==== 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 28-MAR-07 2ENU . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 342 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 69.0 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 . 40 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 26.6 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 1 1 0 0 1 3 4 0 0 1 1 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 74 0, 0.0 159,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 121.0 33.6 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 -0.562 360.0 171.3 -71.3 116.7 31.2 9.4 7.3 3 3 A L E -Ab 158 128A 0 155,-2.6 155,-2.7 -2,-0.5 2,-0.6 -0.994 23.4-151.5-130.7 133.4 30.4 12.4 9.5 4 4 A W E -Ab 157 129A 37 124,-2.5 126,-4.0 -2,-0.4 2,-0.5 -0.921 12.5-162.6-105.8 118.7 28.5 15.5 8.6 5 5 A L E -Ab 156 130A 1 151,-3.3 151,-2.3 -2,-0.6 2,-0.5 -0.887 3.4-162.9-104.1 130.2 29.5 18.6 10.5 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.0 -2,-0.5 2,-0.5 -0.941 12.8-143.8-115.7 126.4 27.1 21.6 10.5 7 7 A R E - b 0 132A 53 147,-2.8 146,-1.1 -2,-0.5 147,-0.3 -0.776 36.7-112.2 -85.3 127.3 28.2 25.1 11.5 8 8 A H - 0 0 10 124,-2.0 145,-1.2 -2,-0.5 146,-0.2 -0.057 38.6 -85.3 -56.9 159.5 25.2 26.7 13.3 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 -1,-0.1 -0.128 61.3 -74.8 -61.0 163.3 23.2 29.5 11.8 10 10 A E - 0 0 27 142,-0.1 18,-2.3 20,-0.1 21,-0.3 -0.208 42.3-167.8 -66.1 149.7 24.4 33.1 12.3 11 11 A T >> - 0 0 1 16,-0.2 3,-1.4 -3,-0.1 4,-0.7 -0.665 44.1 -90.6-121.1 177.9 24.1 35.1 15.6 12 12 A L H 3> S+ 0 0 89 14,-0.4 4,-1.8 1,-0.3 3,-0.3 0.820 120.9 64.6 -64.7 -31.0 24.6 38.8 16.0 13 13 A W H 3>>S+ 0 0 49 1,-0.2 5,-1.9 2,-0.2 4,-0.8 0.558 90.2 67.4 -72.1 -5.0 28.3 38.4 16.8 14 14 A N H <45S+ 0 0 68 -3,-1.4 3,-0.2 2,-0.2 -1,-0.2 0.943 108.6 35.0 -76.9 -49.1 29.0 37.1 13.3 15 15 A R H <5S+ 0 0 156 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.1 0.837 119.6 52.9 -71.1 -33.1 28.3 40.4 11.6 16 16 A E H <5S- 0 0 90 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.668 104.7-131.2 -76.5 -19.3 29.8 42.2 14.6 17 17 A G T <5 + 0 0 33 -4,-0.8 68,-2.7 1,-0.2 69,-0.4 0.923 51.6 148.1 69.4 45.5 33.0 40.3 14.4 18 18 A R B < -F 84 0B 87 -5,-1.9 2,-0.3 66,-0.2 66,-0.2 -0.888 58.1 -99.0-113.1 143.4 33.3 39.3 18.1 19 19 A L - 0 0 16 64,-2.9 63,-2.9 -2,-0.4 2,-0.6 -0.446 41.7-164.9 -61.7 120.2 34.8 36.1 19.4 20 20 A L + 0 0 25 -2,-0.3 55,-0.1 61,-0.2 61,-0.1 -0.913 30.9 131.1-115.6 106.4 31.9 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 0.531 80.6 -11.2-115.6 -97.6 32.6 30.8 22.3 22 22 A W S S+ 0 0 86 51,-0.1 2,-0.4 56,-0.1 54,-0.1 0.484 93.8 119.0 -90.4 -2.5 30.6 29.8 25.3 23 23 A T - 0 0 44 1,-0.1 2,-1.8 29,-0.1 59,-0.1 -0.519 69.9-132.2 -62.3 121.1 28.6 33.1 25.3 24 24 A D + 0 0 81 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.426 38.5 170.2 -83.8 68.9 25.1 31.6 24.8 25 25 A L - 0 0 34 -2,-1.8 29,-0.6 1,-0.1 2,-0.1 -0.461 28.3-125.9 -79.2 148.2 23.7 33.8 22.0 26 26 A P - 0 0 77 0, 0.0 -14,-0.4 0, 0.0 2,-0.1 -0.376 33.2 -91.9 -85.6 169.1 20.5 33.0 20.1 27 27 A L - 0 0 19 -16,-0.1 -16,-0.2 26,-0.1 2,-0.1 -0.440 37.6-123.4 -76.8 156.0 20.2 32.7 16.4 28 28 A T > - 0 0 17 -18,-2.3 4,-2.1 -2,-0.1 5,-0.2 -0.397 35.2 -96.8 -88.0 175.0 19.2 35.8 14.4 29 29 A A H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.911 130.5 47.5 -59.9 -41.0 16.2 35.6 12.1 30 30 A E H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 107.1 57.4 -68.0 -34.6 18.5 34.9 9.2 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.890 107.3 47.4 -62.9 -38.8 20.2 32.3 11.3 32 32 A E H X S+ 0 0 55 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.868 110.1 53.3 -69.3 -35.5 16.9 30.5 11.8 33 33 A A H X S+ 0 0 21 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.910 108.1 50.3 -64.1 -42.2 16.3 30.8 8.1 34 34 A Q H X S+ 0 0 27 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.898 109.6 51.3 -62.3 -41.3 19.6 29.2 7.4 35 35 A A H >X S+ 0 0 0 -4,-1.9 3,-0.8 1,-0.2 4,-0.6 0.914 107.2 52.7 -63.7 -42.9 18.8 26.3 9.7 36 36 A R H >< S+ 0 0 126 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.855 103.5 57.8 -61.8 -35.7 15.5 25.7 8.1 37 37 A R H 3< S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.766 96.5 63.4 -66.7 -25.1 17.1 25.4 4.7 38 38 A L H XX S+ 0 0 2 -4,-0.9 3,-2.0 -3,-0.8 4,-1.0 0.749 78.7 102.3 -70.3 -23.6 19.3 22.6 6.0 39 39 A K T << S+ 0 0 140 -3,-1.0 24,-0.1 -4,-0.6 23,-0.1 -0.459 94.9 11.5 -64.0 122.4 16.2 20.5 6.5 40 40 A G T 34 S+ 0 0 81 22,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.245 116.6 78.0 93.2 -14.2 16.1 18.0 3.6 41 41 A A T <4 S+ 0 0 35 -3,-2.0 -2,-0.2 21,-0.1 -3,-0.1 0.520 84.5 69.9-101.4 -11.0 19.6 18.9 2.6 42 42 A L S < S- 0 0 14 -4,-1.0 -2,-0.3 20,-0.2 87,-0.0 -0.816 92.1-103.0-107.2 148.5 21.2 16.8 5.3 43 43 A P - 0 0 34 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.305 32.9-108.1 -68.8 152.8 21.2 13.0 5.5 44 44 A S S S+ 0 0 126 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.651 70.9 132.2 -83.3 87.7 18.8 11.1 7.8 45 45 A L - 0 0 48 -2,-1.6 83,-0.2 1,-0.1 84,-0.1 -0.868 67.4 -73.9-132.6 164.7 21.4 9.9 10.2 46 46 A P - 0 0 83 0, 0.0 83,-2.5 0, 0.0 2,-0.4 -0.290 57.2-141.9 -57.1 148.0 21.7 9.9 14.1 47 47 A A E -c 129 0A 12 18,-0.3 20,-2.0 81,-0.2 2,-0.3 -0.907 22.2-176.1-123.8 148.9 22.5 13.4 15.3 48 48 A F E -cd 130 67A 36 81,-2.4 83,-3.1 -2,-0.4 2,-0.3 -0.939 12.9-172.3-133.2 153.1 24.6 14.9 18.0 49 49 A S E -cd 131 68A 0 18,-2.0 20,-2.6 -2,-0.3 23,-0.2 -1.000 32.1-104.0-153.0 150.4 24.9 18.6 18.9 50 50 A S - 0 0 0 81,-2.2 6,-0.1 -2,-0.3 21,-0.0 -0.376 37.9-127.5 -60.6 150.4 26.7 21.1 21.0 51 51 A D S S+ 0 0 41 18,-0.3 -1,-0.1 4,-0.1 2,-0.1 0.513 74.8 113.1 -84.7 -2.5 24.5 21.9 24.0 52 52 A L S >> S- 0 0 5 1,-0.1 4,-2.5 18,-0.0 3,-1.1 -0.432 79.0-115.5 -69.9 142.7 24.7 25.7 23.3 53 53 A L H 3> S+ 0 0 56 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.851 110.6 53.8 -44.5 -52.4 21.5 27.3 22.2 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.0 1,-0.2 -45,-0.4 0.819 114.1 42.7 -59.0 -32.1 22.5 28.3 18.7 55 55 A A H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.928 114.5 49.0 -79.3 -46.9 23.6 24.8 17.9 56 56 A R H X S+ 0 0 93 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.912 112.7 48.6 -56.8 -45.2 20.6 23.1 19.5 57 57 A R H X S+ 0 0 74 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.852 109.0 52.9 -65.4 -35.9 18.2 25.4 17.7 58 58 A T H X S+ 0 0 0 -4,-1.0 4,-1.7 -5,-0.3 -1,-0.2 0.935 109.6 49.2 -65.1 -43.4 19.9 24.8 14.4 59 59 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.2 0.919 112.2 48.5 -60.3 -45.5 19.5 21.1 14.9 60 60 A E H ><5S+ 0 0 115 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.943 112.7 45.6 -61.2 -50.8 15.8 21.5 15.7 61 61 A L H 3<5S+ 0 0 28 -4,-2.6 -22,-0.2 1,-0.3 -1,-0.2 0.763 107.9 59.5 -66.0 -24.0 15.0 23.7 12.7 62 62 A A T 3<5S- 0 0 2 -4,-1.7 -22,-0.4 -5,-0.2 -1,-0.3 0.481 124.6-102.9 -81.9 -3.8 17.0 21.3 10.5 63 63 A G T < 5S+ 0 0 47 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.645 79.0 122.6 93.7 17.8 14.6 18.5 11.5 64 64 A F < - 0 0 32 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.726 52.0-152.9-113.9 162.3 16.7 16.6 14.0 65 65 A S - 0 0 126 -2,-0.2 -18,-0.3 2,-0.0 -5,-0.0 -0.751 36.2-168.8-129.8 77.3 16.4 15.5 17.7 66 66 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -18,-0.3 -0.240 26.4-117.8 -72.3 154.6 20.2 15.3 18.7 67 67 A R E -d 48 0A 166 -20,-2.0 -18,-2.0 -2,-0.0 2,-0.3 -0.800 41.6-121.9 -88.1 133.9 21.8 13.9 21.7 68 68 A L E +d 49 0A 79 -2,-0.5 -18,-0.2 -20,-0.2 -17,-0.1 -0.633 33.7 175.0 -87.3 136.8 23.6 16.8 23.4 69 69 A Y > - 0 0 50 -20,-2.6 3,-1.9 -2,-0.3 -18,-0.3 -0.968 27.1-155.0-140.6 119.9 27.3 16.8 24.1 70 70 A P G > S+ 0 0 66 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.739 92.6 77.6 -64.5 -20.3 29.3 19.7 25.6 71 71 A E G 3 S+ 0 0 76 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.701 87.5 58.1 -62.1 -18.5 32.3 18.2 23.8 72 72 A L G < S+ 0 0 1 -3,-1.9 61,-0.4 -23,-0.2 -22,-0.3 0.328 83.2 121.0 -93.6 6.7 31.0 19.7 20.6 73 73 A R S < S- 0 0 51 -3,-2.1 3,-0.1 -24,-0.1 -51,-0.1 -0.297 72.5-100.2 -69.0 157.0 31.0 23.2 22.0 74 74 A E - 0 0 20 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.192 60.1 -74.5 -63.9 165.6 33.0 26.0 20.4 75 75 A I - 0 0 5 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.358 49.3-112.2 -65.5 148.0 36.4 26.7 22.1 76 76 A H - 0 0 47 -55,-0.2 32,-2.7 1,-0.1 -1,-0.1 -0.753 27.4-167.3 -84.6 110.3 36.0 28.6 25.4 77 77 A F > - 0 0 15 -2,-0.8 3,-2.3 1,-0.2 30,-0.2 0.528 16.7-168.0 -77.0 -5.6 37.5 32.0 24.8 78 78 A G G > S+ 0 0 12 28,-0.3 3,-2.3 1,-0.3 28,-0.2 -0.279 71.8 1.9 56.2-131.7 37.6 32.9 28.5 79 79 A A G 3 S+ 0 0 78 26,-3.1 -1,-0.3 1,-0.3 27,-0.1 0.690 131.0 64.6 -60.4 -18.4 38.4 36.5 29.1 80 80 A L G X S+ 0 0 23 -3,-2.3 3,-2.2 25,-0.3 -1,-0.3 0.438 70.5 125.9 -86.2 1.1 38.4 37.0 25.4 81 81 A E T < S+ 0 0 39 -3,-2.3 -61,-0.2 1,-0.3 3,-0.1 -0.397 82.7 10.6 -59.2 130.7 34.7 36.1 25.0 82 82 A G T 3 S+ 0 0 11 -63,-2.9 -1,-0.3 1,-0.3 2,-0.1 0.390 91.9 146.4 81.7 -5.5 33.0 38.9 23.2 83 83 A A < - 0 0 27 -3,-2.2 -64,-2.9 -64,-0.2 -1,-0.3 -0.411 55.6-112.4 -68.2 138.2 36.3 40.6 22.2 84 84 A L B -F 18 0B 50 -66,-0.2 3,-0.4 1,-0.2 4,-0.4 -0.541 16.6-140.1 -69.0 132.1 36.3 42.3 18.8 85 85 A W S > S+ 0 0 94 -68,-2.7 3,-2.0 -2,-0.3 -1,-0.2 0.939 100.3 63.1 -57.1 -45.8 38.6 40.5 16.4 86 86 A E T 3 S+ 0 0 151 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.835 109.5 37.0 -46.0 -44.6 39.7 43.8 15.1 87 87 A T T 3 S+ 0 0 96 -3,-0.4 -1,-0.3 2,-0.0 -2,-0.2 0.279 85.3 127.4 -98.5 11.8 41.2 44.9 18.5 88 88 A L S < S- 0 0 8 -3,-2.0 5,-0.1 -4,-0.4 -3,-0.0 -0.448 74.3 -94.8 -69.3 138.2 42.6 41.5 19.5 89 89 A D >> - 0 0 79 1,-0.1 4,-2.3 -2,-0.1 3,-1.3 -0.250 34.3-118.1 -52.5 137.2 46.2 41.6 20.5 90 90 A P H 3> S+ 0 0 97 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.796 113.8 59.7 -48.4 -34.3 48.4 40.6 17.5 91 91 A R H 3> S+ 0 0 154 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.877 108.9 42.7 -64.9 -38.7 49.7 37.6 19.5 92 92 A Y H <> S+ 0 0 31 -3,-1.3 4,-2.5 2,-0.2 5,-0.2 0.895 112.3 53.8 -74.0 -40.8 46.2 36.2 19.8 93 93 A K H X S+ 0 0 51 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.942 111.9 45.0 -57.0 -48.4 45.3 37.1 16.2 94 94 A E H X S+ 0 0 119 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.902 111.1 53.5 -62.8 -42.4 48.4 35.1 15.0 95 95 A A H <>S+ 0 0 8 -4,-1.8 5,-2.1 1,-0.2 4,-0.4 0.896 113.7 42.5 -60.5 -41.3 47.6 32.2 17.4 96 96 A L H <5S+ 0 0 12 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.891 114.6 50.0 -74.0 -38.7 44.1 31.9 16.0 97 97 A L H <5S+ 0 0 105 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.924 119.4 36.7 -65.3 -43.4 45.1 32.4 12.4 98 98 A R T <5S- 0 0 92 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.486 106.8-132.4 -86.3 -3.2 47.9 29.8 12.6 99 99 A F T 5 + 0 0 15 -4,-0.4 2,-0.3 -5,-0.2 -3,-0.2 0.894 68.3 97.4 53.2 49.6 45.6 27.7 14.9 100 100 A Q < + 0 0 43 -5,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 -0.990 64.6 24.2-160.5 154.8 48.3 27.0 17.5 101 101 A G S S+ 0 0 52 136,-0.4 2,-0.5 -2,-0.3 -6,-0.1 0.914 74.1 145.7 53.8 52.1 49.7 28.3 20.9 102 102 A F + 0 0 5 -7,-0.1 8,-2.2 -3,-0.1 9,-0.3 -0.969 9.6 151.6-123.1 116.0 46.4 29.9 22.0 103 103 A H - 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