==== 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 20-MAR-07 2P78 . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,M.TAKETA,Y.KAGEYAMA,Y.MATSUURA,N.KUNISHIMA,RIKEN . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 70.4 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 . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 27.6 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 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 76 0, 0.0 159,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.3 33.3 7.2 8.8 2 2 A E E +A 159 0A 80 157,-0.2 126,-1.1 155,-0.1 2,-0.4 -0.446 360.0 168.5 -67.3 119.0 30.7 9.5 7.2 3 3 A L E -Ab 158 128A 1 155,-2.3 155,-2.7 -2,-0.4 2,-0.6 -0.996 24.7-150.5-132.2 136.0 30.0 12.5 9.4 4 4 A W E -Ab 157 129A 36 124,-2.5 126,-3.9 -2,-0.4 2,-0.6 -0.924 12.3-162.3-108.0 113.7 28.1 15.6 8.5 5 5 A L E -Ab 156 130A 1 151,-3.0 151,-2.3 -2,-0.6 2,-0.5 -0.859 5.4-163.4 -99.3 125.9 29.3 18.7 10.4 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.1 -2,-0.6 2,-0.5 -0.924 12.2-145.3-112.5 126.0 26.8 21.6 10.4 7 7 A R E - b 0 132A 48 147,-2.6 146,-1.3 -2,-0.5 126,-0.2 -0.781 35.0-113.6 -86.1 127.4 27.8 25.1 11.4 8 8 A H - 0 0 5 124,-1.9 145,-0.9 -2,-0.5 146,-0.2 -0.104 37.4 -88.2 -58.6 158.9 24.9 26.7 13.1 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.2 -0.084 61.1 -71.3 -61.7 169.3 23.0 29.6 11.6 10 10 A E - 0 0 31 142,-0.2 18,-2.2 20,-0.1 21,-0.3 -0.230 42.7-168.6 -69.1 152.2 24.2 33.2 12.2 11 11 A T >> - 0 0 0 16,-0.2 4,-1.1 -3,-0.1 3,-0.8 -0.689 44.6 -90.8-123.7 176.5 23.8 35.1 15.4 12 12 A L H 3> S+ 0 0 87 14,-0.5 4,-2.1 1,-0.2 5,-0.2 0.839 124.5 56.8 -63.2 -33.4 24.4 38.9 16.0 13 13 A W H 3>>S+ 0 0 51 1,-0.2 5,-2.2 2,-0.2 4,-1.3 0.722 100.1 58.6 -72.9 -18.9 28.1 38.4 16.8 14 14 A N H <45S+ 0 0 47 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.2 0.848 111.6 41.2 -75.0 -34.1 28.6 36.7 13.5 15 15 A R H <5S+ 0 0 151 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.826 118.4 46.8 -75.5 -35.5 27.4 39.8 11.8 16 16 A E H <5S- 0 0 95 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.663 108.0-123.5 -83.3 -16.2 29.3 42.0 14.2 17 17 A G T <5 + 0 0 33 -4,-1.3 68,-2.9 1,-0.2 69,-0.4 0.913 56.9 147.9 76.1 40.7 32.5 40.1 14.0 18 18 A R B < -F 84 0B 85 -5,-2.2 2,-0.4 66,-0.2 66,-0.2 -0.854 59.1 -97.6-108.6 145.7 32.9 39.3 17.7 19 19 A L - 0 0 14 64,-3.0 63,-3.3 -2,-0.4 2,-0.6 -0.463 43.3-163.5 -62.9 117.7 34.6 36.2 19.1 20 20 A L + 0 0 13 -2,-0.4 55,-0.2 61,-0.2 -1,-0.1 -0.922 29.8 133.8-111.4 114.2 31.7 33.9 19.9 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.3 53,-0.1 55,-0.2 0.422 77.8 -12.1-119.9-101.7 32.4 31.0 22.2 22 22 A W S S+ 0 0 87 51,-0.1 2,-0.4 2,-0.1 54,-0.1 0.434 92.8 119.6 -89.7 0.9 30.3 29.9 25.2 23 23 A T - 0 0 46 1,-0.1 2,-1.8 29,-0.1 59,-0.1 -0.554 69.4-131.9 -65.0 122.8 28.2 33.0 25.2 24 24 A D + 0 0 82 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.432 38.9 170.8 -83.6 68.8 24.7 31.5 24.6 25 25 A L - 0 0 33 -2,-1.8 29,-0.6 1,-0.1 2,-0.1 -0.458 28.5-125.2 -78.6 148.2 23.4 33.8 21.9 26 26 A P - 0 0 76 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.430 32.6 -94.7 -86.4 165.0 20.2 33.0 20.0 27 27 A L - 0 0 19 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.1 -0.432 37.7-124.3 -74.5 155.8 19.9 32.7 16.2 28 28 A T > - 0 0 17 -18,-2.2 4,-1.9 -2,-0.1 5,-0.2 -0.354 35.3 -94.8 -87.7 178.5 18.9 35.9 14.3 29 29 A A H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.901 130.8 48.8 -62.1 -39.5 15.9 35.7 12.0 30 30 A E H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.870 107.0 56.3 -67.3 -36.8 18.3 35.0 9.1 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.872 107.7 47.6 -62.5 -38.1 20.0 32.3 11.2 32 32 A E H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.895 110.4 52.8 -69.3 -39.0 16.6 30.5 11.6 33 33 A A H X S+ 0 0 21 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.921 108.8 49.8 -60.9 -44.0 16.0 30.9 7.9 34 34 A Q H X S+ 0 0 34 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.897 109.2 52.1 -62.0 -40.3 19.3 29.3 7.2 35 35 A A H >X S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 4,-0.6 0.897 107.1 52.0 -63.8 -41.3 18.5 26.4 9.5 36 36 A R H >< S+ 0 0 125 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.865 102.0 60.3 -64.0 -35.9 15.2 25.8 7.8 37 37 A R H 3< S+ 0 0 91 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.761 97.4 61.4 -63.4 -23.0 17.0 25.6 4.4 38 38 A L H XX S+ 0 0 0 -3,-0.8 3,-2.0 -4,-0.8 4,-1.0 0.749 78.1 102.8 -74.7 -24.9 19.0 22.7 5.8 39 39 A K T << S+ 0 0 142 -3,-1.1 24,-0.1 -4,-0.6 23,-0.1 -0.441 95.1 11.6 -62.4 121.8 15.9 20.6 6.4 40 40 A G T 34 S+ 0 0 78 22,-0.5 -1,-0.3 2,-0.3 -2,-0.1 0.183 115.0 79.0 95.5 -18.0 15.8 18.0 3.6 41 41 A A T <4 S+ 0 0 37 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.571 84.6 69.5 -96.0 -13.4 19.4 18.8 2.4 42 42 A L S < S- 0 0 14 -4,-1.0 -2,-0.3 20,-0.2 87,-0.0 -0.793 91.7-104.5-104.9 148.5 20.9 16.7 5.2 43 43 A P - 0 0 37 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.286 32.1-105.8 -70.9 156.2 20.7 12.9 5.3 44 44 A S S S+ 0 0 129 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.651 71.4 133.7 -82.4 86.4 18.4 11.0 7.7 45 45 A L - 0 0 47 -2,-1.6 83,-0.2 1,-0.1 84,-0.1 -0.882 66.8 -76.0-131.5 162.7 21.1 9.9 10.1 46 46 A P - 0 0 81 0, 0.0 83,-2.4 0, 0.0 2,-0.3 -0.245 57.2-141.4 -54.5 150.8 21.4 9.8 13.9 47 47 A A E -c 129 0A 14 18,-0.2 20,-2.0 81,-0.2 2,-0.3 -0.922 22.9-176.7-126.7 150.0 22.1 13.3 15.2 48 48 A F E -cd 130 67A 40 81,-2.3 83,-3.0 -2,-0.3 2,-0.3 -0.943 12.1-172.1-134.7 153.1 24.2 14.9 17.9 49 49 A S E -cd 131 68A 0 18,-2.0 20,-2.5 -2,-0.3 23,-0.2 -0.998 31.9-104.3-151.3 152.4 24.5 18.6 18.8 50 50 A S - 0 0 0 81,-2.1 6,-0.1 -2,-0.3 21,-0.0 -0.394 38.4-125.9 -63.4 152.7 26.4 21.1 21.0 51 51 A D S S+ 0 0 43 18,-0.3 -1,-0.1 4,-0.1 2,-0.1 0.542 75.8 112.6 -84.3 -4.6 24.1 21.9 23.9 52 52 A L S >> S- 0 0 6 1,-0.1 4,-2.3 18,-0.0 3,-0.9 -0.400 78.7-115.3 -69.2 143.9 24.4 25.7 23.2 53 53 A L H 3> S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.854 110.2 53.3 -45.6 -53.6 21.1 27.3 22.1 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.2 1,-0.2 -45,-0.4 0.838 113.5 44.3 -57.3 -34.2 22.1 28.4 18.6 55 55 A A H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.943 114.0 48.0 -76.1 -48.0 23.2 24.8 17.8 56 56 A R H X S+ 0 0 92 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.905 113.2 48.9 -56.9 -44.5 20.2 23.1 19.3 57 57 A R H X S+ 0 0 74 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.839 108.9 52.9 -66.3 -34.6 17.8 25.5 17.5 58 58 A T H X S+ 0 0 0 -4,-1.2 4,-1.7 -5,-0.3 -1,-0.2 0.931 110.0 48.6 -66.0 -43.6 19.6 24.9 14.2 59 59 A A H <>S+ 0 0 0 -4,-2.3 5,-3.0 2,-0.2 -2,-0.2 0.884 111.7 50.4 -61.9 -40.8 19.1 21.1 14.6 60 60 A E H ><5S+ 0 0 117 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.950 112.1 44.6 -64.4 -50.3 15.5 21.6 15.5 61 61 A L H 3<5S+ 0 0 26 -4,-2.5 -22,-0.2 1,-0.3 -1,-0.2 0.778 108.4 59.2 -66.2 -25.6 14.7 23.8 12.5 62 62 A A T 3<5S- 0 0 2 -4,-1.7 -22,-0.5 -5,-0.2 -1,-0.3 0.456 125.1-103.1 -81.6 -0.8 16.7 21.4 10.2 63 63 A G T < 5S+ 0 0 44 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.672 78.1 125.1 90.3 20.3 14.3 18.6 11.3 64 64 A F < - 0 0 30 -5,-3.0 -1,-0.3 -6,-0.1 -2,-0.1 -0.744 50.9-154.0-114.2 160.7 16.4 16.7 13.9 65 65 A S - 0 0 125 -2,-0.3 -18,-0.2 2,-0.0 -5,-0.1 -0.704 35.7-168.9-128.5 74.5 16.1 15.6 17.5 66 66 A P - 0 0 28 0, 0.0 2,-0.5 0, 0.0 -18,-0.3 -0.202 25.7-119.0 -69.2 152.9 19.8 15.4 18.5 67 67 A R E -d 48 0A 172 -20,-2.0 -18,-2.0 1,-0.0 2,-0.3 -0.808 41.1-121.7 -88.7 132.0 21.4 14.0 21.6 68 68 A L E +d 49 0A 77 -2,-0.5 -18,-0.2 -20,-0.2 -17,-0.1 -0.567 34.1 173.2 -85.0 139.4 23.2 16.8 23.3 69 69 A Y > - 0 0 59 -20,-2.5 3,-2.0 -2,-0.3 -18,-0.3 -0.946 27.5-154.1-144.6 117.9 26.9 16.8 24.1 70 70 A P G > S+ 0 0 69 0, 0.0 3,-2.1 0, 0.0 -20,-0.1 0.723 92.7 78.1 -62.4 -19.7 28.9 19.7 25.5 71 71 A E G 3 S+ 0 0 77 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.707 86.8 58.7 -62.1 -19.3 31.9 18.2 23.8 72 72 A L G < S+ 0 0 0 -3,-2.0 61,-0.5 -23,-0.2 -22,-0.3 0.333 83.0 125.0 -92.3 6.4 30.6 19.6 20.6 73 73 A R < - 0 0 51 -3,-2.1 3,-0.1 -24,-0.1 -51,-0.1 -0.243 69.4-102.6 -62.7 153.6 30.7 23.2 22.0 74 74 A E - 0 0 19 -53,-0.3 -1,-0.1 1,-0.2 -53,-0.1 -0.195 59.1 -73.8 -65.0 165.7 32.6 26.0 20.3 75 75 A I - 0 0 10 -55,-0.2 2,-0.8 1,-0.1 -1,-0.2 -0.348 49.2-114.4 -64.8 148.5 36.0 26.8 21.9 76 76 A H - 0 0 43 -55,-0.2 32,-2.7 1,-0.1 -1,-0.1 -0.781 27.4-170.5 -88.8 109.3 35.7 28.7 25.2 77 77 A F > - 0 0 15 -2,-0.8 3,-2.4 1,-0.2 30,-0.2 0.506 16.5-169.0 -78.8 -4.3 37.2 32.1 24.6 78 78 A G G > S+ 0 0 13 28,-0.3 3,-2.2 1,-0.3 28,-0.2 -0.239 70.5 0.7 53.9-132.6 37.2 33.1 28.3 79 79 A A G 3 S+ 0 0 84 26,-3.1 -1,-0.3 1,-0.3 27,-0.1 0.567 131.8 62.8 -64.2 -9.3 37.9 36.7 28.9 80 80 A M G X S+ 0 0 23 -3,-2.4 3,-2.4 25,-0.3 -61,-0.3 0.489 72.5 125.6 -94.4 -3.3 38.2 37.2 25.2 81 81 A E T < S+ 0 0 38 -3,-2.2 -61,-0.2 1,-0.3 3,-0.1 -0.299 79.3 15.3 -53.7 133.9 34.6 36.2 24.6 82 82 A G T 3 S+ 0 0 10 -63,-3.3 -1,-0.3 1,-0.3 -62,-0.1 0.382 89.3 145.6 82.0 -5.4 32.9 39.0 22.7 83 83 A A < - 0 0 30 -3,-2.4 -64,-3.0 -64,-0.2 2,-0.3 -0.417 55.5-111.1 -67.9 139.4 36.1 40.7 21.6 84 84 A L B -F 18 0B 49 -66,-0.2 4,-0.4 1,-0.2 3,-0.3 -0.518 14.8-140.6 -69.6 129.3 36.0 42.3 18.1 85 85 A W S > S+ 0 0 91 -68,-2.9 3,-1.9 -2,-0.3 -1,-0.2 0.935 102.1 60.7 -53.9 -45.0 38.2 40.5 15.7 86 86 A E T 3 S+ 0 0 161 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.885 108.3 42.0 -45.8 -48.1 39.2 43.8 14.2 87 87 A T T 3 S+ 0 0 97 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.2 0.373 85.3 127.8 -88.2 5.4 40.7 44.9 17.6 88 88 A L < - 0 0 11 -3,-1.9 5,-0.1 -4,-0.4 -3,-0.0 -0.443 69.4-105.3 -67.6 131.3 42.3 41.6 18.3 89 89 A D >> - 0 0 62 -2,-0.2 4,-2.5 1,-0.1 3,-1.2 -0.232 29.6-114.6 -55.6 140.2 46.0 41.9 19.2 90 90 A P H 3> S+ 0 0 97 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.857 115.3 51.1 -43.6 -50.9 48.4 40.8 16.3 91 91 A R H 3> S+ 0 0 161 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.812 113.9 46.8 -65.0 -24.9 49.8 37.8 18.2 92 92 A Y H <> S+ 0 0 77 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.897 110.3 50.5 -81.0 -41.2 46.3 36.6 19.0 93 93 A K H X S+ 0 0 48 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.940 114.5 44.4 -60.8 -48.2 44.9 37.1 15.4 94 94 A E H X S+ 0 0 119 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.899 110.3 55.1 -63.2 -42.4 47.9 35.1 14.0 95 95 A A H <>S+ 0 0 16 -4,-1.3 5,-1.9 -5,-0.3 4,-0.4 0.917 114.1 41.0 -57.2 -44.1 47.5 32.5 16.7 96 96 A L H <5S+ 0 0 15 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.880 115.7 50.7 -71.8 -38.7 43.9 32.0 15.8 97 97 A L H <5S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.911 116.0 39.9 -66.0 -45.4 44.6 32.2 12.0 98 98 A R T <5S- 0 0 90 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.571 104.4-136.2 -79.5 -8.5 47.4 29.6 12.2 99 99 A F T 5 + 0 0 15 -4,-0.4 2,-0.4 -5,-0.3 -3,-0.2 0.923 62.3 120.6 55.9 44.7 45.3 27.6 14.6 100 100 A Q < - 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