==== 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 3V8M . 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) . 12246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 26.8 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 . 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 12.8 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 . 35 13.6 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+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 1 1 1 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 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 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 43 0, 0.0 29,-1.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 154.9 10.6 36.8 23.5 2 2 A K E +a 30 0A 59 33,-0.2 35,-3.2 27,-0.2 36,-1.3 -0.669 360.0 168.9 -81.8 143.6 7.8 34.6 22.5 3 3 A Y E -ab 31 38A 6 27,-2.1 29,-3.0 -2,-0.3 2,-0.3 -0.929 21.4-166.2-149.8 169.1 8.6 30.9 22.8 4 4 A M E - b 0 39A 7 34,-1.6 36,-2.4 -2,-0.3 2,-0.4 -0.975 10.8-144.4-156.1 162.7 7.2 27.3 22.7 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.986 6.7-162.9-138.3 124.8 8.3 23.8 23.7 6 6 A T E - b 0 41A 24 34,-2.3 36,-1.3 -2,-0.4 2,-0.3 -0.719 14.0-154.3-100.2 158.9 7.5 20.5 22.0 7 7 A S E - b 0 42A 28 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.979 29.1-125.6-137.8 145.3 8.0 17.1 23.7 8 8 A K - 0 0 102 34,-2.3 35,-0.1 -2,-0.3 3,-0.1 0.777 54.8-121.8 -56.6 -25.9 8.7 13.5 22.7 9 9 A G S S+ 0 0 46 1,-0.4 -1,-0.1 33,-0.2 34,-0.1 0.197 72.5 119.7 104.8 -15.9 5.6 12.8 24.8 10 10 A D S > S- 0 0 62 1,-0.1 4,-1.7 4,-0.0 -1,-0.4 -0.188 79.6 -97.5 -73.7 174.5 7.2 10.4 27.3 11 11 A E H > S+ 0 0 78 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.908 119.4 51.0 -63.2 -46.5 7.3 11.1 31.0 12 12 A K H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.842 111.4 48.7 -62.0 -34.8 10.8 12.5 31.2 13 13 A S H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.872 110.3 46.9 -77.7 -40.0 10.2 15.0 28.4 14 14 A D H X S+ 0 0 59 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.876 113.7 49.4 -70.2 -36.8 6.9 16.5 29.5 15 15 A L H X S+ 0 0 109 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.859 112.2 47.2 -71.3 -35.4 8.2 17.0 33.0 16 16 A L H X S+ 0 0 27 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.829 112.3 52.9 -70.7 -30.7 11.3 18.6 31.8 17 17 A R H X S+ 0 0 57 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.911 109.0 46.6 -69.6 -44.6 9.1 20.7 29.5 18 18 A L H X S+ 0 0 96 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.856 110.3 54.4 -67.5 -35.3 6.8 21.9 32.4 19 19 A N H X S+ 0 0 106 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.859 109.6 46.8 -65.4 -36.7 9.9 22.7 34.5 20 20 A M H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.904 111.9 50.0 -72.7 -40.8 11.3 24.9 31.8 21 21 A I H X S+ 0 0 45 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.894 111.3 50.7 -59.2 -40.4 7.9 26.6 31.3 22 22 A A H < S+ 0 0 54 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 113.4 43.7 -64.3 -45.1 7.9 27.1 35.1 23 23 A G H >< S+ 0 0 17 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.807 110.6 56.1 -69.2 -31.1 11.4 28.6 35.0 24 24 A F H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.2 5,-0.3 0.818 96.6 64.5 -68.8 -31.4 10.5 30.7 31.9 25 25 A G T 3< S+ 0 0 57 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.441 90.9 66.5 -72.2 0.8 7.6 32.2 33.9 26 26 A E T < S+ 0 0 154 -3,-1.1 -1,-0.3 -5,-0.1 2,-0.2 0.443 105.4 48.3 -95.2 -4.0 10.1 33.7 36.2 27 27 A Y S < S- 0 0 100 -3,-1.9 2,-1.7 2,-0.1 61,-0.0 -0.648 106.1 -81.2-124.4 179.1 11.3 35.9 33.3 28 28 A D S S+ 0 0 147 -2,-0.2 2,-0.4 63,-0.2 -3,-0.1 -0.621 80.9 128.5 -83.3 78.8 9.8 38.2 30.6 29 29 A M - 0 0 21 -2,-1.7 2,-0.4 -5,-0.3 -27,-0.2 -0.946 44.6-155.9-141.1 114.6 8.9 35.3 28.3 30 30 A E E -a 2 0A 102 -29,-1.0 -27,-2.1 -2,-0.4 2,-0.6 -0.778 17.8-132.5 -91.2 131.5 5.5 34.8 26.7 31 31 A Y E +a 3 0A 74 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.752 39.3 157.7 -83.1 118.8 4.6 31.2 25.7 32 32 A D - 0 0 23 -29,-3.0 5,-0.1 -2,-0.6 -2,-0.0 -0.923 26.3-174.3-146.0 114.0 3.1 31.3 22.2 33 33 A D S S+ 0 0 79 -2,-0.3 -29,-0.1 2,-0.1 -2,-0.0 0.126 84.9 59.3 -94.9 20.6 3.1 28.3 19.9 34 34 A V S S+ 0 0 95 21,-0.0 -1,-0.1 0, 0.0 -30,-0.1 0.753 124.0 8.2-108.7 -49.4 1.7 30.4 17.0 35 35 A E S S+ 0 0 106 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.342 83.4 163.7-131.6 53.0 4.4 33.0 16.5 36 36 A P - 0 0 0 0, 0.0 -33,-0.3 0, 0.0 3,-0.1 -0.240 31.6-158.4 -67.5 159.9 7.3 32.0 18.8 37 37 A E S S+ 0 0 90 -35,-3.2 26,-1.8 1,-0.3 2,-0.4 0.517 85.9 43.8-107.9 -18.9 10.8 33.5 18.3 38 38 A I E -bc 3 63A 0 -36,-1.3 -34,-1.6 24,-0.2 2,-0.5 -0.996 67.5-167.8-129.9 128.5 12.3 30.5 20.1 39 39 A V E -bc 4 64A 1 24,-2.0 26,-2.2 -2,-0.4 2,-0.6 -0.965 5.1-166.7-120.3 118.8 11.4 26.9 19.6 40 40 A I E -bc 5 65A 0 -36,-2.4 -34,-2.3 -2,-0.5 2,-0.4 -0.913 3.1-161.5-110.0 120.7 12.7 24.3 22.1 41 41 A S E -bc 6 66A 1 24,-3.1 26,-3.0 -2,-0.6 2,-0.5 -0.841 2.0-164.4-102.0 135.7 12.4 20.6 21.2 42 42 A I E +bc 7 67A 0 -36,-1.3 -34,-2.3 -2,-0.4 2,-0.3 -0.945 59.7 34.1-126.8 113.1 12.6 18.0 23.9 43 43 A G E S- c 0 68A 1 24,-2.7 26,-1.2 -2,-0.5 27,-0.7 -0.830 100.0 -34.9 152.6-112.6 13.3 14.4 22.9 44 44 A G > - 0 0 16 -2,-0.3 4,-2.1 24,-0.2 3,-0.2 -0.682 67.9 -77.4-132.8-173.4 15.5 13.3 20.0 45 45 A D H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.865 130.4 56.8 -54.7 -36.7 16.5 14.3 16.5 46 46 A G H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 106.2 46.6 -60.8 -44.9 13.1 12.9 15.5 47 47 A T H > S+ 0 0 22 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.840 112.5 52.4 -67.4 -31.9 11.2 15.2 17.9 48 48 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.903 104.8 54.0 -70.2 -42.8 13.4 18.1 16.5 49 49 A L H X S+ 0 0 15 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.931 109.7 48.1 -53.9 -49.3 12.5 17.3 12.9 50 50 A S H X S+ 0 0 65 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.900 110.0 52.8 -58.2 -41.8 8.8 17.5 13.7 51 51 A A H X S+ 0 0 2 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.910 110.4 48.2 -61.8 -43.7 9.5 20.8 15.5 52 52 A F H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.953 111.4 48.1 -58.2 -54.0 11.2 22.1 12.5 53 53 A H H >< S+ 0 0 50 -4,-2.7 3,-0.5 1,-0.3 -1,-0.2 0.690 104.8 60.7 -67.4 -18.4 8.4 21.1 10.1 54 54 A Q H 3< S+ 0 0 107 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.749 118.1 29.4 -76.7 -23.2 5.8 22.5 12.3 55 55 A Y T X< S+ 0 0 13 -3,-1.4 3,-1.1 -4,-0.7 -1,-0.2 -0.092 77.3 122.7-128.5 35.2 7.4 26.0 11.9 56 56 A E G X S+ 0 0 53 -3,-0.5 3,-0.6 1,-0.2 4,-0.1 0.661 70.9 64.0 -73.0 -14.1 8.9 25.8 8.4 57 57 A E G 3 S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.636 109.5 37.3 -83.7 -15.3 6.9 28.9 7.4 58 58 A R G X S+ 0 0 58 -3,-1.1 3,-1.3 1,-0.1 4,-0.3 -0.153 74.6 134.5-125.9 39.8 8.7 31.1 9.9 59 59 A L G X S+ 0 0 6 -3,-0.6 3,-1.2 1,-0.3 181,-0.4 0.873 72.6 49.1 -57.6 -44.3 12.2 29.7 9.7 60 60 A D G 3 S+ 0 0 114 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.539 111.0 52.3 -78.6 -4.3 14.0 33.1 9.5 61 61 A E G < S+ 0 0 95 -3,-1.3 2,-0.3 -25,-0.0 -1,-0.2 0.359 103.3 72.3-106.2 1.6 12.0 34.4 12.5 62 62 A I < - 0 0 4 -3,-1.2 2,-0.5 -4,-0.3 178,-0.4 -0.905 58.3-157.2-122.0 145.9 12.8 31.4 14.8 63 63 A A E -c 38 0A 2 -26,-1.8 -24,-2.0 -2,-0.3 178,-0.3 -0.993 25.1-146.0-117.1 123.8 15.9 30.2 16.7 64 64 A F E -cd 39 241A 1 176,-3.0 178,-2.2 -2,-0.5 2,-0.3 -0.568 14.3-170.8 -93.0 150.2 15.8 26.4 17.4 65 65 A I E -c 40 0A 3 -26,-2.2 -24,-3.1 -2,-0.2 2,-0.5 -0.997 8.0-154.2-139.4 135.3 17.1 24.5 20.4 66 66 A G E -c 41 0A 1 9,-0.4 12,-1.7 -2,-0.3 2,-0.5 -0.928 8.3-174.6-118.2 117.0 17.4 20.7 20.9 67 67 A I E -ce 42 78A 0 -26,-3.0 -24,-2.7 -2,-0.5 2,-0.7 -0.928 15.3-148.0-107.0 125.2 17.4 19.0 24.2 68 68 A H E +c 43 0A 18 10,-2.0 -24,-0.2 -2,-0.5 4,-0.1 -0.824 20.4 176.3 -95.9 116.3 18.0 15.2 24.2 69 69 A T S S+ 0 0 9 -26,-1.2 -1,-0.2 -2,-0.7 -25,-0.1 0.851 81.8 31.2 -78.2 -37.9 16.2 13.3 27.0 70 70 A G S S- 0 0 40 -27,-0.7 2,-0.1 1,-0.3 3,-0.1 0.419 123.0 -17.2 -88.1-132.6 17.6 10.0 25.5 71 71 A H S S- 0 0 181 1,-0.1 -1,-0.3 185,-0.0 -2,-0.1 -0.403 85.9 -79.9 -76.8 153.8 20.9 9.6 23.6 72 72 A L - 0 0 48 -3,-0.1 5,-0.2 -2,-0.1 2,-0.2 -0.227 52.1-163.1 -52.9 132.3 22.8 12.6 22.2 73 73 A G - 0 0 4 3,-2.3 -5,-0.1 -7,-0.1 -1,-0.1 -0.465 29.8-119.7-107.2-177.9 21.4 13.8 18.9 74 74 A F S S+ 0 0 16 -2,-0.2 3,-0.2 182,-0.0 -1,-0.1 0.725 118.2 21.7 -93.4 -25.8 22.8 16.0 16.1 75 75 A Y S S+ 0 0 6 1,-0.2 2,-1.3 -10,-0.1 -9,-0.4 0.720 123.5 57.2-102.9 -37.3 20.0 18.6 16.6 76 76 A A + 0 0 0 1,-0.2 -3,-2.3 -11,-0.1 -9,-0.2 -0.674 68.3 140.4 -92.4 79.9 19.1 17.6 20.1 77 77 A D + 0 0 33 -2,-1.3 2,-0.4 -11,-0.5 -10,-0.2 0.090 33.7 96.5-117.1 22.0 22.5 18.2 21.6 78 78 A W B S-e 67 0A 18 -12,-1.7 -10,-2.0 -3,-0.1 -5,-0.1 -0.945 71.3-125.4-109.7 132.8 21.8 19.8 24.9 79 79 A R > - 0 0 142 -2,-0.4 3,-2.2 -12,-0.2 4,-0.2 -0.486 19.2-120.6 -74.6 145.9 21.7 17.7 28.1 80 80 A P G > S+ 0 0 31 0, 0.0 3,-2.8 0, 0.0 4,-0.3 0.899 111.7 60.8 -49.4 -48.0 18.6 17.8 30.3 81 81 A A G 3 S+ 0 0 101 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.483 98.1 60.7 -65.7 -0.7 20.6 19.0 33.3 82 82 A E G <> S+ 0 0 28 -3,-2.2 4,-2.0 1,-0.1 -1,-0.3 0.371 77.4 94.2-102.5 1.3 21.5 22.1 31.3 83 83 A A H <> S+ 0 0 3 -3,-2.8 4,-2.4 2,-0.2 -2,-0.1 0.923 82.4 49.6 -59.7 -50.3 17.9 23.2 30.9 84 84 A D H > S+ 0 0 108 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.924 113.9 46.4 -56.4 -45.5 17.9 25.5 33.9 85 85 A K H > S+ 0 0 41 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.839 110.4 55.4 -63.8 -33.5 21.1 27.2 32.6 86 86 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.887 103.2 55.2 -65.3 -41.7 19.5 27.3 29.2 87 87 A V H X S+ 0 0 4 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.934 106.3 49.0 -58.8 -52.3 16.5 29.2 30.4 88 88 A K H >< S+ 0 0 116 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.941 112.9 47.4 -53.0 -51.9 18.5 32.0 32.0 89 89 A L H >< S+ 0 0 63 -4,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.845 106.7 56.4 -64.0 -36.8 20.6 32.6 28.9 90 90 A L H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.699 86.3 82.1 -65.8 -20.1 17.5 32.5 26.6 91 91 A A T << 0 0 36 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.540 360.0 360.0 -63.9 -5.0 16.1 35.4 28.7 92 92 A K < 0 0 182 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.1 -0.352 360.0 360.0-121.5 360.0 18.3 37.6 26.6 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 95 0, 0.0 2,-0.2 0, 0.0 150,-0.1 0.000 360.0 360.0 360.0 153.6 23.2 34.7 22.4 95 96 A Q E -F 243 0A 123 148,-1.0 148,-3.2 147,-0.0 2,-0.4 -0.525 360.0-134.1 -94.0 160.2 24.6 33.9 19.0 96 97 A K E -F 242 0A 131 146,-0.2 2,-0.4 -2,-0.2 146,-0.2 -0.936 10.4-163.2-119.7 136.1 22.9 32.1 16.0 97 98 A V E -F 241 0A 51 144,-2.0 144,-3.7 -2,-0.4 2,-0.3 -0.970 12.9-156.3-117.7 131.0 24.2 29.3 13.8 98 99 A S E -F 240 0A 39 -2,-0.4 142,-0.2 142,-0.2 -2,-0.0 -0.839 3.6-158.9-114.1 143.6 22.5 28.6 10.5 99 100 A Y E -F 239 0A 24 140,-2.2 140,-1.9 -2,-0.3 72,-0.1 -0.919 25.7-107.7-119.9 146.3 22.4 25.4 8.4 100 101 A P E -F 238 0A 1 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.265 33.1-149.3 -64.5 154.8 21.6 24.9 4.7 101 102 A L E - 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