0.824 69.2 58.1 -58.5 -35.3 12.3 29.9 9.9 60 60 A D G 3 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.608 111.4 42.2 -74.6 -10.0 13.8 33.3 9.3 61 61 A E G < S+ 0 0 124 -3,-1.6 2,-0.4 -25,-0.1 -1,-0.2 0.354 103.0 81.6-115.1 1.8 12.4 34.6 12.6 62 62 A I < - 0 0 4 -3,-0.9 2,-0.5 -4,-0.4 177,-0.4 -0.863 55.3-157.5-117.1 143.7 13.1 31.6 14.8 63 63 A A E -c 38 0A 3 -26,-1.7 -24,-2.0 -2,-0.4 177,-0.2 -0.981 23.2-146.7-116.5 119.2 16.1 30.3 16.7 64 64 A F E -cd 39 240A 1 175,-2.9 177,-2.0 -2,-0.5 2,-0.3 -0.488 13.5-170.5 -87.4 152.8 16.0 26.6 17.5 65 65 A I E -c 40 0A 3 -26,-2.2 -24,-3.0 175,-0.2 2,-0.5 -0.970 7.9-154.0-144.8 126.0 17.4 24.7 20.5 66 66 A G E -c 41 0A 1 9,-0.5 12,-1.4 -2,-0.3 2,-0.5 -0.879 9.0-175.1-109.6 122.6 17.7 21.0 21.0 67 67 A I E -ce 42 78A 1 -26,-3.2 -24,-2.4 -2,-0.5 2,-0.6 -0.945 13.4-150.0-111.6 131.1 17.8 19.2 24.3 68 68 A H E +c 43 0A 19 10,-2.4 -24,-0.2 -2,-0.5 -26,-0.1 -0.890 20.8 175.1-103.8 119.2 18.4 15.5 24.5 69 69 A T S S+ 0 0 18 -26,-1.4 -1,-0.1 -2,-0.6 -25,-0.1 0.481 81.6 34.1 -92.0 -6.9 16.8 13.5 27.3 70 70 A G S S- 0 0 49 -27,-1.0 3,-0.1 1,-0.4 -2,-0.1 0.005 119.8 -14.9-114.3-136.2 18.1 10.3 25.7 71 71 A H S S- 0 0 184 1,-0.1 -1,-0.4 -2,-0.1 -2,-0.1 -0.337 86.8 -81.9 -68.9 152.7 21.3 9.7 23.8 72 72 A L - 0 0 33 -3,-0.1 2,-0.3 182,-0.1 5,-0.2 -0.324 53.4-158.2 -56.4 129.5 23.3 12.6 22.5 73 73 A G - 0 0 5 3,-2.1 -5,-0.1 -3,-0.1 -1,-0.1 -0.744 26.3-124.9-112.0 160.4 21.8 13.9 19.2 74 74 A F S S+ 0 0 18 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 0.853 116.8 23.8 -71.3 -34.1 23.3 15.9 16.4 75 75 A Y S S+ 0 0 9 1,-0.2 2,-1.4 -10,-0.1 -9,-0.5 0.795 120.9 59.3 -95.7 -39.1 20.5 18.5 16.7 76 76 A A + 0 0 1 1,-0.2 -3,-2.1 -11,-0.1 -1,-0.2 -0.685 65.7 147.7 -89.5 82.6 19.6 17.8 20.3 77 77 A D + 0 0 40 -2,-1.4 2,-0.4 -11,-0.4 -10,-0.2 0.175 36.8 92.5-109.7 16.2 23.1 18.6 21.7 78 78 A W B -e 67 0A 36 -12,-1.4 -10,-2.4 -3,-0.1 -5,-0.1 -0.930 69.7-129.9-111.5 134.7 22.3 20.0 25.1 79 79 A R > - 0 0 127 -2,-0.4 3,-2.0 -12,-0.2 -10,-0.1 -0.538 19.6-122.4 -78.0 146.8 22.1 17.9 28.3 80 80 A P G > S+ 0 0 33 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.852 109.5 68.5 -54.0 -37.2 19.0 18.2 30.5 81 81 A A G 3 S+ 0 0 91 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.499 98.2 52.8 -65.1 -2.7 21.3 19.2 33.5 82 82 A E G <> S+ 0 0 59 -3,-2.0 4,-1.8 1,-0.1 -1,-0.3 0.260 76.2 105.1-113.1 9.0 21.9 22.5 31.6 83 83 A A H <> S+ 0 0 3 -3,-2.5 4,-2.0 1,-0.2 -2,-0.1 0.890 79.6 49.4 -57.9 -44.3 18.3 23.4 31.1 84 84 A D H > S+ 0 0 115 -4,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.858 107.8 54.1 -67.6 -35.1 18.3 26.1 33.8 85 85 A K H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.875 106.6 53.4 -63.9 -37.7 21.4 27.7 32.4 86 86 A L H X S+ 0 0 1 -4,-1.8 4,-3.1 1,-0.2 5,-0.3 0.939 104.7 55.1 -59.8 -49.3 19.6 27.8 29.0 87 87 A V H X S+ 0 0 4 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.916 110.1 45.4 -48.5 -51.9 16.7 29.7 30.6 88 88 A K H >X S+ 0 0 43 -4,-1.8 4,-1.6 2,-0.2 3,-0.5 0.956 117.0 41.6 -61.3 -54.8 19.0 32.4 32.0 89 89 A L H 3X S+ 0 0 88 -4,-2.1 4,-1.0 1,-0.2 6,-0.3 0.876 111.6 55.9 -63.7 -39.9 21.0 33.0 28.9 90 90 A L H 3< S+ 0 0 1 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.806 107.4 54.4 -60.4 -29.1 18.0 32.8 26.6 91 91 A A H << S+ 0 0 32 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.992 130.2 3.4 -70.4 -65.5 16.4 35.6 28.8 92 92 A K H < S+ 0 0 86 -4,-1.6 2,-0.4 2,-0.0 -1,-0.2 -0.194 100.4 120.3-119.7 40.4 19.0 38.4 28.7 93 93 A G < - 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