==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-NOV-04 1Y3I . 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,B.M . 462 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 29.4 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 . 6 1.3 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 . 62 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 2 0 0 0 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 5 4 2 4 0 1 0 0 0 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 2 0 0 0 0 0 1 1 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 7 A V 0 0 125 0, 0.0 2,-0.2 0, 0.0 8,-0.2 0.000 360.0 360.0 360.0 94.8 34.4 30.6 -22.7 2 8 A L E -a 9 0A 84 6,-1.2 8,-3.9 19,-0.0 2,-0.4 -0.653 360.0-139.9-102.7 151.9 35.0 27.4 -24.7 3 9 A L E +a 10 0A 114 -2,-0.2 2,-0.3 6,-0.2 8,-0.3 -0.915 17.6 179.7-115.1 132.0 33.4 23.9 -24.5 4 10 A V E -a 11 0A 19 6,-2.0 8,-3.3 -2,-0.4 2,-0.3 -0.949 7.5-169.8-126.0 145.5 35.3 20.6 -24.9 5 11 A V E a 12 0A 88 -2,-0.3 8,-0.3 6,-0.3 -2,-0.0 -0.998 360.0 360.0-147.3 144.0 33.9 17.1 -24.7 6 12 A H 0 0 138 6,-0.8 7,-0.1 -2,-0.3 11,-0.0 -0.239 360.0 360.0 -60.0 360.0 35.0 13.5 -24.5 7 ! 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 8 78 A L 0 0 12 0, 0.0 -6,-1.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 147.0 36.2 30.4 -19.4 9 79 A V E +ab 2 32A 1 22,-2.0 24,-1.3 -8,-0.2 2,-0.4 -0.811 360.0 175.4 -99.0 127.2 37.1 26.8 -20.2 10 80 A L E -a 3 0A 21 -8,-3.9 -6,-2.0 -2,-0.6 2,-0.4 -0.955 3.4-179.1-125.9 145.7 34.3 24.2 -19.9 11 81 A V E -a 4 0A 5 22,-0.4 24,-2.1 -2,-0.4 2,-0.4 -1.000 22.3-161.1-144.1 143.1 34.4 20.5 -20.8 12 82 A L E S+ac 5 35A 45 -8,-3.3 -6,-0.8 -2,-0.4 24,-0.1 -0.730 70.5 65.0-122.0 81.2 32.0 17.6 -20.7 13 83 A G E S- c 0 36A 2 22,-0.7 24,-0.9 -2,-0.4 2,-0.2 -0.337 81.4 -72.2-153.0-122.2 34.3 14.6 -20.8 14 84 A G >> - 0 0 10 22,-0.2 3,-3.3 -2,-0.1 4,-2.0 -0.783 59.3 -60.0-147.0-173.4 36.9 13.1 -18.5 15 85 A D H 3> S+ 0 0 45 1,-0.3 4,-2.0 -2,-0.2 5,-0.1 0.811 133.5 47.1 -46.5 -40.0 40.4 13.4 -17.0 16 86 A G H 3> S+ 0 0 31 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.544 108.2 57.1 -82.3 -5.8 41.9 13.3 -20.5 17 87 A T H <> S+ 0 0 6 -3,-3.3 4,-4.4 2,-0.2 -2,-0.2 0.782 108.2 45.0 -91.4 -35.1 39.4 15.9 -21.7 18 88 A F H X>S+ 0 0 9 -4,-2.0 4,-2.1 2,-0.2 5,-0.8 0.935 113.2 50.7 -64.7 -51.6 40.5 18.4 -19.1 19 89 A L H <5S+ 0 0 12 -4,-2.0 4,-0.2 -5,-0.3 -2,-0.2 0.849 118.9 39.6 -58.9 -30.1 44.1 17.6 -19.9 20 90 A R H X5S+ 0 0 124 -4,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.947 123.4 38.9 -76.5 -58.6 43.0 18.2 -23.5 21 91 A A H >X5S+ 0 0 0 -4,-4.4 4,-1.8 1,-0.2 3,-1.1 0.989 119.8 45.1 -51.7 -72.5 40.8 21.1 -22.8 22 92 A A H 3X5S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.764 104.4 70.1 -42.8 -32.9 43.1 22.6 -20.1 23 93 A E H 3>S+ 0 0 1 -4,-1.8 5,-0.7 1,-0.3 -1,-0.2 0.841 94.2 76.0 -52.9 -34.6 43.5 27.0 -22.4 26 96 A R H ><5S+ 0 0 112 -4,-1.9 3,-0.7 -5,-0.3 -1,-0.3 0.862 101.3 37.6 -45.1 -46.6 47.0 26.6 -21.0 27 97 A N H <<5S+ 0 0 127 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.832 112.2 59.8 -75.6 -31.3 48.4 28.9 -23.7 28 98 A A T 3<5S- 0 0 61 -4,-1.3 2,-0.7 2,-0.1 -1,-0.2 0.033 100.4-134.0 -87.4 22.0 45.3 31.1 -23.6 29 99 A S T < 5 + 0 0 98 -3,-0.7 -3,-0.2 1,-0.1 -4,-0.1 0.281 61.1 132.5 45.5 0.8 45.9 32.0 -19.9 30 100 A I < - 0 0 47 -2,-0.7 180,-0.1 -5,-0.7 -2,-0.1 -0.723 62.9-104.9 -96.6 114.1 42.2 31.4 -19.1 31 101 A P - 0 0 31 0, 0.0 -22,-2.0 0, 0.0 2,-0.3 0.109 31.4-130.1 -32.1 130.8 41.2 29.2 -16.1 32 102 A V B +bd 9 211A 0 178,-2.2 180,-2.1 -24,-0.2 2,-0.3 -0.625 28.5 171.8 -88.3 146.2 39.9 25.7 -16.7 33 103 A L + 0 0 3 -24,-1.3 -22,-0.4 -2,-0.3 2,-0.3 -0.981 9.7 172.9-150.7 143.6 36.7 24.3 -15.2 34 104 A G - 0 0 7 -2,-0.3 12,-1.9 178,-0.2 2,-0.5 -0.990 30.7-127.6-159.9 165.4 34.9 21.0 -15.9 35 105 A V E -ce 12 46A 11 -24,-2.1 -22,-0.7 -2,-0.3 12,-0.3 -0.936 31.6-125.5-116.0 123.4 32.2 18.4 -15.3 36 106 A N E -c 13 0A 2 10,-2.6 2,-0.6 -2,-0.5 -22,-0.2 -0.311 21.1-131.4 -61.7 150.6 33.0 14.7 -14.9 37 107 A L - 0 0 69 -24,-0.9 2,-2.2 2,-0.5 -1,-0.1 -0.614 48.6 -81.4-113.9 71.6 31.2 12.4 -17.2 38 108 A G S S+ 0 0 50 -2,-0.6 2,-0.5 3,-0.1 3,-0.1 -0.415 112.0 82.3 76.2 -67.5 29.6 9.5 -15.3 39 109 A R S S- 0 0 168 -2,-2.2 -2,-0.5 1,-0.1 9,-0.0 -0.673 106.7 -76.8 -73.2 121.6 32.7 7.4 -15.0 40 110 A I + 0 0 62 -2,-0.5 2,-0.3 -4,-0.1 -25,-0.2 0.295 55.6 176.1 -25.0 125.0 35.0 8.6 -12.2 41 111 A G - 0 0 1 1,-0.1 3,-0.2 -3,-0.1 -5,-0.2 -0.981 15.8-160.7-142.3 124.8 37.0 11.7 -12.9 42 112 A F S S+ 0 0 17 -2,-0.3 -1,-0.1 1,-0.2 184,-0.1 0.959 81.7 47.5 -75.7 -57.5 39.1 13.4 -10.2 43 113 A L S S+ 0 0 8 -8,-0.1 2,-0.8 2,-0.0 -9,-0.2 0.451 80.1 112.4 -71.0 -7.5 39.8 17.0 -11.3 44 114 A A - 0 0 11 -3,-0.2 -9,-0.1 1,-0.2 -3,-0.1 -0.618 48.1-167.2 -76.4 110.7 36.2 17.8 -12.2 45 115 A E S S+ 0 0 38 -2,-0.8 2,-0.3 -11,-0.2 170,-0.2 0.681 81.2 41.6 -66.6 -19.1 34.9 20.4 -9.6 46 116 A A B S-e 35 0A 11 -12,-1.9 -10,-2.6 -3,-0.1 2,-0.2 -0.958 82.0-140.1-132.6 153.2 31.5 19.6 -11.0 47 117 A E - 0 0 34 -2,-0.3 7,-0.1 -12,-0.3 -10,-0.1 -0.565 29.4-103.0-114.1 171.3 29.9 16.3 -12.0 48 118 A A S S+ 0 0 35 1,-0.2 -11,-0.1 -2,-0.2 -13,-0.0 0.183 115.3 56.5 -75.2 17.3 27.7 14.8 -14.7 49 119 A E S S+ 0 0 126 2,-0.0 3,-0.2 1,-0.0 -1,-0.2 0.750 113.4 28.8-115.4 -50.8 24.8 14.8 -12.3 50 120 A A S > S+ 0 0 65 1,-0.2 4,-0.7 -3,-0.1 -3,-0.1 -0.446 82.1 131.5-110.5 55.7 24.4 18.4 -11.1 51 121 A I H >> + 0 0 64 -2,-0.2 4,-1.0 2,-0.2 3,-0.8 0.930 63.0 55.0 -69.2 -56.6 25.8 19.9 -14.3 52 122 A D H 34 S+ 0 0 114 1,-0.3 3,-0.5 -3,-0.2 4,-0.4 0.907 103.0 55.9 -47.0 -55.8 23.1 22.5 -15.0 53 123 A A H >4 S+ 0 0 63 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.834 99.3 64.2 -50.0 -37.4 23.5 24.2 -11.6 54 124 A V H XX S+ 0 0 15 -3,-0.8 3,-2.7 -4,-0.7 4,-0.5 0.935 83.2 76.5 -45.2 -63.4 27.2 24.6 -12.4 55 125 A L H >X S+ 0 0 82 -4,-1.0 4,-2.1 -3,-0.5 3,-1.4 0.574 81.2 68.3 -15.0 -52.8 26.4 27.0 -15.3 56 126 A E H <>>S+ 0 0 103 -3,-1.0 4,-4.6 -4,-0.4 5,-0.7 0.914 97.7 51.4 -44.1 -54.9 25.7 29.9 -12.9 57 127 A H H <4>S+ 0 0 44 -3,-2.7 5,-1.0 -4,-0.4 -1,-0.3 0.787 112.7 47.6 -56.8 -26.5 29.3 30.0 -11.9 58 128 A V H <<5S+ 0 0 35 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.3 0.768 119.0 38.9 -84.8 -26.5 30.1 30.1 -15.7 59 129 A V H <5S+ 0 0 103 -4,-2.1 -2,-0.2 -3,-0.4 -3,-0.2 0.890 128.5 30.8 -88.9 -43.2 27.5 32.8 -16.3 60 130 A A T <5S- 0 0 47 -4,-4.6 -3,-0.2 -5,-0.2 -2,-0.1 0.571 107.2-128.3 -87.5 -9.5 28.0 34.9 -13.2 61 131 A Q T < + 0 0 99 -5,-0.7 2,-0.6 -6,-0.3 -3,-0.2 0.981 45.1 169.3 59.8 61.3 31.7 33.8 -13.3 62 132 A D < + 0 0 53 -5,-1.0 2,-0.3 -6,-0.1 -1,-0.2 -0.909 28.6 75.0-114.2 105.5 31.7 32.7 -9.7 63 133 A Y - 0 0 54 -2,-0.6 2,-0.3 -5,-0.0 151,-0.2 -0.944 63.9-111.0 178.0-176.4 34.8 30.7 -8.6 64 134 A R B -F 213 0B 180 149,-1.1 149,-2.7 -2,-0.3 2,-0.5 -0.968 14.8-132.2-143.4 162.6 38.4 31.2 -7.7 65 135 A V - 0 0 73 -2,-0.3 2,-0.4 147,-0.2 147,-0.1 -0.951 13.3-175.0-124.7 117.0 41.9 30.5 -9.1 66 136 A E - 0 0 77 -2,-0.5 2,-1.7 145,-0.2 145,-0.6 -0.851 35.0-119.7-100.2 141.3 44.9 29.0 -7.3 67 137 A D E -G 210 0C 112 -2,-0.4 143,-0.2 143,-0.1 141,-0.1 -0.585 33.4-153.6 -85.1 80.9 48.2 28.8 -9.3 68 138 A R E -G 209 0C 5 -2,-1.7 141,-1.1 141,-0.5 78,-0.1 -0.292 26.9-102.7 -51.3 128.5 48.7 25.1 -9.2 69 139 A L E - 0 0 0 76,-0.9 58,-0.3 74,-0.3 2,-0.3 -0.357 47.2-176.5 -56.5 128.6 52.3 24.2 -9.5 70 140 A T E -G 205 0C 3 135,-0.5 135,-3.1 -3,-0.1 2,-0.4 -0.859 15.9-125.8-122.0 164.6 53.0 22.9 -13.0 71 141 A L E -GH 204 87C 0 16,-1.1 16,-1.2 -2,-0.3 2,-0.4 -0.888 6.8-150.7-121.7 147.6 56.2 21.6 -14.4 72 142 A D E -GH 203 86C 43 131,-1.4 131,-1.2 -2,-0.4 2,-0.4 -0.913 18.8-172.2-109.0 130.7 58.4 22.4 -17.4 73 143 A V E +GH 202 85C 0 12,-4.6 12,-3.5 -2,-0.4 2,-0.3 -0.974 10.2 172.2-128.0 140.7 60.5 19.7 -19.0 74 144 A V E -GH 201 84C 9 127,-1.3 127,-0.8 -2,-0.4 2,-0.4 -0.993 24.5-138.7-138.8 143.7 63.1 19.7 -21.7 75 145 A V E -GH 200 83C 1 8,-1.5 7,-2.5 -2,-0.3 8,-0.9 -0.861 29.6-177.7 -95.8 134.5 65.4 16.9 -23.0 76 146 A R E -GH 199 81C 61 123,-1.6 123,-1.1 -2,-0.4 2,-0.7 -0.988 28.0-151.9-135.4 142.6 69.0 18.1 -23.6 77 147 A Q S S- 0 0 75 3,-1.6 3,-0.4 -2,-0.3 121,-0.1 -0.840 82.2 -41.7-113.0 91.7 72.2 16.5 -24.9 78 148 A G S S- 0 0 68 -2,-0.7 -1,-0.2 1,-0.2 120,-0.0 0.952 127.5 -23.5 48.9 94.6 74.9 18.5 -23.2 79 149 A G S S+ 0 0 61 1,-0.1 2,-0.9 -3,-0.1 -1,-0.2 0.257 114.3 108.4 65.1 -11.4 73.8 22.2 -23.4 80 150 A R - 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