==== 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 HYDROLASE 20-MAR-07 2P79 . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,M.TAKETA,Y.KAGEYAMA,Y.MATSUURA,N.KUNISHIMA,RIKEN . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 8.8 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 2 0 0 1 3 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 . 2 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 80 0, 0.0 159,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 121.5 33.4 7.2 9.1 2 2 A E E +A 159 0A 82 157,-0.2 126,-1.0 155,-0.1 2,-0.4 -0.557 360.0 173.6 -68.7 120.2 31.0 9.5 7.2 3 3 A L E -Ab 158 128A 1 155,-2.4 155,-2.5 -2,-0.5 2,-0.6 -0.995 22.8-151.8-130.9 131.8 30.3 12.5 9.4 4 4 A W E -Ab 157 129A 35 124,-2.6 126,-3.9 -2,-0.4 2,-0.5 -0.911 13.1-163.5-104.8 118.7 28.3 15.6 8.5 5 5 A L E -Ab 156 130A 1 151,-3.1 151,-2.2 -2,-0.6 2,-0.5 -0.901 3.2-163.2-105.0 128.0 29.3 18.7 10.4 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.0 -2,-0.5 2,-0.6 -0.927 12.5-143.9-113.7 127.4 27.0 21.6 10.4 7 7 A R E - b 0 132A 57 147,-2.7 146,-1.3 -2,-0.5 126,-0.2 -0.788 35.3-113.4 -87.1 126.2 28.0 25.2 11.4 8 8 A H - 0 0 14 124,-2.0 145,-1.2 -2,-0.6 146,-0.2 -0.054 37.7 -88.1 -55.8 159.1 25.1 26.8 13.3 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.1 -0.163 59.8 -75.0 -63.9 165.2 23.2 29.7 11.7 10 10 A E - 0 0 25 142,-0.1 18,-2.2 20,-0.1 2,-0.2 -0.165 41.0-165.9 -66.2 153.8 24.4 33.2 12.4 11 11 A T >> - 0 0 2 16,-0.2 3,-1.4 -3,-0.1 4,-0.7 -0.680 45.1 -88.1-123.6 178.7 24.0 35.2 15.6 12 12 A L H 3> S+ 0 0 92 14,-0.5 4,-1.5 1,-0.3 3,-0.3 0.838 122.6 63.1 -62.4 -32.2 24.5 39.0 16.1 13 13 A W H 3>>S+ 0 0 49 1,-0.2 5,-1.9 2,-0.2 4,-1.2 0.618 89.2 68.8 -71.0 -10.9 28.2 38.5 16.8 14 14 A N H <45S+ 0 0 68 -3,-1.4 3,-0.4 2,-0.2 -1,-0.2 0.968 107.3 36.9 -69.5 -52.1 28.9 37.1 13.3 15 15 A R H <5S+ 0 0 158 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.844 118.7 52.3 -67.1 -33.2 28.2 40.5 11.7 16 16 A E H <5S- 0 0 87 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.678 104.9-131.0 -76.8 -19.7 29.8 42.3 14.6 17 17 A G T <5 + 0 0 33 -4,-1.2 68,-2.8 -3,-0.4 2,-0.4 0.887 51.2 150.1 71.4 40.2 33.0 40.2 14.4 18 18 A R B < -F 84 0B 81 -5,-1.9 2,-0.4 66,-0.3 66,-0.3 -0.835 57.1-100.5-106.5 144.0 33.2 39.3 18.1 19 19 A L - 0 0 18 64,-3.0 63,-2.8 -2,-0.4 2,-0.7 -0.474 40.6-164.1 -63.2 117.0 34.7 36.0 19.5 20 20 A L + 0 0 24 -2,-0.4 55,-0.1 61,-0.2 -1,-0.1 -0.900 30.3 134.5-110.9 105.5 31.7 33.8 20.2 21 21 A G S S- 0 0 0 -2,-0.7 53,-0.3 57,-0.1 55,-0.2 0.539 78.7 -14.2-112.3-101.3 32.5 30.9 22.4 22 22 A W S S+ 0 0 89 51,-0.1 2,-0.4 2,-0.1 54,-0.1 0.449 94.8 119.2 -89.8 -0.2 30.4 29.7 25.3 23 23 A T - 0 0 46 1,-0.1 2,-1.8 29,-0.1 59,-0.1 -0.551 69.8-131.5 -64.7 120.4 28.4 33.0 25.4 24 24 A D + 0 0 81 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.435 39.3 168.2 -82.7 71.3 24.9 31.6 24.8 25 25 A L - 0 0 34 -2,-1.8 29,-0.7 1,-0.1 2,-0.1 -0.477 29.7-124.8 -82.1 151.8 23.6 33.8 22.0 26 26 A P - 0 0 75 0, 0.0 -14,-0.5 0, 0.0 28,-0.1 -0.477 32.9 -93.9 -90.0 163.3 20.4 33.1 20.1 27 27 A L - 0 0 18 -2,-0.1 -16,-0.2 -16,-0.1 2,-0.1 -0.345 37.9-121.9 -71.9 158.9 20.2 32.8 16.3 28 28 A T > - 0 0 18 -18,-2.2 4,-2.2 1,-0.1 5,-0.2 -0.401 34.7 -95.7 -90.6 176.2 19.2 35.9 14.3 29 29 A A H > S+ 0 0 87 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.932 131.4 45.9 -58.4 -45.2 16.1 35.9 12.0 30 30 A E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 108.3 58.0 -65.2 -36.3 18.5 35.1 9.1 31 31 A G H > S+ 0 0 0 -21,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.897 106.8 46.4 -61.0 -41.4 20.2 32.5 11.2 32 32 A E H X S+ 0 0 54 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.862 110.4 54.4 -68.4 -34.9 16.9 30.6 11.7 33 33 A A H X S+ 0 0 19 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.892 106.6 51.5 -64.7 -39.6 16.2 31.0 8.0 34 34 A Q H X S+ 0 0 31 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.903 109.0 50.9 -64.2 -40.7 19.6 29.3 7.3 35 35 A A H >X S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 4,-0.6 0.921 107.5 52.5 -63.4 -45.1 18.8 26.5 9.6 36 36 A R H >< S+ 0 0 129 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.888 103.1 58.2 -59.0 -40.5 15.4 25.9 7.9 37 37 A R H 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.772 97.0 63.4 -61.6 -25.1 17.1 25.7 4.5 38 38 A L H XX S+ 0 0 1 -3,-0.9 3,-2.3 -4,-0.8 4,-1.1 0.759 78.4 102.2 -71.1 -24.1 19.2 22.8 5.9 39 39 A K T << S+ 0 0 141 -3,-1.4 24,-0.1 -4,-0.6 23,-0.1 -0.428 93.3 13.7 -62.9 125.6 16.1 20.7 6.3 40 40 A G T 34 S+ 0 0 83 22,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.363 115.9 77.8 89.5 -6.9 15.9 18.2 3.5 41 41 A A T <4 S+ 0 0 35 -3,-2.3 -2,-0.2 21,-0.1 -3,-0.1 0.564 82.9 70.3-106.9 -16.5 19.5 18.9 2.5 42 42 A L S < S- 0 0 14 -4,-1.1 -2,-0.3 20,-0.2 87,-0.0 -0.776 91.5-102.8-102.6 147.8 21.1 16.8 5.3 43 43 A P - 0 0 35 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.294 33.3-107.9 -67.6 151.8 21.1 13.0 5.4 44 44 A S S S+ 0 0 125 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.642 70.6 133.5 -82.2 87.5 18.7 11.2 7.7 45 45 A L - 0 0 49 -2,-1.6 83,-0.2 1,-0.1 84,-0.1 -0.861 67.3 -73.6-131.7 164.5 21.2 10.0 10.2 46 46 A P - 0 0 83 0, 0.0 83,-2.4 0, 0.0 2,-0.4 -0.314 58.5-142.6 -56.8 144.8 21.5 9.9 14.0 47 47 A A E -c 129 0A 12 18,-0.3 20,-2.1 81,-0.2 2,-0.3 -0.900 22.4-176.7-122.1 148.0 22.2 13.4 15.2 48 48 A F E -cd 130 67A 37 81,-2.5 83,-3.1 -2,-0.4 2,-0.3 -0.934 11.9-173.7-133.1 154.4 24.3 15.0 17.9 49 49 A S E -cd 131 68A 0 18,-1.9 20,-2.7 -2,-0.3 23,-0.2 -0.999 32.9-102.0-154.1 153.7 24.7 18.6 18.9 50 50 A S - 0 0 0 81,-2.0 6,-0.1 -2,-0.3 21,-0.0 -0.412 37.7-128.8 -63.8 149.6 26.4 21.2 21.0 51 51 A D S S+ 0 0 43 18,-0.3 -1,-0.1 4,-0.1 2,-0.1 0.519 74.1 113.3 -84.7 -3.0 24.2 22.0 23.9 52 52 A L S >> S- 0 0 5 1,-0.1 4,-2.4 4,-0.0 3,-1.0 -0.440 79.2-114.9 -69.8 142.5 24.5 25.7 23.3 53 53 A L H 3> S+ 0 0 52 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.842 110.6 53.5 -43.5 -54.0 21.3 27.4 22.1 54 54 A R H 3> S+ 0 0 0 -29,-0.7 4,-1.2 1,-0.2 -45,-0.4 0.834 113.7 43.6 -57.6 -34.1 22.3 28.4 18.6 55 55 A A H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.943 114.3 48.3 -76.7 -48.4 23.4 24.9 17.8 56 56 A R H X S+ 0 0 86 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 112.7 49.4 -56.2 -45.2 20.3 23.2 19.4 57 57 A R H X S+ 0 0 63 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.868 108.7 52.3 -63.7 -38.8 18.0 25.6 17.6 58 58 A T H X S+ 0 0 0 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.937 110.1 49.1 -62.8 -44.8 19.8 25.0 14.2 59 59 A A H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-0.3 0.904 111.7 49.6 -60.2 -43.2 19.3 21.2 14.7 60 60 A E H ><5S+ 0 0 116 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.957 112.8 44.7 -60.8 -54.2 15.6 21.7 15.6 61 61 A L H 3<5S+ 0 0 24 -4,-2.6 -22,-0.3 1,-0.3 -1,-0.2 0.707 108.1 59.9 -64.9 -21.2 14.9 23.9 12.5 62 62 A A T 3<5S- 0 0 2 -4,-1.5 -22,-0.4 -5,-0.2 -1,-0.3 0.496 124.7-103.3 -84.6 -5.1 16.9 21.5 10.4 63 63 A G T < 5S+ 0 0 44 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.701 78.2 123.2 92.9 23.3 14.5 18.7 11.4 64 64 A F < - 0 0 33 -5,-2.7 -1,-0.3 -6,-0.1 -2,-0.1 -0.765 51.7-153.2-118.3 162.7 16.5 16.8 13.9 65 65 A S - 0 0 126 -2,-0.3 -18,-0.3 2,-0.0 -5,-0.0 -0.755 35.7-172.8-129.9 76.2 16.3 15.7 17.6 66 66 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -18,-0.3 -0.297 28.1-115.4 -77.8 154.0 19.9 15.4 18.5 67 67 A R E -d 48 0A 165 -20,-2.1 -18,-1.9 -2,-0.0 2,-0.3 -0.791 40.4-120.7 -84.4 130.2 21.5 14.1 21.6 68 68 A L E +d 49 0A 83 -2,-0.5 -18,-0.2 -20,-0.2 -17,-0.1 -0.552 34.5 173.9 -81.7 137.2 23.3 17.0 23.4 69 69 A Y > - 0 0 56 -20,-2.7 3,-1.9 -2,-0.3 -18,-0.3 -0.965 27.0-155.2-140.8 118.8 27.0 16.8 24.1 70 70 A P G > S+ 0 0 68 0, 0.0 3,-2.1 0, 0.0 -20,-0.1 0.738 91.8 77.7 -64.6 -19.1 29.0 19.8 25.5 71 71 A E G 3 S+ 0 0 74 1,-0.3 49,-0.1 -22,-0.1 -21,-0.1 0.716 87.6 58.7 -62.1 -19.2 32.0 18.2 23.8 72 72 A L G < S+ 0 0 1 -3,-1.9 61,-0.4 -23,-0.2 -22,-0.3 0.326 83.4 120.0 -92.0 7.0 30.7 19.7 20.6 73 73 A R S < S- 0 0 50 -3,-2.1 3,-0.1 -24,-0.1 -51,-0.1 -0.304 72.8 -99.7 -70.8 157.9 30.8 23.2 21.9 74 74 A E - 0 0 20 -53,-0.3 -1,-0.1 1,-0.2 -53,-0.1 -0.202 59.7 -74.7 -64.6 165.2 32.9 26.0 20.4 75 75 A I - 0 0 5 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.345 49.0-113.3 -63.9 147.6 36.2 26.7 22.2 76 76 A H - 0 0 47 -55,-0.2 32,-2.8 1,-0.1 -1,-0.1 -0.775 26.9-167.1 -86.5 109.5 35.8 28.5 25.5 77 77 A F > - 0 0 15 -2,-0.8 3,-2.3 1,-0.2 30,-0.2 0.527 17.2-167.1 -76.0 -5.3 37.4 31.9 24.9 78 78 A G G > S+ 0 0 12 28,-0.3 3,-2.2 1,-0.3 28,-0.2 -0.298 71.7 2.0 57.1-130.5 37.4 32.8 28.6 79 79 A A G 3 S+ 0 0 78 26,-2.9 -1,-0.3 1,-0.3 27,-0.1 0.677 130.8 64.9 -62.5 -16.6 38.1 36.5 29.2 80 80 A L G X S+ 0 0 23 -3,-2.3 3,-2.2 25,-0.3 -1,-0.3 0.454 70.7 125.0 -86.2 -0.5 38.3 36.9 25.4 81 81 A E T < S+ 0 0 38 -3,-2.2 -61,-0.2 1,-0.3 3,-0.1 -0.394 82.1 12.6 -58.3 131.6 34.6 36.0 25.1 82 82 A G T 3 S+ 0 0 12 -63,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.351 91.4 144.1 83.0 -6.9 32.9 38.9 23.2 83 83 A A < - 0 0 25 -3,-2.2 -64,-3.0 -64,-0.2 2,-0.3 -0.433 55.2-116.6 -68.7 136.8 36.2 40.5 22.2 84 84 A M B >> -F 18 0B 54 -66,-0.3 4,-0.6 1,-0.2 3,-0.5 -0.578 15.3-134.7 -73.0 133.7 36.2 42.1 18.7 85 85 A W G >4 S+ 0 0 93 -68,-2.8 3,-2.0 -2,-0.3 -1,-0.2 0.934 104.0 61.4 -51.3 -49.2 38.6 40.3 16.4 86 86 A E G 34 S+ 0 0 143 -69,-0.3 -1,-0.2 1,-0.3 -68,-0.1 0.840 107.4 41.3 -44.0 -48.2 39.8 43.7 15.3 87 87 A T G <4 S+ 0 0 89 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.405 85.8 126.4 -86.9 1.5 41.0 44.8 18.8 88 88 A L S << S- 0 0 8 -3,-2.0 5,-0.1 -4,-0.6 -3,-0.0 -0.373 72.4-101.3 -64.5 134.2 42.5 41.4 19.6 89 89 A D >> - 0 0 78 1,-0.1 4,-2.3 -2,-0.1 3,-1.2 -0.264 32.4-115.6 -54.3 138.6 46.2 41.6 20.7 90 90 A P H 3> S+ 0 0 98 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.823 115.1 58.1 -45.7 -40.0 48.5 40.5 17.8 91 91 A R H 3> S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.887 110.4 43.0 -61.2 -39.6 49.7 37.5 19.8 92 92 A Y H <> S+ 0 0 29 -3,-1.2 4,-2.4 2,-0.2 5,-0.2 0.894 111.6 53.4 -73.5 -41.7 46.1 36.2 20.0 93 93 A K H X S+ 0 0 51 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.947 112.3 45.8 -56.7 -49.1 45.3 37.0 16.4 94 94 A E H X S+ 0 0 121 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.910 110.0 53.2 -60.8 -45.8 48.3 35.1 15.2 95 95 A A H <>S+ 0 0 9 -4,-1.9 5,-2.2 -5,-0.2 4,-0.5 0.908 114.2 42.7 -58.1 -42.5 47.5 32.1 17.5 96 96 A L H <5S+ 0 0 12 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.881 114.3 50.8 -72.5 -37.3 44.0 31.9 16.1 97 97 A L H <5S+ 0 0 103 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.951 119.5 35.2 -64.3 -49.0 45.1 32.4 12.5 98 98 A R T <5S- 0 0 96 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.499 107.6-131.1 -83.2 -3.6 47.8 29.7 12.7 99 99 A F T 5 + 0 0 15 -4,-0.5 2,-0.3 -5,-0.3 -3,-0.2 0.913 68.8 99.1 54.4 51.9 45.5 27.7 15.0 100 100 A Q < + 0 0 42 -5,-2.2 -2,-0.2 -6,-0.2 -1,-0.2 -0.987 63.8 23.2-162.1 154.0 48.2 27.0 17.6 101 101 A G S S+ 0 0 55 136,-0.5 2,-0.5 -2,-0.3 -6,-0.1 0.910 73.4 149.0 53.5 51.5 49.5 28.1 21.0 102 102 A F + 0 0 4 -7,-0.2 8,-2.2 -3,-0.1 9,-0.3 -0.953 9.8 153.9-119.9 114.5 46.2 29.7 22.1 103 103 A H - 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