==== 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 2P77 . 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) . 15114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 72.1 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 . 32 9.4 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 . 92 27.0 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 1 1 0 0 0 4 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 69 0, 0.0 159,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 122.8 33.5 7.2 9.0 2 2 A E E +A 159 0A 83 157,-0.2 126,-1.2 155,-0.1 2,-0.4 -0.537 360.0 171.9 -70.9 114.4 31.1 9.5 7.2 3 3 A L E -Ab 158 128A 1 155,-2.5 155,-2.7 -2,-0.6 2,-0.7 -0.988 23.4-152.5-127.6 132.8 30.4 12.5 9.5 4 4 A W E -Ab 157 129A 38 124,-2.5 126,-3.8 -2,-0.4 2,-0.5 -0.910 12.6-162.6-105.4 112.9 28.4 15.6 8.5 5 5 A L E -Ab 156 130A 4 151,-3.3 151,-2.4 -2,-0.7 2,-0.5 -0.849 4.9-164.7 -98.4 126.8 29.5 18.7 10.5 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.1 -2,-0.5 2,-0.5 -0.937 13.1-142.9-114.1 127.5 27.1 21.6 10.5 7 7 A R E - b 0 132A 57 147,-2.7 146,-1.4 -2,-0.5 126,-0.2 -0.769 34.8-111.8 -86.7 128.6 28.0 25.1 11.5 8 8 A H - 0 0 12 124,-2.0 145,-1.1 -2,-0.5 146,-0.2 -0.060 39.5 -86.2 -56.8 159.9 25.1 26.7 13.4 9 9 A G - 0 0 0 45,-0.5 22,-0.2 143,-0.3 -1,-0.1 -0.190 60.8 -75.5 -63.9 161.7 23.2 29.6 11.9 10 10 A E - 0 0 24 142,-0.1 18,-2.3 17,-0.1 21,-0.3 -0.155 41.9-166.7 -63.6 150.7 24.4 33.1 12.4 11 11 A T >> - 0 0 2 16,-0.2 3,-1.4 -3,-0.1 4,-0.7 -0.660 43.8 -90.0-121.1 178.8 24.1 35.1 15.6 12 12 A L H 3> S+ 0 0 89 14,-0.4 4,-1.7 1,-0.3 3,-0.4 0.834 121.6 63.9 -64.1 -33.2 24.6 38.9 16.0 13 13 A W H 3>>S+ 0 0 50 1,-0.2 5,-1.9 2,-0.2 4,-0.8 0.546 89.6 69.1 -71.2 -4.1 28.3 38.5 16.8 14 14 A N H <45S+ 0 0 68 -3,-1.4 3,-0.3 2,-0.2 -1,-0.2 0.941 108.4 34.1 -75.9 -48.8 28.9 37.1 13.3 15 15 A R H <5S+ 0 0 158 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.1 0.816 118.9 54.9 -73.3 -30.7 28.2 40.5 11.7 16 16 A E H <5S- 0 0 85 -4,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.660 104.2-130.6 -76.8 -18.4 29.8 42.3 14.7 17 17 A G T <5 + 0 0 34 -4,-0.8 68,-2.9 -3,-0.3 69,-0.4 0.913 52.6 147.4 69.2 44.4 33.0 40.3 14.4 18 18 A R B < -F 84 0B 87 -5,-1.9 2,-0.4 66,-0.3 66,-0.2 -0.880 58.1-100.3-113.4 144.9 33.3 39.3 18.1 19 19 A L - 0 0 18 64,-2.9 63,-3.2 -2,-0.4 2,-0.6 -0.470 40.9-165.5 -64.3 119.2 34.8 36.1 19.4 20 20 A L + 0 0 25 -2,-0.4 55,-0.1 61,-0.2 61,-0.1 -0.900 30.0 132.5-114.5 104.6 31.9 33.8 20.1 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.4 57,-0.1 55,-0.2 0.568 79.6 -11.4-112.8 -98.5 32.6 30.8 22.3 22 22 A W S S+ 0 0 91 51,-0.1 2,-0.3 53,-0.1 54,-0.1 0.498 94.2 119.1 -88.8 -3.8 30.5 29.7 25.3 23 23 A T - 0 0 44 1,-0.1 2,-1.8 29,-0.1 59,-0.1 -0.501 69.4-132.0 -61.9 121.3 28.5 32.9 25.4 24 24 A D + 0 0 81 -2,-0.3 -1,-0.1 29,-0.1 -2,-0.1 -0.453 38.6 169.3 -83.5 70.8 25.0 31.5 24.8 25 25 A L - 0 0 33 -2,-1.8 29,-0.6 1,-0.1 2,-0.1 -0.470 29.3-124.3 -80.8 150.3 23.6 33.8 22.0 26 26 A P - 0 0 78 0, 0.0 -14,-0.4 0, 0.0 2,-0.1 -0.427 33.5 -92.3 -87.6 167.1 20.4 33.0 20.2 27 27 A L - 0 0 15 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.1 -0.422 38.0-124.4 -74.5 155.1 20.1 32.7 16.4 28 28 A T > - 0 0 16 -18,-2.3 4,-2.0 -2,-0.1 5,-0.2 -0.394 34.8 -95.8 -88.6 175.3 19.2 35.8 14.4 29 29 A A H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 3,-0.1 0.932 130.2 47.0 -58.3 -45.5 16.2 35.8 12.1 30 30 A E H > S+ 0 0 80 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.891 107.2 57.5 -63.6 -39.2 18.5 35.0 9.2 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.875 106.3 49.2 -59.2 -37.7 20.2 32.3 11.3 32 32 A E H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.888 110.3 50.9 -68.1 -38.7 16.8 30.6 11.7 33 33 A A H X S+ 0 0 12 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.915 108.3 51.9 -64.1 -43.2 16.2 30.8 8.0 34 34 A Q H X S+ 0 0 28 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.895 109.7 50.5 -60.2 -40.1 19.6 29.3 7.3 35 35 A A H >X S+ 0 0 0 -4,-1.8 3,-0.9 -5,-0.2 4,-0.6 0.927 107.9 51.7 -64.3 -45.9 18.7 26.4 9.7 36 36 A R H >< S+ 0 0 132 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.888 104.6 56.9 -57.5 -42.5 15.4 25.8 8.0 37 37 A R H 3< S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.768 96.7 64.7 -62.2 -24.7 17.1 25.6 4.6 38 38 A L H XX S+ 0 0 2 -3,-0.9 3,-2.1 -4,-0.8 4,-1.0 0.753 78.8 99.6 -70.0 -24.6 19.3 22.8 6.0 39 39 A K T << S+ 0 0 139 -3,-1.4 24,-0.1 -4,-0.6 23,-0.1 -0.472 93.9 15.1 -64.8 126.4 16.2 20.6 6.4 40 40 A G T 34 S+ 0 0 82 22,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.307 115.5 76.6 91.1 -10.4 16.1 18.2 3.4 41 41 A A T <4 S+ 0 0 32 -3,-2.1 -2,-0.2 21,-0.1 -3,-0.1 0.563 84.5 69.7-104.9 -15.6 19.7 19.0 2.5 42 42 A L S < S- 0 0 13 -4,-1.0 -2,-0.3 20,-0.2 87,-0.0 -0.822 90.2-106.7-105.2 144.4 21.2 16.8 5.3 43 43 A P - 0 0 35 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.276 32.7-107.5 -66.8 152.6 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 -0.636 70.2 134.6 -82.9 85.9 18.7 11.2 7.8 45 45 A L - 0 0 47 -2,-1.6 83,-0.2 1,-0.1 84,-0.1 -0.826 67.0 -71.9-127.8 166.0 21.4 9.9 10.2 46 46 A P - 0 0 82 0, 0.0 83,-2.6 0, 0.0 2,-0.4 -0.295 58.6-140.0 -56.3 145.9 21.7 9.9 14.0 47 47 A A E -c 129 0A 13 18,-0.2 20,-2.1 81,-0.2 2,-0.3 -0.892 23.4-178.4-121.1 147.0 22.3 13.4 15.2 48 48 A F E -cd 130 67A 37 81,-2.5 83,-3.0 -2,-0.4 2,-0.3 -0.949 12.3-173.7-134.0 152.4 24.5 15.0 17.9 49 49 A S E -cd 131 68A 0 18,-2.2 20,-2.6 -2,-0.3 23,-0.2 -0.999 32.8-102.8-153.2 153.1 24.8 18.6 18.9 50 50 A S - 0 0 0 81,-2.2 6,-0.1 -2,-0.3 81,-0.0 -0.419 37.8-128.1 -63.7 148.8 26.6 21.1 21.0 51 51 A D S S+ 0 0 42 18,-0.3 2,-0.1 4,-0.1 -1,-0.1 0.500 74.9 112.7 -83.3 -1.8 24.4 22.0 23.9 52 52 A L S >> S- 0 0 5 1,-0.1 4,-2.3 4,-0.0 3,-1.2 -0.470 79.1-115.5 -72.4 141.7 24.6 25.7 23.3 53 53 A L H 3> S+ 0 0 37 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.833 110.7 53.5 -42.6 -54.2 21.4 27.4 22.1 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.1 1,-0.2 -45,-0.5 0.820 114.3 43.4 -57.4 -32.9 22.4 28.4 18.6 55 55 A A H <> S+ 0 0 0 -3,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.951 114.7 47.3 -77.4 -51.8 23.5 24.8 17.8 56 56 A R H X S+ 0 0 73 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.906 113.7 49.3 -54.0 -45.9 20.5 23.1 19.4 57 57 A R H X S+ 0 0 89 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.861 109.5 51.4 -63.6 -38.1 18.1 25.5 17.6 58 58 A T H X S+ 0 0 0 -4,-1.1 4,-1.3 -5,-0.3 -1,-0.2 0.926 110.8 49.0 -65.2 -43.2 19.8 24.9 14.3 59 59 A A H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.3 0.923 111.9 49.1 -60.4 -46.2 19.5 21.1 14.8 60 60 A E H ><5S+ 0 0 110 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.953 112.9 45.0 -58.9 -54.2 15.8 21.5 15.7 61 61 A M H 3<5S+ 0 0 40 -4,-2.6 -22,-0.3 1,-0.3 -1,-0.2 0.685 106.8 60.9 -66.4 -18.1 15.0 23.7 12.7 62 62 A A T 3<5S- 0 0 2 -4,-1.3 -22,-0.4 -3,-0.2 -1,-0.3 0.477 125.4-101.2 -86.1 -3.5 17.0 21.4 10.4 63 63 A G T < 5S+ 0 0 46 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.676 80.3 123.1 94.0 21.0 14.6 18.6 11.4 64 64 A F < - 0 0 28 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.752 51.2-155.7-116.8 162.4 16.7 16.7 14.0 65 65 A S - 0 0 123 -2,-0.3 -18,-0.2 2,-0.0 -16,-0.0 -0.729 35.3-174.2-129.9 73.9 16.5 15.6 17.6 66 66 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.263 28.4-115.1 -76.3 153.8 20.1 15.3 18.5 67 67 A R E -d 48 0A 170 -20,-2.1 -18,-2.2 1,-0.0 2,-0.3 -0.762 40.1-119.5 -81.9 136.9 21.7 14.1 21.7 68 68 A L E +d 49 0A 79 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.628 34.0 174.6 -87.9 137.9 23.5 16.9 23.4 69 69 A Y > - 0 0 58 -20,-2.6 3,-2.0 -2,-0.3 -18,-0.3 -0.960 26.8-154.4-140.8 117.9 27.2 16.8 24.1 70 70 A P G > S+ 0 0 68 0, 0.0 3,-1.9 0, 0.0 -20,-0.1 0.718 92.4 78.0 -62.8 -18.7 29.2 19.7 25.5 71 71 A E G 3 S+ 0 0 73 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.682 87.3 57.8 -64.4 -16.8 32.2 18.2 23.8 72 72 A L G < S+ 0 0 0 -3,-2.0 61,-0.4 -23,-0.2 -22,-0.3 0.329 83.0 119.2 -94.5 5.1 30.9 19.7 20.5 73 73 A R S < S- 0 0 51 -3,-1.9 3,-0.1 -24,-0.1 -51,-0.1 -0.296 73.6 -99.2 -69.3 157.7 30.9 23.3 21.9 74 74 A E - 0 0 21 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.182 59.9 -74.3 -64.2 167.4 33.1 26.0 20.3 75 75 A I - 0 0 4 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.354 50.0-112.0 -64.9 149.2 36.3 26.6 22.1 76 76 A H - 0 0 47 -55,-0.2 32,-2.8 1,-0.1 -1,-0.1 -0.766 26.9-166.9 -86.4 110.1 36.0 28.5 25.4 77 77 A F > - 0 0 14 -2,-0.8 3,-2.6 1,-0.2 30,-0.2 0.530 17.1-168.5 -75.9 -4.7 37.5 31.9 24.9 78 78 A G G > S+ 0 0 12 1,-0.3 3,-2.1 28,-0.3 28,-0.2 -0.284 72.6 3.5 55.2-128.5 37.5 32.7 28.6 79 79 A A G 3 S+ 0 0 78 26,-3.1 -1,-0.3 1,-0.3 27,-0.1 0.642 130.7 64.1 -63.4 -14.2 38.3 36.4 29.2 80 80 A L G X S+ 0 0 24 -3,-2.6 3,-2.1 25,-0.3 -1,-0.3 0.412 70.4 127.1 -90.7 2.6 38.3 36.9 25.4 81 81 A E T < S+ 0 0 39 -3,-2.1 -61,-0.2 1,-0.3 3,-0.1 -0.395 82.7 9.4 -58.8 129.7 34.6 36.0 25.0 82 82 A G T 3 S+ 0 0 10 -63,-3.2 -1,-0.3 1,-0.3 2,-0.1 0.473 92.1 147.2 79.6 -0.1 32.9 38.8 23.1 83 83 A A < - 0 0 25 -3,-2.1 -64,-2.9 -64,-0.2 2,-0.3 -0.453 55.3-111.2 -70.6 140.5 36.2 40.5 22.2 84 84 A L B -F 18 0B 43 -66,-0.2 3,-0.3 1,-0.2 4,-0.3 -0.564 16.2-140.3 -71.2 132.3 36.3 42.3 18.9 85 85 A W S > S+ 0 0 89 -68,-2.9 3,-1.9 -2,-0.3 -1,-0.2 0.933 101.1 62.6 -56.7 -44.4 38.5 40.4 16.5 86 86 A E T 3 S+ 0 0 150 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.862 108.2 38.6 -46.9 -48.1 39.7 43.8 15.2 87 87 A T T 3 S+ 0 0 98 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.2 0.279 85.5 128.6 -92.6 11.1 41.1 44.9 18.6 88 88 A L S < S- 0 0 8 -3,-1.9 5,-0.1 -4,-0.3 -3,-0.0 -0.456 72.7 -99.3 -69.0 135.3 42.6 41.5 19.5 89 89 A D >> - 0 0 79 -2,-0.2 4,-2.0 1,-0.1 3,-1.4 -0.287 33.1-117.0 -54.0 136.4 46.2 41.6 20.5 90 90 A P H 3> S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.789 114.6 59.3 -46.1 -35.2 48.4 40.6 17.5 91 91 A R H 3> S+ 0 0 163 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.888 108.3 44.2 -64.1 -39.8 49.7 37.6 19.5 92 92 A Y H <> S+ 0 0 32 -3,-1.4 4,-2.4 2,-0.2 5,-0.2 0.897 112.0 51.5 -71.9 -42.0 46.1 36.2 19.8 93 93 A K H X S+ 0 0 47 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.925 112.0 48.3 -59.8 -44.0 45.2 36.9 16.2 94 94 A E H X S+ 0 0 101 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.915 110.3 50.6 -62.5 -45.6 48.3 35.1 15.1 95 95 A A H X>S+ 0 0 10 -4,-2.0 5,-2.1 1,-0.2 4,-0.5 0.893 114.8 43.8 -60.7 -41.4 47.6 32.1 17.4 96 96 A L H <5S+ 0 0 13 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.889 114.0 50.0 -72.1 -39.2 44.1 31.8 16.1 97 97 A L H <5S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.932 119.6 36.3 -64.6 -45.2 45.1 32.3 12.4 98 98 A R H <5S- 0 0 92 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.514 106.8-131.9 -85.0 -4.9 47.8 29.6 12.7 99 99 A F T <5 + 0 0 15 -4,-0.5 2,-0.3 -5,-0.2 -3,-0.2 0.893 69.0 96.6 56.4 47.0 45.6 27.6 15.0 100 100 A Q < + 0 0 42 -5,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 -0.990 65.2 24.7-159.9 154.8 48.3 26.9 17.6 101 101 A G S S+ 0 0 58 136,-0.4 2,-0.5 -2,-0.3 -6,-0.1 0.901 73.9 146.4 55.7 48.3 49.6 28.2 20.9 102 102 A F + 0 0 4 -7,-0.2 8,-2.1 -3,-0.1 9,-0.3 -0.957 9.7 152.9-119.2 116.4 46.3 29.8 22.0 103 103 A H - 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