==== 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 16-FEB-07 2OWE . 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 . 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) . 123 72.4 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 . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 27.1 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 3 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 64 0, 0.0 159,-1.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 121.9 18.3 16.0 24.8 2 2 A E E +A 159 0A 78 157,-0.2 126,-0.9 155,-0.1 2,-0.4 -0.543 360.0 176.5 -67.6 118.6 18.7 12.8 22.9 3 3 A L E -Ab 158 128A 1 155,-2.9 155,-2.7 -2,-0.5 2,-0.6 -0.988 23.4-148.8-127.7 132.1 20.2 10.3 25.4 4 4 A W E -Ab 157 129A 25 124,-2.6 126,-3.4 -2,-0.4 2,-0.6 -0.868 11.8-162.5 -96.5 122.4 20.9 6.6 24.8 5 5 A L E -Ab 156 130A 3 151,-3.3 151,-2.2 -2,-0.6 2,-0.5 -0.913 7.3-167.3-105.3 118.6 20.5 4.5 28.0 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.0 -2,-0.6 2,-0.4 -0.923 11.9-147.1-109.9 123.1 22.3 1.1 27.7 7 7 A R E - b 0 132A 47 147,-2.6 146,-1.0 -2,-0.5 126,-0.2 -0.747 32.7-110.7 -86.3 133.2 21.6 -1.6 30.2 8 8 A H - 0 0 5 124,-1.8 145,-1.1 -2,-0.4 146,-0.2 -0.136 39.2 -89.4 -61.4 159.9 24.7 -3.7 30.8 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.1 -0.011 61.3 -62.0 -63.3 171.4 24.9 -7.3 29.5 10 10 A E - 0 0 25 142,-0.2 18,-2.5 20,-0.1 2,-0.3 -0.208 47.1-171.6 -58.2 140.5 23.9 -10.3 31.6 11 11 A T B >> -F 27 0B 0 16,-0.3 4,-1.0 -3,-0.1 3,-0.7 -0.818 41.8-100.1-122.3 165.9 25.7 -11.2 34.8 12 12 A L H >> S+ 0 0 87 14,-0.5 4,-2.0 -2,-0.3 3,-0.7 0.883 122.5 52.0 -58.2 -39.3 25.0 -14.5 36.7 13 13 A W H 3>>S+ 0 0 51 1,-0.2 5,-2.4 2,-0.2 4,-0.5 0.752 100.9 61.8 -70.2 -24.7 22.7 -12.9 39.2 14 14 A N H <45S+ 0 0 47 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.802 110.1 42.5 -67.2 -28.2 20.6 -11.4 36.4 15 15 A R H <<5S+ 0 0 176 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.874 114.5 48.5 -79.5 -43.0 20.0 -14.9 35.3 16 16 A E H <5S- 0 0 94 -4,-2.0 -2,-0.2 2,-0.1 69,-0.2 0.358 111.8-112.2 -85.0 5.4 19.3 -16.4 38.8 17 17 A G T <5 + 0 0 38 -4,-0.5 68,-2.0 1,-0.2 2,-0.4 0.989 65.9 147.2 61.0 55.8 16.9 -13.6 39.9 18 18 A R B < -G 84 0C 95 -5,-2.4 -1,-0.2 66,-0.2 66,-0.2 -0.985 56.0-103.8-124.4 136.8 19.1 -12.1 42.5 19 19 A L - 0 0 16 64,-2.3 63,-3.0 -2,-0.4 2,-0.5 -0.378 38.7-170.5 -60.3 126.6 19.3 -8.4 43.5 20 20 A L + 0 0 12 61,-0.2 55,-0.1 -2,-0.2 61,-0.1 -0.946 27.1 130.8-124.8 111.2 22.4 -6.8 41.9 21 21 A G S S- 0 0 0 -2,-0.5 53,-0.4 53,-0.1 55,-0.2 0.499 80.2 -8.7-119.7 -94.0 23.4 -3.3 43.0 22 22 A W S S+ 0 0 83 51,-0.1 2,-0.2 2,-0.1 54,-0.1 0.520 94.4 115.9 -91.3 -7.0 26.9 -2.3 44.0 23 23 A T S S- 0 0 44 1,-0.1 2,-1.7 29,-0.1 59,-0.1 -0.501 72.7-129.6 -61.1 127.3 28.2 -5.9 44.2 24 24 A D + 0 0 83 -2,-0.2 -1,-0.1 29,-0.1 -2,-0.1 -0.383 41.4 169.0 -83.9 61.1 30.9 -5.7 41.4 25 25 A L - 0 0 36 -2,-1.7 29,-0.6 1,-0.1 2,-0.1 -0.450 28.1-127.0 -75.7 145.1 29.9 -8.8 39.4 26 26 A P - 0 0 72 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.354 29.8 -93.8 -85.1 167.2 31.4 -9.5 36.0 27 27 A L B -F 11 0B 17 -16,-0.2 -16,-0.3 26,-0.1 2,-0.1 -0.455 37.0-123.1 -76.4 152.8 29.5 -10.2 32.8 28 28 A T > - 0 0 32 -18,-2.5 4,-2.0 -2,-0.1 5,-0.2 -0.337 37.0 -94.9 -83.1 176.4 28.8 -13.8 31.8 29 29 A A H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.897 131.0 46.8 -61.7 -39.9 30.1 -14.9 28.4 30 30 A E H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 107.3 58.1 -69.3 -35.7 26.7 -14.2 26.9 31 31 A G H > S+ 0 0 0 -21,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.901 108.0 46.3 -59.1 -39.6 26.7 -10.9 28.7 32 32 A E H X S+ 0 0 61 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.907 109.8 53.7 -68.9 -40.0 29.9 -10.1 26.8 33 33 A A H X S+ 0 0 27 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.894 107.6 51.3 -60.7 -39.7 28.4 -11.3 23.5 34 34 A Q H X S+ 0 0 35 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.911 109.7 50.2 -63.5 -41.9 25.4 -8.9 24.1 35 35 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 4,-0.5 0.902 108.3 52.2 -64.7 -40.7 27.8 -6.0 24.6 36 36 A R H >< S+ 0 0 149 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.850 100.7 61.9 -65.5 -32.5 29.8 -6.8 21.4 37 37 A R H 3< S+ 0 0 113 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.696 96.2 61.7 -67.8 -15.0 26.5 -6.9 19.4 38 38 A L T XX S+ 0 0 1 -3,-1.1 3,-1.7 -4,-0.6 4,-1.3 0.703 76.5 109.3 -81.6 -19.8 26.1 -3.2 20.4 39 39 A K T <4 S+ 0 0 142 -3,-1.3 24,-0.2 -4,-0.5 23,-0.1 -0.419 95.0 3.3 -62.8 118.7 29.3 -2.2 18.6 40 40 A G T 34 S+ 0 0 76 22,-0.5 -1,-0.3 -2,-0.3 -2,-0.1 0.176 116.2 84.2 91.5 -16.7 28.4 -0.3 15.5 41 41 A A T <4 S+ 0 0 45 -3,-1.7 -2,-0.2 21,-0.1 -3,-0.1 0.717 82.0 64.7 -89.0 -24.0 24.7 -0.4 16.3 42 42 A L S < S- 0 0 6 -4,-1.3 -2,-0.3 20,-0.2 87,-0.1 -0.756 98.3 -98.6 -99.9 146.5 24.8 2.6 18.7 43 43 A P - 0 0 46 0, 0.0 2,-2.0 0, 0.0 -2,-0.1 -0.355 36.3-115.9 -62.0 143.2 25.6 6.2 17.5 44 44 A S + 0 0 121 -4,-0.1 3,-0.1 84,-0.0 19,-0.0 -0.228 62.9 146.9 -79.1 52.2 29.2 7.0 18.2 45 45 A L - 0 0 45 -2,-2.0 83,-0.2 1,-0.2 84,-0.1 -0.352 63.0 -73.2 -81.5 164.4 28.4 9.8 20.6 46 46 A P - 0 0 77 0, 0.0 83,-2.3 0, 0.0 2,-0.4 -0.309 59.2-137.2 -56.4 142.7 30.5 10.6 23.7 47 47 A A E -c 129 0A 9 18,-0.3 20,-1.5 81,-0.2 2,-0.3 -0.851 22.7-174.8-114.6 146.9 30.1 7.9 26.3 48 48 A F E -cd 130 67A 25 81,-2.5 83,-3.0 -2,-0.4 2,-0.3 -0.933 13.8-172.1-128.7 149.8 29.7 7.9 30.1 49 49 A S E -cd 131 68A 0 18,-2.5 20,-3.1 -2,-0.3 23,-0.2 -0.993 30.1-105.9-148.2 153.7 29.6 4.8 32.2 50 50 A S - 0 0 0 81,-2.0 6,-0.1 -2,-0.3 21,-0.0 -0.370 36.9-123.3 -66.7 156.1 28.9 3.6 35.7 51 51 A D S S+ 0 0 44 18,-0.3 2,-0.2 17,-0.1 -1,-0.1 0.526 78.0 112.1 -83.8 -3.8 32.2 2.7 37.4 52 52 A L S >> S- 0 0 5 1,-0.1 4,-2.2 4,-0.0 3,-1.2 -0.483 78.7-118.9 -69.7 139.6 30.9 -0.8 38.2 53 53 A L H 3> S+ 0 0 59 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.849 108.9 55.9 -43.9 -52.0 32.8 -3.5 36.2 54 54 A R H 3> S+ 0 0 1 -29,-0.6 4,-1.4 1,-0.2 -45,-0.4 0.827 112.3 42.8 -57.0 -33.2 29.8 -4.8 34.3 55 55 A A H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.923 114.8 48.8 -78.3 -46.3 29.0 -1.4 32.9 56 56 A R H X S+ 0 0 84 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.926 112.5 49.3 -56.4 -46.8 32.6 -0.5 32.1 57 57 A R H X S+ 0 0 66 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.893 109.0 52.4 -62.2 -40.5 33.0 -3.8 30.3 58 58 A T H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.938 109.6 48.7 -62.2 -45.4 29.9 -3.3 28.3 59 59 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.2 0.938 112.1 49.6 -58.7 -48.2 31.0 0.1 27.1 60 60 A E H ><5S+ 0 0 116 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.928 112.2 45.6 -57.1 -50.5 34.4 -1.3 26.2 61 61 A L H 3<5S+ 0 0 12 -4,-2.6 -22,-0.3 1,-0.3 -1,-0.2 0.759 106.3 61.6 -68.0 -22.6 33.0 -4.2 24.2 62 62 A A T 3<5S- 0 0 1 -4,-1.7 -22,-0.5 -5,-0.2 -1,-0.3 0.467 124.1-102.6 -82.4 -0.9 30.5 -1.9 22.5 63 63 A G T < 5S+ 0 0 47 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.629 80.7 125.4 91.5 15.0 33.4 0.0 21.0 64 64 A F < - 0 0 23 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.720 53.1-151.0-109.7 159.3 33.3 3.0 23.4 65 65 A S - 0 0 119 -2,-0.3 -18,-0.3 2,-0.0 -5,-0.0 -0.778 35.3-172.0-124.5 80.4 35.9 4.7 25.7 66 66 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.205 24.8-121.2 -75.8 158.4 33.6 6.0 28.5 67 67 A R E -d 48 0A 145 -20,-1.5 -18,-2.5 2,-0.0 2,-0.5 -0.854 36.0-116.8 -92.8 139.5 34.3 8.3 31.4 68 68 A M E +d 49 0A 93 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.652 36.7 172.7 -88.9 125.5 33.5 6.8 34.7 69 69 A Y > - 0 0 69 -20,-3.1 3,-1.5 -2,-0.5 -18,-0.3 -0.972 26.7-155.4-131.8 121.2 30.8 8.3 36.9 70 70 A P G > S+ 0 0 68 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.756 90.3 75.4 -61.9 -24.7 29.4 6.8 40.1 71 71 A E G 3 S+ 0 0 76 1,-0.3 49,-0.2 45,-0.0 -21,-0.1 0.715 89.5 59.6 -62.6 -16.2 26.2 8.7 39.7 72 72 A L G < S+ 0 0 1 -3,-1.5 61,-0.4 -23,-0.2 -22,-0.3 0.355 81.8 123.6 -93.4 7.1 25.3 6.2 37.0 73 73 A R S < S- 0 0 53 -3,-2.1 3,-0.1 -24,-0.1 -51,-0.1 -0.266 70.1-105.7 -64.4 152.5 25.5 3.2 39.4 74 74 A E - 0 0 20 -53,-0.4 -1,-0.1 1,-0.1 -53,-0.1 -0.284 58.0 -76.4 -67.0 164.6 22.6 0.8 40.0 75 75 A I - 0 0 7 -55,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.380 49.8-112.9 -65.1 144.2 20.8 1.5 43.4 76 76 A H - 0 0 49 -55,-0.2 32,-2.2 1,-0.1 -1,-0.1 -0.722 24.8-164.2 -82.0 124.3 22.8 0.1 46.3 77 77 A F > - 0 0 13 -2,-0.5 3,-2.3 1,-0.2 30,-0.4 0.505 16.7-166.0 -88.1 -4.4 20.8 -2.8 47.9 78 78 A G G > S+ 0 0 15 28,-0.3 3,-1.7 1,-0.3 28,-0.3 -0.338 73.5 1.4 59.0-127.8 22.7 -2.8 51.2 79 79 A A G 3 S+ 0 0 82 26,-3.7 -1,-0.3 1,-0.3 27,-0.1 0.539 131.1 65.4 -69.9 -5.5 22.1 -6.0 53.1 80 80 A L G X + 0 0 20 -3,-2.3 3,-2.1 25,-0.4 -1,-0.3 0.378 68.4 127.7 -96.9 2.1 19.8 -7.1 50.3 81 81 A E T < S+ 0 0 38 -3,-1.7 -61,-0.2 1,-0.3 3,-0.1 -0.412 85.7 7.2 -58.9 130.2 22.7 -7.4 47.8 82 82 A G T 3 S+ 0 0 6 -63,-3.0 -1,-0.3 1,-0.2 -62,-0.1 0.312 93.1 158.6 79.1 -10.1 22.5 -10.8 46.2 83 83 A A < - 0 0 24 -3,-2.1 -64,-2.3 -65,-0.2 2,-0.5 -0.138 47.9-115.0 -49.9 135.8 19.2 -11.5 48.0 84 84 A L B >> -G 18 0C 45 -66,-0.2 4,-0.7 1,-0.2 3,-0.7 -0.654 15.9-143.6 -77.6 122.2 17.2 -14.2 46.3 85 85 A W T 34 S+ 0 0 77 -68,-2.0 3,-0.5 -2,-0.5 -1,-0.2 0.795 96.1 65.4 -56.2 -29.2 14.0 -12.6 44.9 86 86 A E T 34 S+ 0 0 153 -69,-0.4 -1,-0.2 1,-0.2 -68,-0.1 0.919 111.8 30.7 -61.4 -46.1 12.1 -15.8 45.8 87 87 A T T <4 S+ 0 0 107 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.340 87.7 129.1 -97.2 6.5 12.6 -15.4 49.6 88 88 A L S < S- 0 0 11 -4,-0.7 5,-0.1 -3,-0.5 -3,-0.0 -0.374 75.4 -95.7 -62.5 135.4 12.7 -11.6 49.7 89 89 A D >> - 0 0 68 1,-0.2 4,-2.2 -2,-0.1 3,-1.5 -0.308 31.6-124.9 -53.6 128.6 10.2 -10.2 52.2 90 90 A P H 3> S+ 0 0 86 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.783 109.1 66.1 -47.6 -29.2 7.0 -9.4 50.4 91 91 A R H 3> S+ 0 0 168 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.929 108.7 36.9 -60.3 -44.8 7.3 -5.8 51.8 92 92 A Y H <> S+ 0 0 58 -3,-1.5 4,-2.6 2,-0.2 5,-0.2 0.927 114.8 55.3 -73.3 -44.9 10.4 -5.2 49.7 93 93 A K H X S+ 0 0 53 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 110.4 45.8 -53.2 -47.5 9.2 -7.2 46.7 94 94 A E H X S+ 0 0 88 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 112.0 50.7 -64.9 -40.8 6.1 -5.1 46.5 95 95 A A H X>S+ 0 0 11 -4,-1.5 5,-1.8 -5,-0.3 4,-1.6 0.870 111.2 49.6 -65.9 -36.5 8.0 -1.8 46.9 96 96 A L H <5S+ 0 0 18 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.890 111.1 48.4 -69.3 -39.9 10.4 -2.9 44.2 97 97 A L H <5S+ 0 0 99 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.903 118.2 40.0 -66.5 -41.4 7.6 -3.8 41.8 98 98 A R H <5S- 0 0 148 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.729 103.6-135.3 -77.8 -23.7 5.8 -0.5 42.4 99 99 A F T <5 + 0 0 13 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.930 69.4 96.5 65.7 48.6 9.1 1.4 42.4 100 100 A Q < + 0 0 130 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.969 68.9 24.1-164.2 145.5 8.1 3.4 45.5 101 101 A G S S+ 0 0 79 -2,-0.3 2,-0.5 1,-0.2 -6,-0.1 0.888 83.4 141.2 67.2 36.4 8.5 3.3 49.3 102 102 A F + 0 0 7 -7,-0.2 8,-2.5 -8,-0.1 9,-0.2 -0.950 16.1 151.7-121.7 121.1 11.7 1.2 48.9 103 103 A H - 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