==== 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 ISOMERASE 25-MAR-07 2P9F . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.YAMAMOTO,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) . 15115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 71.0 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 . 44 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 27.3 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,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 121.2 33.4 7.1 9.1 2 2 A E E +A 159 0A 82 157,-0.2 126,-1.0 155,-0.1 2,-0.4 -0.539 360.0 172.0 -70.8 118.2 30.9 9.4 7.2 3 3 A L E -Ab 158 128A 0 155,-2.6 155,-2.6 -2,-0.5 2,-0.6 -0.994 23.8-150.8-130.5 133.0 30.1 12.4 9.4 4 4 A W E -Ab 157 129A 39 124,-2.6 126,-4.0 -2,-0.4 2,-0.5 -0.910 14.4-163.4-105.3 116.3 28.2 15.5 8.4 5 5 A L E -Ab 156 130A 1 151,-3.2 151,-2.3 -2,-0.6 2,-0.5 -0.872 2.8-163.2-102.6 129.1 29.2 18.6 10.3 6 6 A V E -Ab 155 131A 0 124,-3.2 126,-3.0 -2,-0.5 2,-0.6 -0.931 13.1-143.3-115.0 128.6 26.9 21.6 10.3 7 7 A R E - b 0 132A 57 147,-2.6 146,-1.3 -2,-0.5 126,-0.2 -0.792 36.1-113.2 -87.2 126.6 27.9 25.1 11.3 8 8 A H - 0 0 12 124,-2.0 145,-1.1 -2,-0.6 146,-0.2 -0.065 38.6 -86.4 -56.3 158.6 25.0 26.7 13.1 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 -1,-0.1 -0.140 60.4 -75.6 -62.1 164.0 23.1 29.6 11.6 10 10 A E - 0 0 24 142,-0.1 18,-2.4 20,-0.1 2,-0.2 -0.193 41.4-166.9 -66.4 152.3 24.4 33.2 12.1 11 11 A T >> - 0 0 2 16,-0.3 3,-1.6 -3,-0.1 4,-0.8 -0.718 43.9 -90.5-124.0 174.8 24.0 35.2 15.3 12 12 A L H 3> S+ 0 0 87 14,-0.5 4,-1.8 1,-0.3 3,-0.2 0.839 121.5 64.0 -59.8 -35.0 24.5 38.9 15.8 13 13 A W H 3>>S+ 0 0 52 1,-0.2 5,-2.0 2,-0.2 4,-0.7 0.584 92.3 65.6 -69.0 -7.1 28.2 38.5 16.7 14 14 A N H <45S+ 0 0 70 -3,-1.6 3,-0.5 2,-0.2 -1,-0.2 0.955 108.8 35.4 -76.7 -51.7 28.9 37.1 13.2 15 15 A R H <5S+ 0 0 155 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.1 0.797 120.2 52.4 -70.2 -27.4 28.1 40.4 11.4 16 16 A E H <5S- 0 0 89 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.626 105.3-130.4 -83.1 -15.2 29.6 42.2 14.4 17 17 A G T <5 + 0 0 33 -4,-0.7 68,-2.8 -3,-0.5 69,-0.4 0.914 52.4 147.1 67.3 45.2 32.9 40.3 14.3 18 18 A R B < -F 84 0B 90 -5,-2.0 2,-0.3 66,-0.2 66,-0.2 -0.891 58.2 -99.6-113.3 143.6 33.1 39.3 18.0 19 19 A L - 0 0 17 64,-3.0 63,-3.0 -2,-0.4 2,-0.6 -0.455 40.8-164.7 -62.7 121.1 34.6 36.1 19.4 20 20 A L + 0 0 24 -2,-0.3 55,-0.1 61,-0.2 61,-0.1 -0.925 30.3 133.0-115.5 107.2 31.6 33.8 20.1 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.4 53,-0.1 55,-0.2 0.521 80.3 -12.5-115.4 -98.4 32.4 30.8 22.3 22 22 A W S S+ 0 0 91 51,-0.1 2,-0.4 56,-0.1 54,-0.1 0.466 95.0 118.8 -90.8 -1.6 30.2 29.8 25.2 23 23 A T - 0 0 43 1,-0.1 2,-1.8 29,-0.1 59,-0.1 -0.535 69.8-132.3 -63.4 119.5 28.3 33.1 25.2 24 24 A D + 0 0 81 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.441 38.7 168.6 -82.5 71.6 24.8 31.7 24.6 25 25 A L - 0 0 35 -2,-1.8 29,-0.6 1,-0.1 2,-0.1 -0.494 29.1-126.0 -82.5 150.8 23.5 33.9 21.8 26 26 A P - 0 0 76 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.424 33.8 -91.0 -88.2 168.2 20.3 33.1 19.8 27 27 A L - 0 0 17 -16,-0.1 -16,-0.3 -2,-0.1 2,-0.1 -0.426 38.2-122.7 -75.7 154.2 20.1 32.9 16.0 28 28 A T > - 0 0 18 -18,-2.4 4,-2.0 -2,-0.1 5,-0.2 -0.315 35.4 -96.5 -84.3 178.1 19.2 36.0 14.1 29 29 A A H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.922 130.9 46.3 -63.2 -42.1 16.2 36.0 11.7 30 30 A E H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 107.8 58.6 -67.6 -33.1 18.5 35.2 8.8 31 31 A G H > S+ 0 0 0 -21,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 106.6 46.6 -62.9 -39.7 20.2 32.6 11.0 32 32 A E H X S+ 0 0 49 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.861 109.6 54.8 -70.1 -34.5 16.9 30.8 11.4 33 33 A A H X S+ 0 0 19 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.905 107.1 50.7 -64.0 -41.1 16.3 31.1 7.7 34 34 A Q H X S+ 0 0 24 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.915 109.3 51.1 -62.5 -43.5 19.6 29.4 7.0 35 35 A A H >X S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 4,-0.5 0.900 107.6 52.5 -61.7 -42.2 18.7 26.6 9.4 36 36 A R H >< S+ 0 0 126 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.886 102.5 58.5 -62.1 -39.7 15.4 26.0 7.7 37 37 A R H 3< S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.741 96.0 65.5 -62.5 -22.0 17.0 25.7 4.3 38 38 A L H XX S+ 0 0 0 -3,-0.8 3,-2.3 -4,-0.8 4,-0.8 0.748 76.2 102.1 -72.4 -23.9 19.1 22.8 5.7 39 39 A K T << S+ 0 0 128 -3,-1.4 24,-0.1 -4,-0.5 23,-0.1 -0.448 93.4 14.8 -63.1 125.3 15.9 20.7 6.1 40 40 A G T 34 S+ 0 0 81 22,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.304 114.5 78.6 92.4 -9.9 15.9 18.3 3.2 41 41 A A T <4 S+ 0 0 34 -3,-2.3 -2,-0.2 21,-0.1 -3,-0.1 0.510 82.5 70.2-105.7 -10.4 19.5 18.9 2.4 42 42 A L S < S- 0 0 16 -4,-0.8 -2,-0.3 20,-0.2 87,-0.1 -0.842 89.2-105.6-109.2 146.3 21.0 16.8 5.2 43 43 A P - 0 0 36 0, 0.0 2,-1.5 0, 0.0 -2,-0.1 -0.303 32.9-107.9 -68.3 152.1 20.9 13.0 5.3 44 44 A S + 0 0 126 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.655 69.9 132.9 -82.3 90.1 18.5 11.2 7.7 45 45 A L - 0 0 50 -2,-1.5 83,-0.2 1,-0.1 84,-0.1 -0.869 68.1 -70.6-133.1 165.4 21.1 9.9 10.1 46 46 A P - 0 0 82 0, 0.0 83,-2.5 0, 0.0 2,-0.4 -0.307 59.2-141.1 -56.0 144.0 21.4 9.9 14.0 47 47 A A E -c 129 0A 13 18,-0.2 20,-2.0 81,-0.2 2,-0.3 -0.887 22.9-178.5-119.2 145.9 22.0 13.5 15.1 48 48 A F E -cd 130 67A 38 81,-2.4 83,-3.0 -2,-0.4 2,-0.3 -0.946 10.6-173.6-133.4 152.4 24.1 15.1 17.8 49 49 A S E -cd 131 68A 0 18,-2.0 20,-2.5 -2,-0.3 23,-0.2 -1.000 32.9-103.4-152.5 150.9 24.4 18.7 18.7 50 50 A S - 0 0 0 81,-2.2 6,-0.1 -2,-0.3 81,-0.0 -0.402 38.3-127.2 -61.3 149.2 26.3 21.2 20.9 51 51 A D S S+ 0 0 39 18,-0.3 2,-0.2 4,-0.1 -1,-0.1 0.502 74.6 113.7 -82.8 -2.5 24.0 22.1 23.8 52 52 A L S >> S- 0 0 6 1,-0.1 4,-2.4 4,-0.0 3,-1.2 -0.467 78.7-115.6 -71.8 140.2 24.3 25.8 23.1 53 53 A L H 3> S+ 0 0 53 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.820 110.7 53.2 -40.8 -52.5 21.1 27.5 21.9 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.1 1,-0.2 -45,-0.4 0.841 114.4 42.6 -59.6 -34.2 22.3 28.5 18.4 55 55 A A H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.944 114.8 48.4 -76.4 -50.3 23.3 24.9 17.6 56 56 A R H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.911 112.7 49.2 -54.9 -45.8 20.3 23.3 19.2 57 57 A R H X S+ 0 0 70 -4,-2.9 4,-2.6 -5,-0.2 -1,-0.2 0.841 108.9 52.3 -64.7 -35.0 17.9 25.7 17.4 58 58 A T H X S+ 0 0 0 -4,-1.1 4,-1.4 -5,-0.3 -1,-0.2 0.926 110.6 48.4 -66.4 -43.2 19.7 25.0 14.0 59 59 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.3 0.935 112.6 48.7 -60.8 -47.4 19.2 21.3 14.6 60 60 A E H ><5S+ 0 0 112 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.945 112.4 45.9 -58.7 -52.1 15.5 21.8 15.4 61 61 A L H 3<5S+ 0 0 23 -4,-2.6 -22,-0.3 1,-0.3 -1,-0.2 0.716 107.8 59.6 -65.6 -20.3 14.8 24.0 12.4 62 62 A A T 3<5S- 0 0 2 -4,-1.4 -22,-0.4 -3,-0.2 -1,-0.3 0.473 124.4-103.1 -85.8 -3.5 16.7 21.5 10.2 63 63 A G T < 5S+ 0 0 48 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.681 78.5 123.7 92.4 20.9 14.3 18.8 11.2 64 64 A F < - 0 0 34 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.755 51.4-153.6-115.5 161.8 16.3 16.8 13.8 65 65 A S - 0 0 125 -2,-0.3 -18,-0.2 2,-0.0 -16,-0.0 -0.728 35.4-173.0-129.8 76.1 16.0 15.8 17.4 66 66 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.250 27.7-116.9 -75.0 152.1 19.7 15.5 18.4 67 67 A R E -d 48 0A 168 -20,-2.0 -18,-2.0 -2,-0.0 2,-0.3 -0.774 40.5-120.7 -84.0 136.5 21.2 14.2 21.6 68 68 A L E +d 49 0A 77 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.644 33.0 176.2 -90.2 139.3 23.1 17.0 23.3 69 69 A Y > - 0 0 54 -20,-2.5 3,-2.0 -2,-0.3 -18,-0.3 -0.947 25.3-155.9-140.8 118.5 26.8 16.9 24.1 70 70 A P G > S+ 0 0 66 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.735 92.7 76.4 -62.7 -20.0 28.7 19.8 25.6 71 71 A E G 3 S+ 0 0 83 1,-0.3 49,-0.2 -3,-0.1 -21,-0.1 0.676 87.9 58.7 -65.6 -15.1 31.8 18.2 24.0 72 72 A M G < S+ 0 0 6 -3,-2.0 61,-0.4 -23,-0.2 -22,-0.3 0.297 83.2 120.8 -95.7 7.2 30.6 19.6 20.7 73 73 A R S < S- 0 0 49 -3,-1.9 3,-0.1 -24,-0.1 -51,-0.1 -0.277 72.1 -99.3 -70.2 159.3 30.7 23.2 21.9 74 74 A E - 0 0 19 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.183 60.8 -73.4 -65.3 167.1 32.7 26.0 20.3 75 75 A I - 0 0 4 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.342 48.5-113.6 -65.1 149.3 36.0 26.7 22.1 76 76 A H - 0 0 49 -55,-0.2 32,-2.8 1,-0.1 -1,-0.1 -0.785 26.3-166.1 -87.1 110.3 35.6 28.6 25.4 77 77 A F > - 0 0 15 -2,-0.8 3,-2.4 1,-0.2 30,-0.2 0.510 16.6-166.4 -76.3 -3.7 37.2 32.0 24.8 78 78 A G G > S+ 0 0 13 28,-0.3 3,-2.0 1,-0.3 28,-0.2 -0.293 72.5 1.4 56.2-129.8 37.4 32.8 28.5 79 79 A A G 3 S+ 0 0 78 26,-3.0 -1,-0.3 1,-0.3 27,-0.1 0.695 131.3 64.7 -62.9 -18.1 38.1 36.5 29.1 80 80 A L G X S+ 0 0 22 -3,-2.4 3,-2.5 25,-0.3 -61,-0.3 0.482 70.1 126.0 -84.9 -1.7 38.1 36.9 25.3 81 81 A E T < S+ 0 0 37 -3,-2.0 -61,-0.2 1,-0.3 3,-0.1 -0.359 83.4 10.1 -56.1 130.3 34.4 36.0 25.0 82 82 A G T 3 S+ 0 0 11 -63,-3.0 -1,-0.3 1,-0.3 -62,-0.1 0.422 92.3 148.3 80.0 -2.3 32.8 38.8 23.1 83 83 A A < - 0 0 25 -3,-2.5 -64,-3.0 -64,-0.2 2,-0.3 -0.402 54.2-113.1 -68.4 140.0 36.1 40.5 22.1 84 84 A L B -F 18 0B 48 -66,-0.2 3,-0.4 1,-0.2 4,-0.4 -0.589 16.7-141.3 -71.9 129.8 36.1 42.3 18.8 85 85 A W S > S+ 0 0 95 -68,-2.8 3,-2.2 -2,-0.3 -1,-0.2 0.944 99.2 63.0 -55.3 -47.6 38.4 40.4 16.4 86 86 A E T 3 S+ 0 0 145 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.838 109.5 36.8 -43.9 -46.8 39.6 43.8 15.1 87 87 A T T 3 S+ 0 0 97 -3,-0.4 -1,-0.3 2,-0.0 -2,-0.2 0.267 86.0 128.2 -97.0 12.8 41.1 44.9 18.4 88 88 A L S < S- 0 0 9 -3,-2.2 5,-0.1 -4,-0.4 -3,-0.0 -0.427 73.6 -94.3 -69.1 140.4 42.4 41.5 19.5 89 89 A D >> - 0 0 76 1,-0.1 4,-2.3 -2,-0.1 3,-1.3 -0.284 34.1-119.0 -54.5 136.6 46.0 41.5 20.5 90 90 A P H 3> S+ 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.798 114.2 58.1 -47.9 -35.4 48.3 40.5 17.6 91 91 A R H 3> S+ 0 0 160 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.871 109.5 44.0 -65.9 -37.1 49.5 37.5 19.5 92 92 A Y H <> S+ 0 0 29 -3,-1.3 4,-2.4 2,-0.2 5,-0.2 0.899 112.0 52.1 -73.9 -41.6 46.0 36.2 19.8 93 93 A K H X S+ 0 0 51 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.941 112.5 46.4 -58.1 -47.7 45.1 37.0 16.2 94 94 A E H X S+ 0 0 123 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.910 110.2 52.8 -61.7 -43.9 48.2 35.0 15.1 95 95 A A H <>S+ 0 0 9 -4,-1.9 5,-2.2 1,-0.2 4,-0.4 0.901 115.0 41.7 -59.7 -41.5 47.4 32.1 17.4 96 96 A L H <5S+ 0 0 12 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.880 114.7 50.5 -74.5 -38.0 43.9 31.9 16.0 97 97 A L H <5S+ 0 0 105 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.936 119.9 35.8 -64.7 -45.5 45.0 32.4 12.4 98 98 A R T <5S- 0 0 95 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.480 107.3-131.7 -86.0 -2.9 47.6 29.7 12.6 99 99 A F T 5 + 0 0 15 -4,-0.4 2,-0.3 -5,-0.2 -3,-0.2 0.892 68.8 96.4 53.1 50.5 45.3 27.7 14.9 100 100 A Q < + 0 0 36 -5,-2.2 -2,-0.2 -6,-0.2 -1,-0.2 -0.987 64.6 25.0-162.0 154.6 48.0 27.0 17.6 101 101 A G S S+ 0 0 59 136,-0.5 2,-0.5 -2,-0.3 -6,-0.1 0.907 73.5 146.8 54.1 51.3 49.4 28.2 20.9 102 102 A F + 0 0 5 -7,-0.2 8,-2.1 -3,-0.1 9,-0.3 -0.961 9.7 152.9-121.0 114.3 46.1 29.8 22.1 103 103 A H - 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