==== 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 26-MAR-07 2P9Z . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,M.TAKETA,Y.TANAKA,Y.MATSUURA,N.KUNISHIMA,RIKEN ST . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 71.3 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 . 31 9.1 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 . 91 26.7 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 2 0 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,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 123.9 33.6 7.2 9.1 2 2 A E E +A 159 0A 81 157,-0.2 126,-1.2 155,-0.1 2,-0.4 -0.560 360.0 172.6 -72.3 115.2 31.1 9.5 7.2 3 3 A L E -Ab 158 128A 1 155,-2.5 155,-2.8 -2,-0.6 2,-0.6 -0.989 23.0-153.1-127.8 132.4 30.4 12.5 9.4 4 4 A W E -Ab 157 129A 38 124,-2.5 126,-3.8 -2,-0.4 2,-0.5 -0.914 12.7-163.0-105.2 114.3 28.4 15.6 8.5 5 5 A L E -Ab 156 130A 1 151,-3.1 151,-2.3 -2,-0.6 2,-0.5 -0.870 4.4-163.9-100.7 126.3 29.5 18.7 10.4 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.1 -2,-0.5 2,-0.5 -0.926 12.5-143.4-113.1 127.9 27.1 21.6 10.4 7 7 A R E - b 0 132A 35 147,-2.8 146,-1.6 -2,-0.5 147,-0.2 -0.786 34.2-112.7 -87.9 126.4 28.0 25.1 11.4 8 8 A H - 0 0 13 124,-2.0 145,-1.1 -2,-0.5 146,-0.2 -0.014 38.3 -88.0 -54.4 160.3 25.1 26.7 13.3 9 9 A G - 0 0 0 45,-0.5 22,-0.2 143,-0.3 144,-0.1 -0.143 60.5 -72.6 -64.6 167.5 23.2 29.6 11.8 10 10 A E - 0 0 25 142,-0.2 18,-2.3 20,-0.1 21,-0.3 -0.215 42.3-167.5 -67.1 150.9 24.4 33.2 12.3 11 11 A T >> - 0 0 2 16,-0.2 3,-1.2 -3,-0.1 4,-0.7 -0.625 44.8 -90.3-120.2-178.9 24.1 35.1 15.6 12 12 A L H 3> S+ 0 0 90 14,-0.4 4,-1.9 1,-0.2 3,-0.4 0.846 122.8 63.1 -66.8 -32.7 24.6 38.9 16.1 13 13 A W H 3>>S+ 0 0 50 1,-0.2 5,-2.0 2,-0.2 4,-0.8 0.575 91.0 67.9 -70.4 -6.8 28.3 38.4 16.8 14 14 A N H <45S+ 0 0 66 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.935 109.1 34.2 -75.4 -47.6 28.9 37.0 13.3 15 15 A R H <5S+ 0 0 158 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.1 0.815 119.9 52.8 -74.9 -30.9 28.1 40.4 11.7 16 16 A E H <5S- 0 0 90 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.665 104.8-131.4 -78.2 -18.1 29.7 42.2 14.6 17 17 A G T <5 + 0 0 34 -4,-0.8 68,-2.7 1,-0.2 69,-0.4 0.925 51.3 148.9 68.4 46.3 32.9 40.2 14.3 18 18 A R B < -F 84 0B 84 -5,-2.0 2,-0.3 66,-0.2 66,-0.2 -0.875 57.7 -98.7-112.8 145.5 33.3 39.2 18.0 19 19 A L - 0 0 17 64,-2.9 63,-2.9 -2,-0.3 2,-0.6 -0.463 42.2-166.0 -63.3 119.9 34.8 36.0 19.4 20 20 A L + 0 0 25 -2,-0.3 55,-0.1 61,-0.2 61,-0.1 -0.916 30.1 131.5-116.5 106.7 31.9 33.8 20.1 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.4 53,-0.1 55,-0.2 0.533 80.0 -10.3-115.6 -98.4 32.6 30.7 22.3 22 22 A W S S+ 0 0 92 51,-0.1 2,-0.3 53,-0.1 54,-0.1 0.487 94.7 117.6 -89.0 -3.1 30.6 29.7 25.3 23 23 A T S S- 0 0 44 1,-0.1 2,-1.7 29,-0.1 59,-0.1 -0.527 70.3-132.2 -63.0 122.7 28.6 32.9 25.3 24 24 A D + 0 0 81 -2,-0.3 -1,-0.1 29,-0.1 -2,-0.1 -0.444 38.4 169.2 -85.8 70.2 25.1 31.5 24.8 25 25 A L - 0 0 34 -2,-1.7 29,-0.6 1,-0.1 2,-0.1 -0.470 29.4-126.0 -79.5 149.1 23.7 33.8 22.0 26 26 A P - 0 0 76 0, 0.0 -14,-0.4 0, 0.0 28,-0.1 -0.461 33.4 -93.1 -88.2 165.5 20.5 33.0 20.2 27 27 A L - 0 0 19 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.1 -0.415 38.4-121.4 -73.7 155.3 20.3 32.7 16.4 28 28 A T > - 0 0 18 -18,-2.3 4,-2.2 -2,-0.1 5,-0.2 -0.374 35.8 -95.4 -85.7 174.7 19.2 35.9 14.5 29 29 A A H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.925 131.0 46.6 -57.3 -44.3 16.1 35.7 12.3 30 30 A E H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.847 107.1 58.2 -66.1 -35.1 18.4 35.0 9.3 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.907 107.1 46.9 -61.6 -41.3 20.2 32.4 11.3 32 32 A E H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.849 110.2 54.0 -68.0 -33.8 17.0 30.5 11.9 33 33 A A H X S+ 0 0 18 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.931 107.1 50.5 -64.5 -45.1 16.3 30.9 8.2 34 34 A Q H X S+ 0 0 32 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.887 109.9 51.3 -59.4 -40.0 19.6 29.3 7.4 35 35 A A H >X S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.6 0.924 106.7 52.6 -64.2 -45.3 18.8 26.5 9.7 36 36 A R H >< S+ 0 0 130 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.886 104.0 57.5 -57.5 -41.3 15.4 25.8 8.1 37 37 A R H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.771 95.6 65.1 -62.3 -26.2 17.1 25.6 4.7 38 38 A L H XX S+ 0 0 1 -3,-0.9 3,-2.3 -4,-0.8 4,-1.0 0.769 77.8 100.1 -68.3 -25.5 19.3 22.8 6.0 39 39 A K T << S+ 0 0 140 -3,-1.3 24,-0.1 -4,-0.6 23,-0.1 -0.472 93.8 16.1 -64.1 121.6 16.2 20.6 6.4 40 40 A G T 34 S+ 0 0 81 22,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.262 115.1 75.2 97.9 -12.6 16.2 18.3 3.4 41 41 A A T <4 S+ 0 0 34 -3,-2.3 -2,-0.2 21,-0.1 -3,-0.1 0.501 85.8 70.9-105.8 -10.7 19.8 19.0 2.5 42 42 A L S < S- 0 0 17 -4,-1.0 -2,-0.3 20,-0.2 87,-0.0 -0.850 89.2-108.7-108.6 143.8 21.2 16.9 5.3 43 43 A P - 0 0 37 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.319 32.1-107.7 -68.8 151.8 21.1 13.1 5.4 44 44 A S + 0 0 124 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.647 69.6 135.8 -81.9 88.3 18.7 11.3 7.8 45 45 A L - 0 0 46 -2,-1.6 83,-0.2 1,-0.1 84,-0.1 -0.851 66.9 -73.8-129.2 163.7 21.4 10.0 10.2 46 46 A P - 0 0 81 0, 0.0 83,-2.5 0, 0.0 2,-0.4 -0.316 58.8-142.3 -56.1 145.2 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 -0.912 22.5-175.9-122.7 141.9 22.4 13.4 15.2 48 48 A F E -cd 130 67A 39 81,-2.6 83,-3.0 -2,-0.4 2,-0.3 -0.952 13.0-170.6-125.2 150.9 24.5 14.9 17.9 49 49 A S E -cd 131 68A 0 18,-2.0 20,-3.2 -2,-0.3 23,-0.2 -0.993 31.6-104.5-146.5 153.3 24.7 18.6 18.8 50 50 A S - 0 0 0 81,-2.2 6,-0.1 -2,-0.3 21,-0.0 -0.416 37.3-128.9 -62.4 147.8 26.6 21.1 20.9 51 51 A D S S+ 0 0 38 18,-0.4 -1,-0.1 4,-0.1 2,-0.1 0.506 74.3 113.4 -83.5 -2.4 24.4 21.9 23.9 52 52 A L S >> S- 0 0 5 1,-0.1 4,-2.4 4,-0.0 3,-1.1 -0.444 79.3-115.3 -69.8 142.2 24.7 25.7 23.2 53 53 A L H 3> S+ 0 0 55 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.842 110.8 53.7 -44.4 -52.1 21.5 27.3 22.2 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.0 1,-0.2 -45,-0.5 0.811 114.2 43.1 -59.3 -31.4 22.5 28.4 18.6 55 55 A A H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.927 114.6 48.5 -79.0 -48.0 23.5 24.8 17.8 56 56 A R H X S+ 0 0 90 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.903 113.0 48.5 -57.2 -44.5 20.5 23.2 19.4 57 57 A R H X S+ 0 0 71 -4,-3.1 4,-2.5 -5,-0.2 -1,-0.2 0.865 109.2 52.9 -65.5 -37.0 18.1 25.5 17.7 58 58 A T H X S+ 0 0 0 -4,-1.0 4,-1.4 -5,-0.3 -1,-0.2 0.917 109.9 48.7 -64.5 -42.5 19.9 24.9 14.3 59 59 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 4,-0.2 0.921 111.8 49.1 -62.5 -45.5 19.4 21.2 14.8 60 60 A E H ><5S+ 0 0 116 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.948 112.4 46.3 -59.4 -51.7 15.7 21.6 15.7 61 61 A L H 3<5S+ 0 0 26 -4,-2.5 -22,-0.3 1,-0.3 -1,-0.2 0.731 107.3 59.0 -65.2 -22.5 15.0 23.8 12.7 62 62 A A T 3<5S- 0 0 2 -4,-1.4 -22,-0.4 -5,-0.2 -1,-0.3 0.461 125.3-101.9 -85.3 -1.7 16.9 21.4 10.4 63 63 A G T < 5S+ 0 0 46 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.601 79.5 123.4 94.5 14.4 14.5 18.6 11.5 64 64 A F < - 0 0 32 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.676 51.4-155.1-110.2 162.9 16.6 16.7 14.0 65 65 A S - 0 0 126 -2,-0.2 -18,-0.2 2,-0.0 -5,-0.0 -0.737 37.0-172.8-131.9 76.9 16.3 15.7 17.6 66 66 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 -18,-0.3 -0.191 28.8-110.9 -75.7 156.8 20.1 15.4 18.5 67 67 A R E -d 48 0A 169 -20,-2.1 -18,-2.0 1,-0.0 2,-0.2 -0.830 41.3-119.3 -87.4 124.6 21.8 14.0 21.6 68 68 A L E +d 49 0A 85 -2,-0.6 -18,-0.2 -20,-0.2 -17,-0.1 -0.416 34.5 178.2 -73.0 133.9 23.4 17.0 23.4 69 69 A H > - 0 0 26 -20,-3.2 3,-1.9 -2,-0.2 -18,-0.4 -0.938 25.9-159.8-135.1 116.9 27.1 16.9 23.9 70 70 A P G > S+ 0 0 69 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.785 92.2 75.2 -63.3 -20.3 29.2 19.7 25.5 71 71 A E G 3 S+ 0 0 79 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.707 88.4 57.7 -63.9 -19.5 32.1 18.1 23.7 72 72 A L G < S+ 0 0 1 -3,-1.9 61,-0.4 -23,-0.2 -22,-0.3 0.319 83.1 121.4 -92.9 6.7 30.8 19.6 20.5 73 73 A R S < S- 0 0 51 -3,-1.8 3,-0.1 -24,-0.1 -51,-0.1 -0.290 71.8-100.7 -68.9 157.3 31.0 23.2 21.9 74 74 A E - 0 0 18 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.178 59.0 -74.1 -65.2 167.1 33.0 25.9 20.3 75 75 A I - 0 0 4 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.372 50.1-113.4 -64.9 147.9 36.4 26.6 22.0 76 76 A H - 0 0 47 -55,-0.2 32,-2.7 1,-0.1 -1,-0.1 -0.770 26.3-165.7 -86.6 110.1 36.0 28.5 25.4 77 77 A F > - 0 0 16 -2,-0.8 3,-2.3 1,-0.2 30,-0.2 0.518 16.0-165.9 -75.7 -3.8 37.5 31.9 24.8 78 78 A G G > S+ 0 0 13 28,-0.3 3,-2.0 1,-0.3 28,-0.2 -0.310 72.8 0.3 56.9-130.7 37.7 32.7 28.5 79 79 A A G 3 S+ 0 0 78 26,-3.0 -1,-0.3 1,-0.3 27,-0.1 0.676 130.8 65.9 -63.6 -17.1 38.3 36.4 29.1 80 80 A L G X + 0 0 23 -3,-2.3 3,-2.3 25,-0.3 -61,-0.3 0.468 69.6 125.0 -85.1 -1.2 38.4 36.9 25.3 81 81 A E T < S+ 0 0 38 -3,-2.0 -61,-0.2 1,-0.3 3,-0.1 -0.389 82.7 12.1 -57.5 131.5 34.7 36.0 25.0 82 82 A G T 3 S+ 0 0 12 -63,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.409 91.5 146.6 81.1 -3.0 33.0 38.8 23.1 83 83 A A < - 0 0 27 -3,-2.3 -64,-2.9 -64,-0.2 -1,-0.3 -0.442 54.5-114.1 -69.8 138.2 36.3 40.5 22.1 84 84 A L B -F 18 0B 51 -66,-0.2 3,-0.3 1,-0.2 -66,-0.2 -0.547 15.7-140.7 -70.2 134.1 36.3 42.2 18.7 85 85 A W S > S+ 0 0 94 -68,-2.7 3,-2.4 -2,-0.2 -1,-0.2 0.948 99.2 63.3 -59.5 -47.9 38.6 40.4 16.3 86 86 A E T 3 S+ 0 0 150 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.828 110.0 36.5 -43.6 -45.4 39.7 43.7 14.9 87 87 A T T 3 S+ 0 0 98 -3,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.201 85.6 128.2-100.1 17.1 41.2 44.8 18.2 88 88 A L S < S- 0 0 9 -3,-2.4 5,-0.1 -4,-0.2 -3,-0.0 -0.521 74.3 -95.1 -73.1 136.5 42.6 41.4 19.3 89 89 A D >> - 0 0 63 -2,-0.2 4,-2.3 1,-0.1 3,-1.4 -0.252 33.9-119.2 -51.6 135.3 46.2 41.5 20.3 90 90 A P H 3> S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.783 113.8 58.6 -47.9 -34.0 48.4 40.5 17.2 91 91 A R H 3> S+ 0 0 186 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.872 109.0 43.5 -67.0 -36.9 49.7 37.5 19.2 92 92 A Y H <> S+ 0 0 69 -3,-1.4 4,-2.3 2,-0.2 5,-0.2 0.884 112.1 53.6 -74.1 -39.9 46.2 36.2 19.7 93 93 A K H X S+ 0 0 48 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.929 111.6 45.4 -59.0 -46.0 45.3 36.9 16.1 94 94 A E H X S+ 0 0 105 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.891 110.2 53.9 -65.4 -40.6 48.3 34.9 14.9 95 95 A A H <>S+ 0 0 9 -4,-1.7 5,-2.2 1,-0.2 4,-0.3 0.895 114.0 41.9 -61.4 -40.5 47.6 32.1 17.3 96 96 A L H <5S+ 0 0 15 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.860 115.1 50.0 -75.8 -35.7 44.1 31.7 16.0 97 97 A L H <5S+ 0 0 102 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.924 119.5 36.5 -68.0 -43.4 45.1 32.2 12.3 98 98 A R T <5S- 0 0 88 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.495 107.4-132.3 -86.0 -3.8 47.8 29.5 12.6 99 99 A F T 5 + 0 0 16 -4,-0.3 2,-0.3 -5,-0.2 -3,-0.2 0.889 68.2 95.9 54.8 48.4 45.6 27.5 14.9 100 100 A Q < + 0 0 33 -5,-2.2 -2,-0.2 -6,-0.2 -1,-0.2 -0.990 64.5 25.9-161.1 155.1 48.3 26.9 17.6 101 101 A G S S+ 0 0 61 136,-0.5 2,-0.5 -2,-0.3 -6,-0.1 0.909 74.6 143.6 55.5 50.1 49.6 28.2 20.9 102 102 A F + 0 0 4 -7,-0.1 8,-2.2 -3,-0.1 9,-0.3 -0.970 10.7 152.0-123.7 116.2 46.4 29.8 22.0 103 103 A H - 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