==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-NOV-04 1Y3H . COMPND 2 MOLECULE: INORGANIC POLYPHOSPHATE/ATP-NAD KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.MORI,M.YAMASAKI,Y.MARUYAMA,K.MOMMA,S.KAWAI,W.HASHIMOTO, . 535 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 373 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 25.8 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 53 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 1 0 0 0 3 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 0 1 3 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 . 1 1 2 3 10 0 4 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 2 1 0 0 0 1 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 5 A R 0 0 117 0, 0.0 2,-0.5 0, 0.0 26,-0.5 0.000 360.0 360.0 360.0 59.8 39.5 109.1 57.6 2 6 A S - 0 0 21 36,-0.3 38,-2.2 24,-0.2 39,-0.5 -0.734 360.0-172.5 -91.6 125.5 37.1 111.1 59.8 3 7 A V E -a 28 0A 0 24,-1.2 26,-2.0 -2,-0.5 2,-0.7 -0.858 19.3-138.4-112.8 148.3 35.3 109.3 62.7 4 8 A L E -a 29 0A 6 37,-2.1 26,-0.2 -2,-0.3 24,-0.1 -0.718 21.2-161.7-110.5 84.8 32.5 110.7 64.9 5 9 A L E -a 30 0A 2 24,-1.6 26,-0.6 -2,-0.7 2,-0.3 -0.283 7.6-173.2 -63.0 145.6 33.2 109.8 68.5 6 10 A V E -ab 31 44A 2 37,-1.5 39,-2.4 24,-0.2 2,-0.3 -0.952 3.9-179.7-145.9 121.0 30.2 110.0 70.9 7 11 A V E - b 0 45A 11 24,-2.2 39,-0.2 -2,-0.3 37,-0.0 -0.915 29.4-122.1-122.6 148.9 30.4 109.5 74.7 8 12 A H 0 0 106 37,-1.5 -1,-0.2 -2,-0.3 38,-0.1 0.942 360.0 360.0 -51.7 -95.1 27.7 109.6 77.3 9 13 A T 0 0 117 23,-0.0 -2,-0.2 0, 0.0 37,-0.0 0.864 360.0 360.0 -82.5 360.0 28.5 112.3 79.9 10 ! 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 11 19 A T 0 0 58 0, 0.0 -4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 60.6 33.3 108.6 80.3 12 20 A E + 0 0 125 2,-0.1 4,-0.5 1,-0.1 3,-0.4 0.596 360.0 74.0-112.7 -15.9 37.0 109.2 80.7 13 21 A T S > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.1 5,-0.1 0.371 79.0 89.2 -79.2 8.1 38.5 106.5 78.4 14 22 A A H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.977 80.7 48.9 -67.0 -61.8 37.4 108.7 75.5 15 23 A R H > S+ 0 0 102 -3,-0.4 4,-1.1 1,-0.2 5,-0.2 0.831 108.8 59.0 -49.1 -34.8 40.5 110.9 75.2 16 24 A R H >> S+ 0 0 93 -4,-0.5 4,-2.9 2,-0.2 3,-1.0 0.986 111.0 37.9 -56.5 -63.6 42.5 107.7 75.2 17 25 A V H 3X S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.3 -2,-0.2 0.928 115.9 53.3 -52.9 -52.5 40.7 106.2 72.2 18 26 A E H 3X S+ 0 0 70 -4,-3.1 4,-0.5 1,-0.2 -1,-0.3 0.660 112.8 45.1 -62.1 -16.9 40.6 109.6 70.5 19 27 A K H <>S+ 0 0 3 -4,-2.2 5,-2.0 -5,-0.3 3,-0.8 0.830 104.9 51.4 -73.9 -36.2 43.0 107.3 66.8 22 30 A G H ><5S+ 0 0 39 -4,-0.5 3,-2.8 -3,-0.4 -2,-0.2 0.934 98.1 65.9 -66.7 -44.7 45.0 110.4 66.0 23 31 A D T 3<5S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.666 101.4 50.6 -51.3 -18.1 48.2 108.3 66.1 24 32 A N T < 5S- 0 0 82 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 -0.030 124.1-105.8-110.3 29.0 46.9 106.5 63.0 25 33 A K T < 5S+ 0 0 197 -3,-2.8 2,-0.7 1,-0.2 -3,-0.2 0.836 71.0 152.7 50.3 38.7 46.2 109.8 61.3 26 34 A I < - 0 0 4 -5,-2.0 -1,-0.2 -4,-0.1 -24,-0.2 -0.866 41.9-132.0-106.6 108.2 42.5 109.2 61.9 27 35 A A - 0 0 48 -2,-0.7 -24,-1.2 -26,-0.5 2,-0.3 0.027 26.6-164.0 -47.1 158.3 40.4 112.4 62.1 28 36 A L E -a 3 0A 46 -26,-0.2 2,-0.3 -24,-0.1 -24,-0.2 -0.947 18.7-174.9-159.5 133.1 38.0 112.6 65.0 29 37 A R E -a 4 0A 101 -26,-2.0 -24,-1.6 -2,-0.3 2,-0.3 -0.821 20.2-144.7-117.8 158.1 35.0 114.7 66.1 30 38 A V E +a 5 0A 72 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.966 20.6 164.0-133.1 150.0 33.3 114.4 69.6 31 39 A L E a 6 0A 36 -26,-0.6 -24,-2.2 -2,-0.3 -2,-0.0 -0.915 360.0 360.0-150.5 174.8 29.8 114.6 70.9 32 40 A S 0 0 102 -2,-0.3 -24,-0.2 -26,-0.2 -26,-0.1 -0.670 360.0 360.0-120.0 360.0 27.4 113.9 73.9 33 ! 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 34 71 A H 0 0 157 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 43.5 22.9 117.7 64.3 35 72 A A - 0 0 64 1,-0.1 2,-1.6 25,-0.0 22,-0.1 -0.143 360.0-176.7 -44.1 89.2 24.2 116.2 61.1 36 73 A A + 0 0 18 -2,-0.6 3,-0.4 -32,-0.1 -1,-0.1 -0.536 30.5 162.4 -90.3 69.1 27.8 115.1 61.9 37 74 A D + 0 0 80 -2,-1.6 2,-1.3 1,-0.2 3,-0.1 0.251 36.6 55.2 -73.4-164.9 28.4 114.0 58.3 38 75 A G S S+ 0 0 70 1,-0.1 -36,-0.3 23,-0.1 -1,-0.2 0.081 80.8 121.2 64.4 -26.6 31.5 113.3 56.3 39 76 A C - 0 0 16 -2,-1.3 -36,-0.3 -3,-0.4 -1,-0.1 0.279 58.4-141.9 -56.6-173.5 32.8 110.7 58.8 40 77 A E S S+ 0 0 34 -38,-2.2 2,-0.3 1,-0.5 -37,-0.2 0.646 77.0 4.0-121.1 -43.7 33.6 107.0 58.3 41 78 A L - 0 0 0 -39,-0.5 -37,-2.1 22,-0.1 -1,-0.5 -0.863 61.5-131.9-139.4 170.8 32.3 105.3 61.4 42 79 A V E - c 0 65A 1 22,-0.5 24,-1.4 -2,-0.3 2,-0.3 -0.724 21.8-168.6-133.9 86.2 30.5 106.3 64.6 43 80 A L E - c 0 66A 8 -2,-0.3 -37,-1.5 22,-0.2 2,-0.4 -0.550 8.1-173.2 -75.6 134.6 32.2 105.0 67.7 44 81 A V E -bc 6 67A 2 22,-2.0 24,-2.3 -2,-0.3 2,-0.5 -0.995 13.7-163.2-134.2 131.0 30.1 105.3 70.9 45 82 A L E +bc 7 68A 2 -39,-2.4 -37,-1.5 -2,-0.4 2,-0.3 -0.962 56.4 46.5-113.3 122.8 31.0 104.7 74.5 46 83 A G E S- c 0 69A 5 22,-3.3 24,-1.1 -2,-0.5 2,-0.2 -0.980 84.5 -28.4 157.4-142.0 28.1 104.3 76.9 47 84 A G >> - 0 0 28 -2,-0.3 4,-2.9 22,-0.2 3,-1.1 -0.517 59.1 -94.6-109.9 177.9 24.7 102.6 77.4 48 85 A D H 3> S+ 0 0 43 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.856 126.4 55.5 -62.1 -33.4 21.9 101.4 75.2 49 86 A G H 3> S+ 0 0 58 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.737 112.1 46.1 -69.2 -18.7 20.1 104.7 75.6 50 87 A T H <> S+ 0 0 19 -3,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.885 106.8 55.6 -85.8 -45.7 23.4 106.2 74.3 51 88 A F H X S+ 0 0 5 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.931 106.2 53.4 -50.7 -51.2 23.7 103.7 71.5 52 89 A L H X S+ 0 0 20 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.921 108.9 47.8 -52.2 -49.8 20.3 104.8 70.3 53 90 A R H >X S+ 0 0 59 -4,-0.9 4,-0.6 1,-0.2 3,-0.6 0.971 113.0 48.1 -56.7 -55.6 21.2 108.5 70.3 54 91 A A H >X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.3 3,-1.2 0.864 110.1 52.5 -52.2 -42.0 24.5 107.7 68.4 55 92 A A H 3X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.3 -1,-0.3 0.854 97.8 65.1 -63.6 -36.4 22.5 105.6 65.9 56 93 A E H S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 5,-1.4 0.880 103.9 60.9 -56.0 -45.5 24.7 107.4 61.8 59 96 A R H ><5S+ 0 0 54 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.959 107.6 45.5 -44.0 -62.3 21.3 106.6 60.2 60 97 A N H 3<5S+ 0 0 96 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.910 116.1 43.8 -47.0 -57.7 21.3 110.1 58.7 61 98 A A H 3<5S- 0 0 27 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.596 107.5-127.1 -68.8 -13.0 24.9 110.1 57.5 62 99 A S T <<5 + 0 0 73 -4,-1.7 -3,-0.2 -3,-1.1 -2,-0.1 0.978 64.4 126.0 63.0 56.5 24.5 106.5 56.2 63 100 A I < - 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