==== 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 19-MAR-07 2P6O . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.YAMAMOTO,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) . 15145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 70.1 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 . 26 7.6 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 1 1 0 0 0 5 3 0 0 0 2 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 65 0, 0.0 159,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.4 32.5 7.0 8.6 2 2 A E E +A 159 0A 85 157,-0.2 126,-0.8 155,-0.1 2,-0.4 -0.468 360.0 171.4 -67.4 122.0 30.2 9.4 6.8 3 3 A L E -Ab 158 128A 0 155,-2.6 155,-2.7 -2,-0.3 2,-0.5 -0.997 22.2-152.6-135.4 136.1 29.4 12.5 8.9 4 4 A W E -Ab 157 129A 39 124,-2.6 126,-3.9 -2,-0.4 2,-0.5 -0.936 12.6-165.0-108.8 126.0 27.5 15.7 7.9 5 5 A L E -Ab 156 130A 0 151,-3.1 151,-2.0 -2,-0.5 2,-0.5 -0.945 1.7-161.9-114.5 131.6 28.4 18.8 9.9 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-2.9 -2,-0.5 2,-0.6 -0.938 12.6-143.2-115.4 128.7 26.2 21.9 9.7 7 7 A R E - b 0 132A 58 147,-2.7 146,-1.6 -2,-0.5 147,-0.3 -0.806 36.3-114.0 -87.8 124.8 27.3 25.4 10.8 8 8 A H - 0 0 15 124,-2.0 145,-1.0 -2,-0.6 146,-0.2 -0.018 36.6 -87.3 -56.0 159.3 24.3 27.0 12.4 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.1 -0.117 60.0 -74.8 -62.1 167.2 22.6 30.0 10.9 10 10 A E - 0 0 22 142,-0.1 18,-2.3 20,-0.1 21,-0.3 -0.240 40.8-167.0 -70.1 152.8 23.8 33.5 11.6 11 11 A T >> - 0 0 2 16,-0.3 3,-1.5 -3,-0.1 4,-0.8 -0.691 44.8 -90.4-123.0 176.2 23.3 35.5 14.8 12 12 A M H 3> S+ 0 0 76 14,-0.5 4,-1.6 1,-0.3 5,-0.2 0.831 122.3 64.4 -62.7 -31.3 23.9 39.2 15.3 13 13 A W H 34>S+ 0 0 51 1,-0.2 5,-2.3 2,-0.2 4,-0.5 0.607 93.6 63.4 -71.3 -6.9 27.5 38.6 16.4 14 14 A N H X45S+ 0 0 69 -3,-1.5 3,-0.6 3,-0.2 -1,-0.2 0.950 108.4 37.4 -78.3 -51.3 28.3 37.3 12.9 15 15 A R H 3<5S+ 0 0 146 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.1 0.781 119.6 51.3 -69.5 -25.6 27.6 40.6 11.1 16 16 A E T 3<5S- 0 0 87 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.600 107.4-128.7 -86.3 -12.6 29.1 42.5 14.0 17 17 A G T < 5 + 0 0 33 -3,-0.6 68,-2.8 -4,-0.5 69,-0.4 0.906 53.5 147.6 67.3 44.5 32.3 40.4 13.9 18 18 A R B < -F 84 0B 90 -5,-2.3 2,-0.3 66,-0.2 66,-0.2 -0.892 56.7-102.6-112.6 142.6 32.4 39.4 17.6 19 19 A L - 0 0 16 64,-2.8 63,-3.0 -2,-0.4 2,-0.6 -0.468 39.0-166.4 -63.9 123.1 33.7 36.1 19.0 20 20 A L + 0 0 23 -2,-0.3 55,-0.1 61,-0.2 61,-0.1 -0.936 28.2 136.0-119.2 107.8 30.7 33.9 19.8 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.4 57,-0.1 55,-0.2 0.551 79.8 -11.9-112.7 -97.9 31.4 30.9 21.9 22 22 A W S S+ 0 0 93 51,-0.1 2,-0.4 56,-0.1 54,-0.1 0.441 96.4 117.7 -90.8 -0.2 29.2 29.8 24.8 23 23 A T - 0 0 45 1,-0.1 2,-1.4 29,-0.1 59,-0.1 -0.560 69.5-132.1 -65.4 125.5 27.3 33.1 24.8 24 24 A D + 0 0 83 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.560 39.9 164.2 -88.8 79.1 23.8 31.9 24.0 25 25 A L - 0 0 37 -2,-1.4 29,-0.6 1,-0.1 2,-0.1 -0.606 31.7-122.3 -93.0 153.4 22.5 34.2 21.3 26 26 A P - 0 0 75 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.430 32.6 -93.2 -89.0 166.6 19.5 33.5 19.1 27 27 A L - 0 0 15 -16,-0.2 -16,-0.3 -2,-0.1 2,-0.1 -0.412 38.3-123.6 -73.6 153.8 19.4 33.3 15.3 28 28 A T > - 0 0 18 -18,-2.3 4,-1.9 -2,-0.1 5,-0.2 -0.356 35.9 -95.1 -86.2 177.8 18.6 36.4 13.4 29 29 A A H > S+ 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.904 131.2 47.0 -60.9 -40.9 15.6 36.4 10.9 30 30 A E H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.836 107.1 57.8 -69.4 -33.1 18.1 35.6 8.1 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.874 107.3 47.3 -63.9 -37.2 19.7 33.0 10.3 32 32 A E H X S+ 0 0 51 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.852 109.8 53.1 -72.4 -34.0 16.4 31.3 10.5 33 33 A A H X S+ 0 0 22 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.907 107.9 51.0 -66.4 -40.9 15.9 31.6 6.7 34 34 A Q H X S+ 0 0 29 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.915 110.2 50.3 -61.6 -42.5 19.3 29.9 6.2 35 35 A A H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 4,-0.4 0.909 107.7 51.9 -63.1 -43.6 18.2 27.1 8.5 36 36 A R H >< S+ 0 0 126 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.835 101.2 62.4 -63.3 -31.9 14.9 26.5 6.7 37 37 A R H 3< S+ 0 0 87 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.714 94.0 63.5 -66.6 -19.6 16.7 26.3 3.4 38 38 A L T XX S+ 0 0 0 -3,-1.2 3,-2.3 -4,-0.6 4,-0.7 0.683 75.5 107.3 -77.5 -19.1 18.6 23.2 4.7 39 39 A K T <4 S+ 0 0 147 -3,-1.2 24,-0.1 -4,-0.4 23,-0.1 -0.462 91.8 12.5 -64.1 120.9 15.3 21.3 5.0 40 40 A G T 34 S+ 0 0 82 22,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.320 114.1 81.1 94.8 -7.7 15.4 18.7 2.2 41 41 A A T <4 S+ 0 0 33 -3,-2.3 -2,-0.2 21,-0.1 -3,-0.1 0.456 81.1 69.8-107.4 -5.3 19.0 19.3 1.4 42 42 A L S < S- 0 0 17 -4,-0.7 -2,-0.2 20,-0.2 87,-0.0 -0.860 89.4-102.1-113.6 149.6 20.4 17.1 4.2 43 43 A P - 0 0 35 0, 0.0 2,-2.2 0, 0.0 -2,-0.1 -0.318 34.0-109.9 -68.4 151.4 20.3 13.3 4.5 44 44 A S + 0 0 125 -4,-0.1 3,-0.1 84,-0.0 20,-0.0 -0.430 69.3 138.7 -81.2 66.2 17.8 11.6 6.8 45 45 A L - 0 0 45 -2,-2.2 83,-0.2 1,-0.1 84,-0.1 -0.623 66.1 -75.6-106.9 165.6 20.3 10.4 9.3 46 46 A P - 0 0 78 0, 0.0 83,-2.5 0, 0.0 2,-0.4 -0.338 57.2-138.6 -56.9 142.7 20.2 10.4 13.1 47 47 A A E +c 129 0A 14 81,-0.2 20,-2.1 18,-0.2 2,-0.4 -0.903 24.3 179.9-117.0 139.7 20.8 14.0 14.3 48 48 A F E -cd 130 67A 41 81,-2.4 83,-2.9 -2,-0.4 2,-0.3 -0.964 12.2-173.2-129.4 146.1 22.9 15.4 17.1 49 49 A S E -cd 131 68A 0 18,-2.2 20,-2.8 -2,-0.4 23,-0.2 -0.983 32.6-102.4-144.9 154.3 23.3 19.0 18.0 50 50 A S - 0 0 0 81,-2.2 6,-0.1 -2,-0.3 21,-0.0 -0.416 37.8-127.8 -63.3 148.8 25.1 21.4 20.2 51 51 A D S S+ 0 0 40 18,-0.2 -1,-0.1 4,-0.1 2,-0.1 0.583 74.7 113.4 -80.7 -8.2 22.7 22.4 23.0 52 52 A L S >> S- 0 0 7 1,-0.1 4,-2.4 4,-0.1 3,-1.0 -0.384 79.4-115.4 -65.4 140.9 23.2 26.1 22.4 53 53 A L H 3> S+ 0 0 54 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.832 110.5 53.5 -43.8 -51.5 20.1 27.9 21.1 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.2 1,-0.2 -45,-0.4 0.837 114.2 42.2 -59.3 -34.9 21.4 28.8 17.7 55 55 A A H <> S+ 0 0 0 -3,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.934 114.3 49.8 -76.3 -48.9 22.4 25.2 16.9 56 56 A R H X S+ 0 0 97 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 112.7 48.1 -54.6 -47.7 19.3 23.6 18.3 57 57 A R H X S+ 0 0 71 -4,-2.8 4,-2.8 -5,-0.2 -1,-0.2 0.860 108.2 54.1 -64.2 -37.3 17.0 26.0 16.4 58 58 A T H X S+ 0 0 0 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.932 109.5 48.6 -63.7 -42.1 18.9 25.4 13.1 59 59 A A H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 -2,-0.2 0.919 112.6 48.1 -62.1 -45.8 18.4 21.7 13.5 60 60 A E H ><5S+ 0 0 111 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.944 112.6 46.9 -61.3 -50.2 14.7 22.2 14.2 61 61 A L H 3<5S+ 0 0 23 -4,-2.8 -22,-0.2 1,-0.3 -1,-0.2 0.757 107.0 59.1 -64.7 -24.0 14.1 24.5 11.3 62 62 A A T 3<5S- 0 0 3 -4,-1.5 -22,-0.4 -5,-0.2 -1,-0.3 0.425 126.4-100.6 -83.2 -0.8 16.1 22.1 9.0 63 63 A G T < 5S+ 0 0 48 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.599 81.5 121.7 93.8 14.0 13.5 19.4 9.9 64 64 A F < - 0 0 34 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.663 51.3-154.1-109.4 164.0 15.4 17.4 12.6 65 65 A S - 0 0 124 -2,-0.2 -18,-0.2 2,-0.0 -5,-0.1 -0.691 35.9-171.0-133.1 73.5 14.7 16.5 16.2 66 66 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.193 26.7-117.6 -70.4 157.2 18.3 16.1 17.4 67 67 A R E -d 48 0A 163 -20,-2.1 -18,-2.2 2,-0.0 2,-0.4 -0.798 40.5-120.3 -90.2 137.3 19.7 14.7 20.7 68 68 A L E +d 49 0A 80 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.658 33.9 173.8 -90.5 134.5 21.6 17.4 22.4 69 69 A Y > - 0 0 57 -20,-2.8 3,-1.9 -2,-0.4 -18,-0.2 -0.967 25.7-154.8-136.9 118.2 25.3 17.1 23.3 70 70 A P G > S+ 0 0 64 0, 0.0 3,-2.1 0, 0.0 -20,-0.1 0.717 90.9 79.1 -64.7 -16.1 27.3 20.0 24.8 71 71 A E G 3 S+ 0 0 82 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.723 86.7 59.5 -62.7 -18.5 30.4 18.3 23.3 72 72 A L G < S+ 0 0 1 -3,-1.9 61,-0.4 -23,-0.2 -22,-0.3 0.331 83.2 121.6 -91.8 7.5 29.3 19.8 20.0 73 73 A R S < S- 0 0 49 -3,-2.1 3,-0.1 -24,-0.1 -51,-0.1 -0.254 71.0-100.6 -70.1 159.8 29.6 23.4 21.3 74 74 A E - 0 0 18 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.206 59.6 -74.4 -66.5 166.5 31.8 26.1 19.8 75 75 A I - 0 0 6 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.351 48.4-112.8 -65.2 147.6 35.0 26.7 21.7 76 76 A H - 0 0 50 -55,-0.2 32,-2.8 1,-0.1 -1,-0.1 -0.770 26.6-164.3 -84.2 112.1 34.6 28.6 25.0 77 77 A F > - 0 0 16 -2,-0.8 3,-2.2 1,-0.2 30,-0.2 0.498 16.5-164.4 -77.0 -3.5 36.3 31.9 24.4 78 78 A G G > S+ 0 0 11 28,-0.3 3,-2.1 1,-0.3 28,-0.2 -0.309 72.4 0.2 57.7-132.0 36.5 32.8 28.1 79 79 A A G 3 S+ 0 0 78 26,-3.0 -1,-0.3 1,-0.3 27,-0.1 0.707 130.8 66.2 -61.6 -19.2 37.2 36.5 28.7 80 80 A L G X + 0 0 21 -3,-2.2 3,-2.3 25,-0.3 -61,-0.3 0.447 68.6 125.6 -83.5 0.1 37.3 36.9 24.9 81 81 A E T < S+ 0 0 37 -3,-2.1 -61,-0.2 1,-0.3 -5,-0.0 -0.407 83.3 11.2 -58.1 131.3 33.5 36.1 24.6 82 82 A G T 3 S+ 0 0 11 -63,-3.0 -1,-0.3 1,-0.3 -62,-0.1 0.393 92.5 146.8 81.1 -4.1 32.0 39.0 22.7 83 83 A A < - 0 0 26 -3,-2.3 -64,-2.8 -64,-0.2 2,-0.3 -0.390 55.5-112.5 -68.4 140.1 35.3 40.5 21.7 84 84 A L B > -F 18 0B 49 -66,-0.2 3,-0.6 1,-0.2 4,-0.3 -0.594 17.4-142.4 -71.8 130.0 35.5 42.3 18.3 85 85 A W G > S+ 0 0 91 -68,-2.8 3,-1.8 -2,-0.3 -1,-0.2 0.930 98.5 63.7 -57.3 -45.2 37.8 40.2 16.0 86 86 A E G 3 S+ 0 0 140 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.814 108.9 36.5 -47.3 -42.5 39.0 43.5 14.6 87 87 A T G < S+ 0 0 96 -3,-0.6 -1,-0.3 2,-0.0 -2,-0.2 0.229 84.1 133.7-103.0 14.6 40.6 44.7 18.0 88 88 A L < - 0 0 10 -3,-1.8 -3,-0.0 -4,-0.3 5,-0.0 -0.370 67.6 -99.6 -63.2 140.7 41.8 41.3 19.2 89 89 A D >> - 0 0 76 1,-0.1 4,-2.5 4,-0.1 3,-1.0 -0.344 33.3-114.7 -62.1 140.4 45.3 41.4 20.6 90 90 A P H 3> S+ 0 0 91 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.825 114.0 59.1 -44.6 -42.5 47.8 40.0 18.0 91 91 A R H 3> S+ 0 0 158 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.922 112.9 39.0 -57.0 -43.9 48.7 37.0 20.1 92 92 A Y H <> S+ 0 0 28 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.886 115.2 52.7 -73.3 -40.4 45.1 35.9 20.1 93 93 A K H X S+ 0 0 56 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.937 112.1 43.8 -62.3 -48.1 44.5 36.9 16.4 94 94 A E H X S+ 0 0 120 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.905 111.8 54.9 -64.3 -39.7 47.5 34.9 15.1 95 95 A A H X>S+ 0 0 8 -4,-1.6 5,-2.4 -5,-0.4 4,-0.6 0.915 113.4 41.3 -59.2 -44.4 46.6 31.9 17.3 96 96 A L H <5S+ 0 0 12 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.888 115.1 50.1 -72.4 -39.3 43.1 31.8 15.9 97 97 A L H <5S+ 0 0 104 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.905 120.5 35.9 -64.6 -41.2 44.2 32.5 12.3 98 98 A R H <5S- 0 0 83 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.503 106.3-132.3 -88.5 -5.3 46.9 29.7 12.6 99 99 A F T <5 + 0 0 21 -4,-0.6 2,-0.3 -5,-0.2 -3,-0.2 0.950 67.2 105.9 52.6 57.7 44.6 27.6 14.7 100 100 A Q < + 0 0 38 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.983 65.2 12.8-162.7 150.9 47.3 26.9 17.3 101 101 A G S S+ 0 0 51 136,-0.5 2,-0.6 -2,-0.3 -6,-0.1 0.897 73.1 155.7 46.2 55.5 48.4 27.8 20.8 102 102 A F + 0 0 5 -7,-0.1 8,-2.2 -8,-0.1 9,-0.3 -0.941 8.3 156.6-114.4 113.0 45.2 29.5 21.8 103 103 A H - 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