==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-07 2P30 . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,M.TAKETA,Y.MORIKAWA,Y.MATSUURA,N.KUNISHIMA,RIKEN . 177 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 9.6 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 . 1 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 . 12 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 60 0, 0.0 159,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.6 17.1 16.4 24.4 2 2 A E E +A 159 0A 79 157,-0.2 126,-1.0 155,-0.1 2,-0.4 -0.402 360.0 169.1 -62.8 113.6 18.3 13.1 22.8 3 3 A L E -Ab 158 128A 1 155,-2.3 155,-2.4 -2,-0.4 2,-0.5 -0.990 23.8-148.2-125.2 132.5 19.7 10.9 25.5 4 4 A W E -Ab 157 129A 23 124,-2.9 126,-3.3 -2,-0.4 2,-0.6 -0.849 10.1-164.4 -99.5 131.1 20.6 7.2 25.1 5 5 A L E -Ab 156 130A 1 151,-3.1 151,-2.3 -2,-0.5 2,-0.6 -0.959 6.0-167.9-115.2 116.5 20.2 5.0 28.1 6 6 A V E -Ab 155 131A 0 124,-3.2 126,-2.7 -2,-0.6 2,-0.5 -0.915 12.8-147.5-110.1 122.5 21.9 1.6 27.9 7 7 A R E - b 0 132A 47 147,-2.5 146,-1.6 -2,-0.6 126,-0.2 -0.730 32.4-116.2 -83.5 124.3 21.2 -1.2 30.4 8 8 A H - 0 0 4 124,-1.8 145,-1.3 -2,-0.5 146,-0.3 -0.041 39.8 -81.6 -62.2 167.2 24.4 -3.1 30.9 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.1 0.018 61.8 -67.3 -65.1 174.4 24.6 -6.8 29.9 10 10 A E - 0 0 21 142,-0.2 18,-2.5 20,-0.1 21,-0.3 -0.306 45.8-164.2 -67.0 139.3 23.3 -9.7 31.9 11 11 A T B > -F 27 0B 0 16,-0.2 4,-1.9 -3,-0.1 5,-0.2 -0.811 38.2-102.0-113.1 164.4 25.0 -10.7 35.1 12 12 A L H > S+ 0 0 91 14,-0.6 4,-2.1 -2,-0.3 5,-0.1 0.912 124.7 47.4 -48.3 -43.3 24.6 -14.0 37.0 13 13 A W H >>S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-1.8 0.869 105.4 56.4 -71.0 -37.7 22.1 -12.3 39.4 14 14 A N H 45S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.852 112.3 46.3 -57.8 -32.2 20.1 -10.6 36.6 15 15 A R H <5S+ 0 0 168 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.0 43.0 -77.6 -39.8 19.6 -14.2 35.3 16 16 A E H <5S- 0 0 96 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.626 110.8-113.3 -83.8 -13.4 18.8 -15.7 38.7 17 17 A G T <5 + 0 0 36 -4,-2.0 68,-2.4 1,-0.3 2,-0.4 0.846 66.1 141.1 84.9 32.9 16.4 -13.0 39.9 18 18 A R B < -G 84 0C 96 -5,-1.8 -1,-0.3 66,-0.2 66,-0.2 -0.870 60.1-101.8-106.4 143.0 18.5 -11.7 42.8 19 19 A L - 0 0 21 64,-2.5 63,-3.2 -2,-0.4 2,-0.5 -0.448 38.0-166.2 -66.9 132.4 18.6 -8.0 43.5 20 20 A L + 0 0 12 61,-0.2 55,-0.1 -2,-0.2 61,-0.1 -0.976 26.9 136.7-125.6 118.2 21.8 -6.4 42.2 21 21 A G S S- 0 0 0 -2,-0.5 53,-0.4 53,-0.1 55,-0.2 0.496 78.9 -10.8-121.3 -94.4 22.8 -2.9 43.3 22 22 A W S S+ 0 0 78 51,-0.1 2,-0.2 2,-0.1 54,-0.1 0.509 93.0 119.1 -93.9 -4.7 26.3 -1.9 44.3 23 23 A T S S- 0 0 44 1,-0.1 2,-1.8 29,-0.1 59,-0.1 -0.468 70.1-130.8 -60.3 125.2 27.7 -5.4 44.5 24 24 A D + 0 0 82 -2,-0.2 -1,-0.1 29,-0.1 -2,-0.1 -0.316 43.0 165.7 -81.5 57.1 30.4 -5.2 41.8 25 25 A L - 0 0 37 -2,-1.8 29,-0.6 1,-0.1 2,-0.1 -0.374 30.8-122.7 -72.7 150.5 29.5 -8.4 39.8 26 26 A P - 0 0 77 0, 0.0 -14,-0.6 0, 0.0 2,-0.1 -0.439 29.2 -92.8 -90.0 165.2 30.9 -9.0 36.4 27 27 A L B -F 11 0B 18 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.1 -0.423 38.9-122.6 -72.0 149.8 29.1 -9.6 33.1 28 28 A T > - 0 0 31 -18,-2.5 4,-1.7 -2,-0.1 5,-0.2 -0.327 36.3 -96.3 -81.1 175.6 28.4 -13.2 32.1 29 29 A A H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.922 130.9 47.8 -60.0 -42.7 29.7 -14.3 28.8 30 30 A E H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.871 106.2 59.0 -65.9 -35.4 26.3 -13.6 27.2 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.867 106.0 47.7 -60.6 -37.2 26.4 -10.2 28.9 32 32 A E H X S+ 0 0 51 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.875 109.2 53.7 -70.8 -37.4 29.6 -9.4 27.1 33 33 A A H X S+ 0 0 22 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.892 105.8 53.3 -63.4 -39.7 28.1 -10.6 23.8 34 34 A Q H < S+ 0 0 38 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.892 110.5 47.5 -62.5 -37.9 25.1 -8.3 24.4 35 35 A A H >X S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 4,-0.5 0.898 108.2 53.9 -70.9 -40.3 27.5 -5.4 24.9 36 36 A R H >< S+ 0 0 117 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.861 99.9 62.4 -63.1 -34.0 29.6 -6.2 21.8 37 37 A R T 3< S+ 0 0 153 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.671 97.5 59.7 -65.6 -15.3 26.4 -6.2 19.7 38 38 A L T X> S+ 0 0 9 -3,-1.3 4,-1.7 -4,-0.4 3,-1.7 0.694 77.8 107.4 -85.4 -20.1 26.0 -2.5 20.5 39 39 A K T << S+ 0 0 141 -3,-1.2 24,-0.2 -4,-0.5 23,-0.1 -0.406 94.1 6.4 -63.6 128.8 29.4 -1.5 19.0 40 40 A G T 34 S+ 0 0 82 22,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.242 119.1 79.8 83.6 -14.2 28.8 0.4 15.8 41 41 A A T <4 S+ 0 0 60 -3,-1.7 -2,-0.2 21,-0.1 -3,-0.1 0.823 80.0 67.7 -92.4 -37.7 25.0 0.4 16.4 42 42 A L S < S- 0 0 10 -4,-1.7 -2,-0.2 20,-0.2 2,-0.1 -0.487 96.6 -96.9 -81.4 154.5 24.8 3.3 18.9 43 43 A P - 0 0 36 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 -0.408 35.0-111.3 -70.3 148.4 25.6 6.9 17.8 44 44 A S + 0 0 124 -4,-0.1 3,-0.1 -2,-0.1 19,-0.0 -0.376 66.5 144.9 -79.2 62.3 29.1 8.1 18.5 45 45 A L - 0 0 42 -2,-2.3 83,-0.2 1,-0.2 84,-0.1 -0.526 63.6 -72.8 -96.1 165.0 28.0 10.6 21.2 46 46 A P - 0 0 76 0, 0.0 83,-2.7 0, 0.0 2,-0.4 -0.318 57.4-141.2 -55.4 139.8 29.9 11.6 24.3 47 47 A A E -c 129 0A 15 81,-0.2 20,-1.4 18,-0.2 2,-0.4 -0.894 22.6-179.1-114.0 139.2 29.7 8.6 26.7 48 48 A F E -cd 130 67A 24 81,-2.3 83,-2.7 -2,-0.4 2,-0.3 -0.971 13.5-169.0-129.2 143.5 29.2 8.6 30.5 49 49 A S E -cd 131 68A 0 18,-2.4 20,-3.2 -2,-0.4 23,-0.2 -0.969 29.7-106.0-140.3 153.7 29.1 5.5 32.5 50 50 A S - 0 0 0 81,-2.4 21,-0.0 -2,-0.3 6,-0.0 -0.379 36.9-127.1 -63.6 153.7 28.3 4.2 36.0 51 51 A D S S+ 0 0 41 18,-0.4 -1,-0.1 17,-0.1 2,-0.1 0.520 75.4 112.3 -86.6 -2.9 31.6 3.3 37.7 52 52 A L S >> S- 0 0 6 1,-0.1 4,-2.2 18,-0.1 3,-1.0 -0.457 79.7-115.3 -69.8 142.0 30.6 -0.2 38.5 53 53 A L H 3> S+ 0 0 58 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.839 111.0 52.4 -43.4 -53.7 32.5 -2.9 36.6 54 54 A R H 3> S+ 0 0 1 -29,-0.6 4,-1.3 1,-0.2 -45,-0.4 0.821 112.5 46.2 -58.8 -33.4 29.6 -4.3 34.6 55 55 A A H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.930 113.6 47.5 -75.0 -46.7 28.6 -0.8 33.3 56 56 A R H X S+ 0 0 87 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.893 112.9 49.7 -58.5 -44.2 32.2 0.2 32.4 57 57 A R H X S+ 0 0 66 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.844 108.3 52.6 -65.5 -37.2 32.8 -3.1 30.6 58 58 A T H X S+ 0 0 0 -4,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.951 110.5 48.4 -64.2 -46.4 29.6 -2.7 28.6 59 59 A A H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 4,-0.3 0.925 112.8 48.3 -58.3 -46.3 30.7 0.7 27.5 60 60 A E H ><5S+ 0 0 113 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.942 112.5 46.5 -60.2 -50.9 34.2 -0.6 26.6 61 61 A L H 3<5S+ 0 0 21 -4,-2.7 -22,-0.3 1,-0.3 -1,-0.2 0.774 107.3 59.3 -64.5 -26.1 32.8 -3.5 24.6 62 62 A A T 3<5S- 0 0 2 -4,-1.9 -22,-0.6 -5,-0.2 -1,-0.3 0.484 125.3-102.9 -80.6 -3.6 30.3 -1.1 22.9 63 63 A G T < 5S+ 0 0 45 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.674 79.6 121.9 93.3 18.4 33.3 0.9 21.6 64 64 A F < - 0 0 29 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.738 53.1-149.0-113.5 163.0 33.3 3.8 24.0 65 65 A S - 0 0 128 -2,-0.3 -18,-0.2 -18,-0.0 -5,-0.0 -0.760 35.6-172.9-125.9 76.0 35.8 5.4 26.4 66 66 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.285 26.4-119.5 -77.0 153.2 33.4 6.8 29.0 67 67 A R E -d 48 0A 159 -20,-1.4 -18,-2.4 -2,-0.0 2,-0.5 -0.743 38.4-115.4 -82.8 143.5 34.1 9.0 32.0 68 68 A L E +d 49 0A 87 -2,-0.3 -18,-0.2 -20,-0.2 -17,-0.1 -0.695 34.9 179.3 -91.8 125.7 33.1 7.3 35.2 69 69 A Y > - 0 0 56 -20,-3.2 3,-1.6 -2,-0.5 -18,-0.4 -0.967 24.5-156.8-126.9 122.2 30.3 8.8 37.3 70 70 A P G > S+ 0 0 66 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.788 90.9 74.2 -62.8 -26.1 28.9 7.4 40.6 71 71 A E G 3 S+ 0 0 75 1,-0.3 49,-0.2 45,-0.1 -21,-0.1 0.684 90.6 58.1 -61.4 -18.0 25.6 9.2 40.0 72 72 A L G < S+ 0 0 0 -3,-1.6 61,-0.4 -23,-0.2 -22,-0.3 0.353 81.8 120.1 -94.0 4.3 24.8 6.6 37.3 73 73 A R S < S- 0 0 55 -3,-2.0 60,-0.1 -24,-0.1 3,-0.1 -0.231 72.2-101.1 -66.9 159.5 25.0 3.6 39.7 74 74 A E - 0 0 19 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.269 58.9 -76.0 -69.0 165.5 22.2 1.3 40.3 75 75 A I - 0 0 5 -55,-0.1 2,-0.7 1,-0.1 -1,-0.2 -0.337 49.1-111.5 -63.6 148.5 20.4 1.9 43.6 76 76 A H - 0 0 55 -55,-0.2 32,-2.3 1,-0.1 -1,-0.1 -0.767 28.9-167.2 -83.1 116.3 22.3 0.7 46.6 77 77 A F > - 0 0 12 -2,-0.7 3,-2.5 1,-0.2 30,-0.3 0.582 14.1-171.5 -81.8 -9.2 20.2 -2.3 47.9 78 78 A G G > S+ 0 0 17 1,-0.3 3,-1.7 28,-0.3 28,-0.2 -0.341 74.2 6.8 58.5-122.5 22.0 -2.5 51.3 79 79 A A G 3 S+ 0 0 77 26,-2.9 -1,-0.3 1,-0.3 27,-0.1 0.686 129.7 63.7 -65.3 -17.4 20.9 -5.6 53.1 80 80 A L G X + 0 0 14 -3,-2.5 3,-2.7 25,-0.4 -61,-0.3 0.520 69.5 125.8 -86.1 -4.2 18.9 -6.6 50.0 81 81 A E T < S+ 0 0 38 -3,-1.7 -61,-0.2 1,-0.3 3,-0.1 -0.357 87.7 3.7 -55.9 125.0 22.0 -6.9 47.9 82 82 A G T 3 S+ 0 0 11 -63,-3.2 -1,-0.3 1,-0.2 2,-0.1 0.439 94.5 149.7 78.0 0.6 21.9 -10.4 46.4 83 83 A A < - 0 0 26 -3,-2.7 -64,-2.5 -64,-0.2 2,-0.3 -0.429 50.7-116.0 -70.2 137.4 18.5 -11.2 47.9 84 84 A L B -G 18 0C 46 -66,-0.2 4,-0.4 1,-0.2 3,-0.4 -0.554 11.4-138.8 -75.1 133.0 16.2 -13.5 46.0 85 85 A W S > S+ 0 0 80 -68,-2.4 3,-1.4 -2,-0.3 -1,-0.2 0.892 98.8 68.5 -56.1 -38.5 13.1 -11.9 44.7 86 86 A E T 3 S+ 0 0 138 -69,-0.3 -1,-0.2 1,-0.3 -68,-0.0 0.894 110.3 27.9 -45.4 -56.9 11.2 -15.1 45.7 87 87 A T T 3 S+ 0 0 109 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.194 88.9 132.6 -96.9 15.0 11.6 -14.7 49.5 88 88 A L S < S- 0 0 12 -3,-1.4 5,-0.1 -4,-0.4 -3,-0.0 -0.353 74.4 -90.5 -66.1 145.9 11.8 -10.9 49.6 89 89 A D >> - 0 0 87 1,-0.2 4,-2.0 4,-0.1 3,-1.2 -0.400 37.3-125.2 -56.9 127.9 9.6 -9.3 52.2 90 90 A P H 3> S+ 0 0 80 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.803 109.3 63.1 -46.2 -33.8 6.3 -8.7 50.4 91 91 A R H 3> S+ 0 0 167 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.928 108.0 40.0 -59.5 -46.0 6.5 -5.0 51.4 92 92 A Y H <> S+ 0 0 39 -3,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.847 112.8 56.0 -72.4 -34.8 9.7 -4.6 49.4 93 93 A K H X S+ 0 0 57 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.951 111.5 42.8 -62.0 -47.8 8.4 -6.7 46.5 94 94 A E H X S+ 0 0 94 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.897 112.1 54.8 -64.8 -40.9 5.4 -4.5 46.1 95 95 A A H X>S+ 0 0 12 -4,-2.0 5,-1.8 -5,-0.3 4,-0.8 0.906 110.9 45.1 -59.6 -43.3 7.5 -1.4 46.5 96 96 A L H <5S+ 0 0 19 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.832 109.6 54.6 -71.0 -33.9 9.8 -2.4 43.7 97 97 A L H <5S+ 0 0 108 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.922 116.8 36.6 -65.3 -46.2 7.0 -3.5 41.4 98 98 A R H <5S- 0 0 134 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.628 103.4-139.3 -77.8 -15.2 5.3 -0.1 41.7 99 99 A F T <5 + 0 0 12 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.937 64.2 103.1 55.1 48.7 8.8 1.5 41.8 100 100 A Q < + 0 0 113 -5,-1.8 -1,-0.2 1,-0.2 -2,-0.2 -0.994 66.0 14.6-158.6 152.5 7.7 4.0 44.5 101 101 A G S S+ 0 0 80 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.950 82.2 141.7 45.9 73.0 8.0 4.6 48.2 102 102 A F + 0 0 13 -3,-0.1 8,-2.7 -7,-0.1 9,-0.2 -0.940 31.6 178.7-151.5 121.9 10.8 2.2 48.8 103 103 A H - 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