==== 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 2P2Y . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,Y.MORIKAWA,M.TAKETA,Y.MATSUURA,N.KUNISHIMA,RIKEN . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 10.0 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 . 14 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 0 2 2 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 75 0, 0.0 159,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 126.4 18.3 16.1 24.8 2 2 A E E +A 159 0A 78 157,-0.2 126,-1.1 155,-0.1 2,-0.4 -0.607 360.0 177.9 -72.5 123.8 18.8 12.8 23.0 3 3 A L E -Ab 158 128A 1 155,-2.8 155,-2.6 -2,-0.5 2,-0.7 -0.987 20.5-153.9-133.2 126.3 20.1 10.2 25.5 4 4 A W E -Ab 157 129A 25 124,-2.7 126,-3.8 -2,-0.4 2,-0.6 -0.868 12.2-163.4 -98.7 116.7 21.0 6.6 24.8 5 5 A M E -Ab 156 130A 2 151,-3.0 151,-2.0 -2,-0.7 2,-0.5 -0.901 4.8-166.4-106.0 119.4 20.7 4.5 27.9 6 6 A V E -Ab 155 131A 0 124,-3.3 126,-2.6 -2,-0.6 2,-0.4 -0.903 12.5-144.7-107.6 124.7 22.3 1.1 27.7 7 7 A R E - b 0 132A 50 147,-2.9 146,-0.8 -2,-0.5 126,-0.2 -0.744 32.2-112.3 -85.5 131.7 21.7 -1.6 30.3 8 8 A H - 0 0 5 124,-1.8 145,-1.2 -2,-0.4 146,-0.2 -0.173 41.9 -89.2 -60.0 158.1 24.8 -3.6 30.9 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.2 0.010 59.7 -61.0 -64.2 173.8 24.9 -7.2 29.7 10 10 A E - 0 0 23 142,-0.2 18,-2.7 20,-0.1 21,-0.3 -0.222 47.8-171.3 -58.7 135.0 23.8 -10.3 31.7 11 11 A T B > -F 27 0B 0 16,-0.3 4,-1.6 -3,-0.1 3,-0.4 -0.811 42.1-100.4-115.5 168.1 25.5 -11.2 34.9 12 12 A L H > S+ 0 0 87 14,-0.5 4,-2.4 -2,-0.3 5,-0.1 0.879 124.0 50.0 -56.3 -35.6 24.9 -14.4 36.9 13 13 A W H >>S+ 0 0 49 2,-0.2 5,-2.4 1,-0.2 4,-0.6 0.834 104.7 54.3 -73.8 -31.4 22.6 -12.6 39.3 14 14 A N H 45S+ 0 0 50 -3,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.809 115.5 44.9 -68.7 -26.6 20.5 -11.0 36.5 15 15 A R H <5S+ 0 0 172 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.9 42.0 -82.9 -40.8 20.1 -14.6 35.4 16 16 A E H <5S- 0 0 95 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.294 113.3-108.8 -90.8 7.6 19.4 -16.3 38.7 17 17 A G T <5 + 0 0 37 -4,-0.6 68,-2.3 1,-0.2 2,-0.4 0.978 67.1 144.9 64.4 56.7 17.0 -13.6 40.0 18 18 A R B < -G 84 0C 95 -5,-2.4 -1,-0.2 66,-0.2 66,-0.2 -0.996 57.7-103.8-128.5 131.4 19.3 -12.0 42.7 19 19 A L - 0 0 15 64,-2.4 63,-3.0 -2,-0.4 2,-0.5 -0.319 39.4-167.7 -55.6 125.1 19.3 -8.3 43.5 20 20 A L + 0 0 12 61,-0.2 55,-0.1 62,-0.1 61,-0.1 -0.964 27.8 131.9-122.9 115.2 22.4 -6.8 42.0 21 21 A G S S- 0 0 0 -2,-0.5 53,-0.4 53,-0.1 55,-0.2 0.499 78.8 -9.6-122.8 -93.3 23.5 -3.3 43.0 22 22 A W S S+ 0 0 84 51,-0.1 2,-0.1 56,-0.1 54,-0.1 0.531 94.0 116.3 -93.1 -8.9 27.0 -2.2 44.1 23 23 A T S S- 0 0 46 1,-0.1 2,-1.6 29,-0.1 59,-0.1 -0.454 73.2-128.8 -58.8 129.7 28.3 -5.8 44.2 24 24 A D + 0 0 84 -2,-0.1 -1,-0.1 29,-0.1 -2,-0.1 -0.342 42.4 168.8 -84.3 58.3 31.0 -5.6 41.5 25 25 A L - 0 0 36 -2,-1.6 29,-0.6 1,-0.1 2,-0.1 -0.395 29.3-126.6 -70.8 146.4 29.9 -8.7 39.6 26 26 A P - 0 0 71 0, 0.0 -14,-0.5 0, 0.0 -1,-0.1 -0.479 29.3 -95.1 -88.9 162.3 31.4 -9.4 36.1 27 27 A L B -F 11 0B 16 -16,-0.1 -16,-0.3 -2,-0.1 -17,-0.1 -0.391 39.0-120.2 -71.4 153.8 29.4 -10.0 33.0 28 28 A T > - 0 0 30 -18,-2.7 4,-2.0 1,-0.1 5,-0.1 -0.275 35.5 -95.3 -81.8 179.8 28.8 -13.6 32.0 29 29 A A H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.904 131.2 46.6 -64.4 -40.5 30.1 -14.9 28.6 30 30 A E H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.870 108.1 56.9 -68.9 -34.6 26.7 -14.2 27.1 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.887 106.9 48.9 -62.0 -38.0 26.7 -10.8 28.8 32 32 A E H X S+ 0 0 64 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.868 109.6 52.0 -68.0 -37.3 30.0 -10.0 27.0 33 33 A A H X S+ 0 0 27 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.848 106.1 53.9 -67.6 -35.8 28.5 -11.2 23.7 34 34 A Q H X S+ 0 0 33 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.915 109.5 49.1 -64.6 -41.6 25.5 -8.9 24.2 35 35 A A H >X S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.6 0.946 108.8 52.2 -63.3 -47.1 27.9 -6.0 24.7 36 36 A R H >< S+ 0 0 146 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.882 101.7 60.3 -57.9 -38.5 29.9 -6.9 21.6 37 37 A R H 3< S+ 0 0 117 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.725 97.2 61.7 -63.3 -19.0 26.7 -6.9 19.5 38 38 A L H XX S+ 0 0 0 -3,-1.5 3,-2.1 -4,-0.7 4,-1.2 0.703 77.3 108.3 -78.8 -19.4 26.2 -3.2 20.4 39 39 A K T << S+ 0 0 143 -3,-1.5 24,-0.2 -4,-0.6 23,-0.1 -0.419 94.1 5.2 -64.2 124.5 29.4 -2.2 18.7 40 40 A G T 34 S+ 0 0 80 22,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.334 116.4 84.5 84.9 -7.6 28.6 -0.3 15.5 41 41 A A T <4 S+ 0 0 45 -3,-2.1 -2,-0.2 21,-0.1 -3,-0.1 0.680 79.9 64.6 -97.9 -22.8 24.9 -0.4 16.3 42 42 A L S < S- 0 0 7 -4,-1.2 -2,-0.2 20,-0.2 87,-0.1 -0.757 99.1 -94.0-101.4 148.8 24.7 2.6 18.6 43 43 A P - 0 0 47 0, 0.0 2,-2.7 0, 0.0 -2,-0.1 -0.360 39.7-117.6 -59.3 135.6 25.5 6.2 17.5 44 44 A S + 0 0 117 -4,-0.1 3,-0.1 84,-0.0 19,-0.0 -0.306 62.0 148.4 -75.6 61.3 29.1 7.0 18.1 45 45 A L - 0 0 46 -2,-2.7 83,-0.1 1,-0.2 84,-0.0 -0.385 61.2 -72.4 -88.0 168.5 28.4 9.8 20.6 46 46 A P - 0 0 78 0, 0.0 83,-2.0 0, 0.0 2,-0.4 -0.376 59.0-134.4 -61.5 142.1 30.6 10.7 23.6 47 47 A A E -c 129 0A 10 18,-0.3 20,-1.8 81,-0.2 2,-0.4 -0.817 24.0-176.4-110.6 144.4 30.2 8.0 26.2 48 48 A F E -cd 130 67A 25 81,-2.3 83,-2.7 -2,-0.4 2,-0.3 -0.963 15.3-172.0-127.5 143.6 29.7 8.0 30.0 49 49 A S E -cd 131 68A 0 18,-2.3 20,-3.2 -2,-0.4 23,-0.2 -0.984 30.3-106.5-143.7 153.5 29.6 4.9 32.2 50 50 A S - 0 0 0 81,-2.3 21,-0.0 -2,-0.3 6,-0.0 -0.376 36.6-125.8 -64.8 154.8 28.9 3.7 35.7 51 51 A D S S+ 0 0 38 18,-0.3 -1,-0.1 17,-0.1 2,-0.1 0.597 76.3 111.0 -84.0 -10.0 32.3 2.8 37.4 52 52 A L S >> S- 0 0 3 1,-0.1 4,-2.1 18,-0.1 3,-1.4 -0.423 80.2-116.5 -66.4 137.3 31.1 -0.7 38.3 53 53 A L H 3> S+ 0 0 61 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.836 110.3 55.1 -39.8 -54.7 33.1 -3.3 36.3 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.5 1,-0.2 -45,-0.4 0.807 111.9 44.9 -55.5 -32.8 30.1 -4.8 34.4 55 55 A A H <> S+ 0 0 0 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.914 114.1 47.9 -77.3 -45.3 29.2 -1.3 33.0 56 56 A R H X S+ 0 0 86 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.917 112.3 50.3 -60.9 -43.6 32.7 -0.4 32.1 57 57 A R H X S+ 0 0 68 -4,-3.3 4,-2.9 -5,-0.2 5,-0.3 0.903 107.7 52.6 -62.5 -43.1 33.2 -3.7 30.4 58 58 A T H X S+ 0 0 0 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.936 109.7 49.9 -59.6 -44.2 30.0 -3.3 28.4 59 59 A A H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 -2,-0.2 0.937 112.2 47.5 -57.6 -50.2 31.2 0.1 27.2 60 60 A E H ><5S+ 0 0 119 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.940 112.9 46.9 -57.7 -51.7 34.6 -1.3 26.2 61 61 A L H 3<5S+ 0 0 8 -4,-2.9 -1,-0.2 1,-0.3 -22,-0.2 0.807 107.7 57.6 -62.3 -30.4 33.1 -4.3 24.3 62 62 A A T 3<5S- 0 0 2 -4,-2.0 -22,-0.5 -5,-0.3 -1,-0.3 0.354 126.0-100.6 -82.7 6.2 30.6 -2.0 22.5 63 63 A G T < 5S+ 0 0 43 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.701 79.7 125.8 85.6 22.0 33.5 0.1 21.2 64 64 A F < - 0 0 24 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.794 51.9-151.3-117.1 160.0 33.5 3.0 23.5 65 65 A S - 0 0 121 -2,-0.3 -18,-0.3 2,-0.0 2,-0.1 -0.789 34.5-171.4-122.5 78.5 35.9 4.8 25.9 66 66 A P - 0 0 28 0, 0.0 2,-0.6 0, 0.0 -18,-0.3 -0.313 27.5-118.6 -77.5 153.1 33.6 6.2 28.6 67 67 A R E -d 48 0A 151 -20,-1.8 -18,-2.3 -2,-0.1 2,-0.4 -0.828 38.7-121.3 -84.3 124.5 34.3 8.6 31.4 68 68 A L E +d 49 0A 88 -2,-0.6 -18,-0.2 -20,-0.2 -17,-0.1 -0.536 36.4 174.6 -75.1 127.3 33.6 6.8 34.6 69 69 A Y > - 0 0 69 -20,-3.2 3,-1.8 -2,-0.4 -18,-0.3 -0.970 27.2-153.0-135.8 119.4 30.9 8.4 36.9 70 70 A P G > S+ 0 0 67 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.743 90.7 74.8 -59.7 -26.5 29.5 6.8 40.1 71 71 A E G 3 S+ 0 0 76 1,-0.3 49,-0.2 45,-0.1 -21,-0.1 0.632 89.2 61.4 -63.9 -11.5 26.2 8.6 39.7 72 72 A L G < S+ 0 0 1 -3,-1.8 61,-0.5 -23,-0.2 -22,-0.3 0.353 81.3 119.2 -95.1 4.1 25.4 6.1 37.0 73 73 A R S < S- 0 0 53 -3,-2.2 3,-0.1 59,-0.1 -51,-0.1 -0.263 72.8-102.9 -67.9 156.7 25.6 3.2 39.4 74 74 A E - 0 0 19 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.235 58.2 -75.8 -67.7 167.6 22.7 0.9 40.1 75 75 A I - 0 0 5 -55,-0.1 2,-0.6 1,-0.1 -1,-0.2 -0.373 50.1-112.9 -66.5 147.0 21.0 1.6 43.4 76 76 A H - 0 0 44 -55,-0.2 32,-2.0 1,-0.1 -1,-0.1 -0.767 25.0-164.9 -83.9 122.6 22.9 0.2 46.4 77 77 A F > - 0 0 12 -2,-0.6 3,-2.4 1,-0.2 30,-0.4 0.490 16.5-168.5 -86.2 -3.4 20.9 -2.6 48.0 78 78 A G G > S+ 0 0 14 28,-0.4 3,-1.7 1,-0.3 28,-0.3 -0.282 73.3 5.2 55.0-124.8 22.9 -2.6 51.2 79 79 A A G 3 S+ 0 0 82 26,-4.0 -1,-0.3 1,-0.3 27,-0.1 0.708 131.1 61.7 -63.4 -19.7 22.1 -5.7 53.3 80 80 A L G X + 0 0 26 -3,-2.4 3,-1.9 25,-0.3 -1,-0.3 0.281 69.0 129.6 -92.0 9.3 20.0 -7.0 50.4 81 81 A E T < S+ 0 0 36 -3,-1.7 -61,-0.2 1,-0.3 3,-0.1 -0.467 84.7 9.2 -62.7 132.8 22.8 -7.2 47.9 82 82 A G T 3 S+ 0 0 7 -63,-3.0 -1,-0.3 1,-0.2 -62,-0.1 0.368 92.9 155.9 78.1 -6.9 22.6 -10.7 46.3 83 83 A A < - 0 0 25 -3,-1.9 -64,-2.4 -65,-0.1 2,-0.4 -0.267 49.6-113.0 -57.6 134.4 19.3 -11.4 48.1 84 84 A L B > -G 18 0C 48 -66,-0.2 4,-0.5 1,-0.2 3,-0.4 -0.547 16.0-143.8 -72.1 124.3 17.2 -14.0 46.3 85 85 A W T >4 S+ 0 0 73 -68,-2.3 3,-1.4 -2,-0.4 -1,-0.2 0.900 96.3 64.0 -55.8 -41.0 14.1 -12.4 44.9 86 86 A E T 34 S+ 0 0 145 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.900 113.0 31.0 -48.1 -53.0 12.1 -15.5 45.7 87 87 A T T 34 S+ 0 0 106 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.262 87.5 132.1 -93.8 10.8 12.5 -15.2 49.4 88 88 A L S << S- 0 0 10 -3,-1.4 5,-0.1 -4,-0.5 -3,-0.0 -0.411 74.5 -93.6 -64.9 135.4 12.7 -11.4 49.5 89 89 A D >> - 0 0 73 1,-0.2 4,-2.1 -2,-0.1 3,-1.0 -0.274 35.1-122.6 -51.7 125.9 10.4 -10.0 52.2 90 90 A P H 3> S+ 0 0 79 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.799 109.8 60.2 -40.4 -38.8 7.1 -9.2 50.5 91 91 A R H 3> S+ 0 0 158 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.953 109.1 40.9 -61.6 -46.6 7.3 -5.6 51.6 92 92 A Y H <> S+ 0 0 57 -3,-1.0 4,-3.0 2,-0.2 5,-0.2 0.952 115.0 52.3 -64.0 -46.5 10.6 -5.0 49.7 93 93 A K H X S+ 0 0 54 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 112.4 45.6 -54.6 -48.2 9.3 -7.0 46.7 94 94 A E H X S+ 0 0 98 -4,-3.1 4,-2.5 -5,-0.2 5,-0.3 0.952 114.3 47.4 -59.6 -53.2 6.2 -4.9 46.6 95 95 A A H X>S+ 0 0 15 -4,-2.6 5,-2.0 -5,-0.2 4,-1.2 0.861 113.6 48.7 -57.7 -38.6 8.0 -1.6 47.0 96 96 A L H <5S+ 0 0 22 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.844 111.7 48.6 -72.6 -33.3 10.5 -2.7 44.3 97 97 A L H <5S+ 0 0 108 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.866 117.0 41.6 -73.2 -36.0 7.8 -3.7 41.9 98 98 A R H <5S- 0 0 148 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.689 106.0-134.9 -80.3 -21.0 5.9 -0.4 42.4 99 99 A F T <5 + 0 0 12 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.973 68.3 92.1 61.6 59.1 9.3 1.4 42.3 100 100 A Q < + 0 0 117 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.2 -0.936 69.7 24.3-173.0 151.2 8.5 3.5 45.4 101 101 A G S S+ 0 0 84 -2,-0.3 2,-0.5 1,-0.2 -6,-0.1 0.887 81.3 140.0 54.6 42.9 8.9 3.7 49.1 102 102 A F + 0 0 4 -7,-0.2 8,-2.1 -8,-0.1 9,-0.2 -0.971 19.5 160.0-122.9 122.8 11.9 1.3 49.0 103 103 A H - 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