==== 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 16-FEB-07 2OWD . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,M.TAKETA,N.ONO,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUC . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15376.0 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 . 32 9.4 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 . 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 . 29 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.3 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 0 2 0 0 1 4 3 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 . 3 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 73 0, 0.0 159,-2.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 143.4 32.4 7.4 8.8 2 2 A E E +A 159 0A 80 157,-0.2 126,-1.0 155,-0.1 2,-0.4 -0.545 360.0 174.4 -68.8 115.6 30.2 9.8 6.8 3 3 A L E -Ab 158 128A 2 155,-2.7 155,-2.6 -2,-0.6 2,-0.6 -0.980 21.7-153.0-122.1 138.5 29.5 12.8 9.0 4 4 A W E -Ab 157 129A 39 124,-2.6 126,-3.9 -2,-0.4 2,-0.5 -0.920 13.1-163.9-110.4 114.9 27.6 15.9 8.0 5 5 A L E -Ab 156 130A 1 151,-3.2 151,-2.4 -2,-0.6 2,-0.5 -0.853 3.1-164.5-100.7 129.7 28.7 19.0 10.0 6 6 A V E -Ab 155 131A 0 124,-3.2 126,-3.1 -2,-0.5 2,-0.5 -0.952 12.7-144.2-117.5 128.4 26.4 22.0 9.9 7 7 A R E - b 0 132A 61 147,-2.5 146,-1.4 -2,-0.5 126,-0.2 -0.797 34.3-114.1 -89.0 125.9 27.4 25.5 11.0 8 8 A H - 0 0 17 124,-2.0 145,-1.1 -2,-0.5 146,-0.2 -0.026 37.2 -86.9 -56.6 161.8 24.5 27.2 12.6 9 9 A G - 0 0 0 45,-0.5 22,-0.2 143,-0.3 144,-0.1 -0.121 59.2 -74.7 -64.6 168.4 22.8 30.3 11.1 10 10 A E - 0 0 26 142,-0.2 18,-2.1 20,-0.1 21,-0.2 -0.246 40.3-165.1 -69.8 152.2 24.0 33.8 11.8 11 11 A T B >> -F 27 0B 3 16,-0.2 3,-1.4 -3,-0.1 4,-0.8 -0.701 43.7 -91.2-121.9 175.0 23.5 35.7 15.0 12 12 A L H 3> S+ 0 0 87 14,-0.5 4,-1.8 1,-0.3 3,-0.5 0.864 123.0 61.4 -59.8 -36.9 24.0 39.5 15.5 13 13 A W H 3>>S+ 0 0 52 1,-0.2 5,-2.4 2,-0.2 4,-0.5 0.628 92.3 66.9 -67.3 -12.8 27.7 39.0 16.5 14 14 A N H <45S+ 0 0 68 -3,-1.4 3,-0.5 2,-0.2 -1,-0.2 0.937 109.0 35.9 -71.9 -46.0 28.5 37.5 13.2 15 15 A R H <5S+ 0 0 162 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.818 118.0 53.5 -74.7 -30.3 27.8 40.8 11.4 16 16 A E H <5S- 0 0 87 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.537 107.5-127.9 -80.8 -7.5 29.3 42.7 14.4 17 17 A G T <5 + 0 0 34 -4,-0.5 68,-3.0 -3,-0.5 69,-0.4 0.908 55.0 148.1 62.1 44.7 32.5 40.6 14.2 18 18 A R B < -G 84 0C 89 -5,-2.4 2,-0.3 66,-0.2 66,-0.2 -0.871 55.9-104.2-111.5 145.7 32.5 39.6 17.9 19 19 A L - 0 0 17 64,-2.7 63,-3.0 -2,-0.4 2,-0.5 -0.524 38.6-167.3 -67.9 124.5 33.8 36.3 19.3 20 20 A L + 0 0 22 -2,-0.3 55,-0.1 61,-0.2 61,-0.1 -0.941 27.2 135.2-121.2 110.5 30.9 34.1 20.1 21 21 A G S S- 0 0 0 -2,-0.5 53,-0.3 57,-0.1 55,-0.2 0.498 78.5 -11.0-114.5-101.1 31.5 31.0 22.2 22 22 A W S S+ 0 0 93 53,-0.1 2,-0.5 51,-0.1 54,-0.1 0.408 96.0 116.2 -87.7 0.4 29.4 29.9 25.1 23 23 A T S S- 0 0 47 1,-0.1 2,-1.5 29,-0.0 59,-0.1 -0.606 71.0-131.6 -68.6 123.0 27.4 33.2 25.2 24 24 A D + 0 0 76 -2,-0.5 -1,-0.1 29,-0.1 -2,-0.1 -0.581 41.1 163.3 -85.3 85.4 23.9 32.0 24.4 25 25 A L - 0 0 39 -2,-1.5 29,-0.6 1,-0.1 2,-0.1 -0.668 32.5-117.1 -99.7 155.0 22.7 34.3 21.7 26 26 A P - 0 0 72 0, 0.0 -14,-0.5 0, 0.0 28,-0.1 -0.467 29.1 -99.0 -89.9 161.5 19.7 33.7 19.3 27 27 A L B -F 11 0B 15 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.1 -0.359 38.2-125.5 -69.7 157.4 19.7 33.4 15.6 28 28 A T > - 0 0 17 -18,-2.1 4,-2.1 1,-0.1 5,-0.2 -0.403 34.4 -92.5 -93.5 178.3 18.7 36.5 13.6 29 29 A A H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.936 131.9 46.2 -58.1 -46.9 15.8 36.5 11.1 30 30 A E H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.833 108.1 58.4 -64.5 -32.1 18.3 35.8 8.3 31 31 A G H > S+ 0 0 0 -21,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.884 107.7 45.0 -64.7 -38.8 19.8 33.1 10.5 32 32 A E H X S+ 0 0 51 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.865 111.4 54.4 -71.6 -34.9 16.5 31.3 10.8 33 33 A A H X S+ 0 0 22 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.928 106.9 49.9 -62.7 -45.8 16.1 31.8 7.0 34 34 A Q H < S+ 0 0 32 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.884 110.5 52.1 -59.6 -39.1 19.5 30.1 6.4 35 35 A A H >X S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 4,-0.5 0.891 105.2 52.3 -66.4 -42.8 18.4 27.3 8.6 36 36 A R H >< S+ 0 0 125 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.861 101.2 62.7 -63.5 -33.6 15.1 26.6 6.8 37 37 A R T 3< S+ 0 0 96 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.695 94.4 64.1 -64.8 -16.8 16.9 26.4 3.5 38 38 A L T X> S+ 0 0 1 -3,-1.3 3,-2.3 -4,-0.4 4,-0.8 0.756 75.9 102.9 -78.2 -25.7 18.8 23.4 4.9 39 39 A K T << S+ 0 0 140 -3,-1.2 24,-0.1 -4,-0.5 23,-0.1 -0.370 93.7 13.3 -60.0 131.8 15.6 21.3 5.2 40 40 A G T 34 S+ 0 0 82 22,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.325 115.0 80.0 84.0 -10.0 15.5 18.8 2.4 41 41 A A T <4 S+ 0 0 34 -3,-2.3 -2,-0.2 21,-0.1 -3,-0.1 0.501 83.8 66.9-103.9 -9.8 19.2 19.5 1.6 42 42 A L S < S- 0 0 15 -4,-0.8 -2,-0.3 20,-0.2 87,-0.0 -0.846 91.5-102.6-112.5 150.1 20.6 17.3 4.4 43 43 A P - 0 0 36 0, 0.0 2,-2.2 0, 0.0 -2,-0.1 -0.350 34.3-110.6 -69.1 150.4 20.4 13.5 4.6 44 44 A S + 0 0 125 -4,-0.1 3,-0.1 84,-0.0 20,-0.0 -0.444 68.7 139.4 -81.9 68.1 17.8 12.0 6.9 45 45 A L - 0 0 44 -2,-2.2 83,-0.2 1,-0.1 84,-0.1 -0.627 65.7 -75.3-106.5 166.1 20.4 10.6 9.4 46 46 A P - 0 0 78 0, 0.0 83,-2.4 0, 0.0 2,-0.4 -0.342 58.1-136.6 -58.3 143.4 20.3 10.6 13.2 47 47 A A E -c 129 0A 13 18,-0.2 20,-2.1 81,-0.2 2,-0.3 -0.904 24.1-177.7-118.0 142.1 21.0 14.1 14.4 48 48 A F E -cd 130 67A 39 81,-2.4 83,-3.4 -2,-0.4 2,-0.3 -0.935 12.5-178.8-127.7 145.9 23.2 15.6 17.2 49 49 A S E -cd 131 68A 0 18,-1.9 20,-2.7 -2,-0.3 23,-0.2 -0.996 34.9-100.0-149.6 146.8 23.5 19.2 18.2 50 50 A S - 0 0 0 81,-2.3 6,-0.2 -2,-0.3 81,-0.0 -0.383 36.8-128.5 -55.4 147.4 25.2 21.7 20.5 51 51 A D S S+ 0 0 37 18,-0.3 -1,-0.1 4,-0.1 2,-0.1 0.600 75.4 114.3 -80.6 -10.2 22.8 22.5 23.2 52 52 A L S >> S- 0 0 6 1,-0.1 4,-2.2 4,-0.1 3,-1.4 -0.380 78.4-118.2 -61.7 135.6 23.3 26.2 22.6 53 53 A M H 3> S+ 0 0 59 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.838 109.2 55.5 -44.1 -50.0 20.1 27.9 21.3 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.0 1,-0.2 -45,-0.5 0.826 113.7 42.5 -58.4 -31.5 21.4 29.0 17.9 55 55 A A H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.943 114.0 48.9 -78.5 -51.7 22.4 25.4 17.1 56 56 A R H X S+ 0 0 99 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.884 112.9 49.1 -53.2 -43.7 19.3 23.8 18.5 57 57 A R H X S+ 0 0 76 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.848 108.6 52.8 -67.2 -36.0 17.1 26.2 16.6 58 58 A T H X S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.3 -2,-0.2 0.944 110.0 48.7 -64.6 -46.0 19.0 25.6 13.3 59 59 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -2,-0.2 0.932 112.5 48.6 -58.0 -47.8 18.5 21.9 13.7 60 60 A E H ><5S+ 0 0 110 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.952 111.6 47.1 -58.8 -53.2 14.8 22.4 14.4 61 61 A L H 3<5S+ 0 0 26 -4,-2.7 -22,-0.3 1,-0.3 -1,-0.2 0.762 106.5 60.4 -62.2 -24.8 14.2 24.7 11.4 62 62 A A T 3<5S- 0 0 2 -4,-1.6 -22,-0.4 -5,-0.2 -1,-0.3 0.453 125.3-103.3 -81.4 -1.4 16.2 22.2 9.3 63 63 A G T < 5S+ 0 0 44 -3,-2.2 2,-0.2 1,-0.3 -3,-0.2 0.665 80.3 125.5 92.5 17.4 13.5 19.6 10.1 64 64 A F < - 0 0 31 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.720 50.9-155.2-110.5 160.4 15.5 17.6 12.7 65 65 A S - 0 0 124 -2,-0.2 -18,-0.2 2,-0.0 -5,-0.0 -0.699 34.8-169.6-130.9 74.1 14.9 16.6 16.4 66 66 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.178 26.2-118.8 -69.7 155.8 18.5 16.2 17.6 67 67 A R E -d 48 0A 162 -20,-2.1 -18,-1.9 2,-0.0 2,-0.3 -0.805 41.2-120.6 -90.0 136.3 19.9 14.8 20.8 68 68 A L E +d 49 0A 79 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.634 34.2 172.9 -89.1 137.7 21.8 17.5 22.6 69 69 A Y > - 0 0 58 -20,-2.7 3,-1.8 -2,-0.3 -18,-0.3 -0.964 27.4-155.2-142.8 119.7 25.5 17.4 23.5 70 70 A P G > S+ 0 0 67 0, 0.0 3,-1.9 0, 0.0 -20,-0.1 0.695 91.7 79.1 -66.0 -15.5 27.5 20.2 25.0 71 71 A E G 3 S+ 0 0 83 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.700 87.0 58.1 -65.0 -16.9 30.6 18.5 23.5 72 72 A L G < S+ 0 0 2 -3,-1.8 61,-0.5 -23,-0.2 -22,-0.3 0.359 83.5 121.1 -93.8 4.4 29.5 20.0 20.2 73 73 A R S < S- 0 0 51 -3,-1.9 3,-0.1 -24,-0.1 -51,-0.1 -0.208 71.9 -98.9 -66.7 159.2 29.7 23.6 21.5 74 74 A E - 0 0 21 -53,-0.3 -1,-0.1 1,-0.2 -53,-0.1 -0.181 60.1 -74.3 -65.8 167.7 32.0 26.3 20.1 75 75 A I - 0 0 6 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.375 50.0-111.3 -66.3 147.9 35.3 26.8 21.9 76 76 A H - 0 0 49 -55,-0.2 32,-2.9 1,-0.1 -1,-0.1 -0.752 27.3-164.5 -83.8 110.5 34.8 28.7 25.2 77 77 A F > - 0 0 17 -2,-0.8 3,-2.3 1,-0.2 30,-0.2 0.492 16.9-165.3 -75.5 -2.8 36.5 32.1 24.7 78 78 A G G > S+ 0 0 11 28,-0.3 3,-2.1 1,-0.3 28,-0.2 -0.278 72.1 0.4 56.1-132.2 36.6 32.9 28.4 79 79 A A G 3 S+ 0 0 79 26,-3.0 -1,-0.3 1,-0.3 27,-0.1 0.692 130.8 66.2 -61.5 -17.6 37.3 36.5 29.0 80 80 A L G X + 0 0 21 -3,-2.3 3,-2.2 25,-0.3 -61,-0.3 0.447 68.9 127.1 -85.1 -0.5 37.4 37.0 25.2 81 81 A E T < S+ 0 0 37 -3,-2.1 -61,-0.2 1,-0.3 3,-0.1 -0.365 83.0 8.3 -56.4 131.7 33.7 36.2 24.9 82 82 A G T 3 S+ 0 0 10 -63,-3.0 -1,-0.3 1,-0.2 -62,-0.1 0.419 92.9 146.8 77.1 -2.2 32.1 39.0 22.9 83 83 A A < - 0 0 27 -3,-2.2 -64,-2.7 -64,-0.1 2,-0.3 -0.387 55.9-108.6 -68.6 143.9 35.4 40.7 22.1 84 84 A L B -G 18 0C 50 -66,-0.2 4,-0.4 1,-0.2 3,-0.4 -0.580 17.4-142.2 -72.9 130.8 35.6 42.5 18.7 85 85 A W S > S+ 0 0 91 -68,-3.0 3,-2.0 -2,-0.3 -1,-0.2 0.948 99.6 61.1 -56.3 -48.0 37.9 40.6 16.3 86 86 A E T 3 S+ 0 0 149 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.818 109.5 38.4 -46.2 -45.1 39.2 43.9 15.1 87 87 A T T 3 S+ 0 0 95 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.309 86.0 129.0 -95.2 8.7 40.6 45.0 18.4 88 88 A L S < S- 0 0 11 -3,-2.0 5,-0.1 -4,-0.4 -3,-0.0 -0.414 72.7 -98.3 -66.8 135.6 41.9 41.5 19.5 89 89 A D >> - 0 0 77 1,-0.1 4,-2.2 -2,-0.1 3,-1.5 -0.303 33.4-118.3 -55.2 133.0 45.5 41.5 20.6 90 90 A P H 3> S+ 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.752 113.4 57.9 -44.3 -34.1 47.7 40.3 17.7 91 91 A R H 3> S+ 0 0 154 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.886 109.9 43.1 -68.4 -37.6 48.9 37.3 19.6 92 92 A Y H <> S+ 0 0 27 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.916 113.2 53.5 -71.9 -42.2 45.3 36.1 20.0 93 93 A K H X S+ 0 0 48 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.934 113.2 41.3 -56.2 -51.9 44.5 37.0 16.4 94 94 A E H X S+ 0 0 110 -4,-2.7 4,-3.4 2,-0.2 5,-0.3 0.862 110.3 58.1 -68.7 -35.4 47.5 34.9 15.1 95 95 A A H X>S+ 0 0 9 -4,-1.7 5,-2.3 -5,-0.3 4,-0.5 0.947 113.7 39.4 -55.3 -46.7 46.8 32.1 17.5 96 96 A L H <5S+ 0 0 14 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.870 115.8 51.8 -70.8 -37.6 43.3 31.8 16.1 97 97 A L H <5S+ 0 0 97 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.945 118.3 35.9 -63.2 -48.5 44.5 32.4 12.5 98 98 A R H <5S- 0 0 86 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.527 108.1-131.2 -82.0 -5.9 47.2 29.7 12.7 99 99 A F T <5 + 0 0 17 -4,-0.5 2,-0.3 -5,-0.3 -3,-0.2 0.917 69.0 96.3 57.6 50.6 44.8 27.6 14.9 100 100 A Q < + 0 0 38 -5,-2.3 -2,-0.2 -6,-0.2 -1,-0.2 -0.987 65.0 23.9-163.7 154.5 47.3 26.9 17.7 101 101 A G S S+ 0 0 53 136,-0.5 2,-0.5 -2,-0.3 -1,-0.1 0.919 71.3 150.4 53.9 52.7 48.6 28.0 21.0 102 102 A F + 0 0 4 -7,-0.1 8,-1.9 -3,-0.1 9,-0.3 -0.963 10.0 158.4-117.7 115.9 45.4 29.8 22.1 103 103 A H - 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