==== 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 2P6M . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,Y.MATSUURA,Y.MORIKAWA,H.SHIMADA,N.KUNISHIMA,RIKEN . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 71.8 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 . 32 9.4 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 . 31 9.1 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 . 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 0 4 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 . 3 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,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 121.7 33.7 7.2 9.2 2 2 A E E +A 159 0A 81 157,-0.2 126,-1.1 155,-0.1 2,-0.4 -0.546 360.0 172.3 -71.9 118.3 31.2 9.5 7.3 3 3 A L E -Ab 158 128A 1 155,-2.4 155,-2.6 -2,-0.5 2,-0.7 -0.994 23.8-151.6-130.9 133.2 30.5 12.5 9.5 4 4 A W E -Ab 157 129A 37 124,-2.6 126,-4.1 -2,-0.4 2,-0.5 -0.914 13.3-163.6-106.4 113.3 28.5 15.6 8.6 5 5 A L E -Ab 156 130A 1 151,-3.0 151,-2.5 -2,-0.7 2,-0.5 -0.851 4.4-163.5 -99.3 128.3 29.6 18.6 10.5 6 6 A V E -Ab 155 131A 0 124,-3.3 126,-3.2 -2,-0.5 2,-0.6 -0.937 12.8-143.9-115.1 128.6 27.3 21.6 10.5 7 7 A R E - b 0 132A 58 147,-2.6 146,-1.3 -2,-0.5 126,-0.2 -0.803 34.8-114.0 -88.7 125.1 28.2 25.1 11.5 8 8 A H - 0 0 11 124,-2.0 145,-1.3 -2,-0.6 146,-0.2 -0.023 38.8 -85.8 -54.3 160.2 25.2 26.7 13.3 9 9 A G - 0 0 0 45,-0.5 22,-0.2 143,-0.3 144,-0.1 -0.165 61.2 -74.5 -63.6 164.3 23.4 29.6 11.8 10 10 A E - 0 0 24 142,-0.2 18,-2.3 20,-0.1 21,-0.3 -0.201 41.5-163.7 -65.8 150.2 24.6 33.2 12.3 11 11 A T >> - 0 0 2 16,-0.3 3,-1.4 -3,-0.1 4,-0.7 -0.657 42.6 -92.2-118.4 176.2 24.3 35.2 15.5 12 12 A L H 3> S+ 0 0 71 14,-0.5 4,-1.8 1,-0.3 3,-0.3 0.847 122.3 63.4 -60.5 -35.5 24.7 38.9 16.0 13 13 A W H 3>>S+ 0 0 42 1,-0.2 5,-2.1 2,-0.2 4,-0.8 0.625 90.3 68.9 -71.9 -8.3 28.4 38.5 16.8 14 14 A N H <45S+ 0 0 66 -3,-1.4 -1,-0.2 3,-0.2 -2,-0.2 0.958 109.5 31.9 -70.2 -51.7 29.1 37.1 13.3 15 15 A R H <5S+ 0 0 158 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.765 119.4 55.2 -75.0 -24.9 28.5 40.4 11.5 16 16 A E H <5S- 0 0 85 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.695 106.6-131.9 -77.7 -18.9 29.8 42.3 14.5 17 17 A G T <5 + 0 0 33 -4,-0.8 68,-2.7 1,-0.2 2,-0.4 0.919 50.9 150.0 71.7 44.1 33.0 40.3 14.3 18 18 A R B < -F 84 0B 87 -5,-2.1 66,-0.2 66,-0.2 2,-0.2 -0.883 56.8-100.2-111.0 141.2 33.3 39.3 18.0 19 19 A L - 0 0 17 64,-3.1 63,-2.8 -2,-0.4 2,-0.6 -0.411 41.3-165.9 -60.2 120.9 34.9 36.2 19.3 20 20 A L + 0 0 24 -2,-0.2 55,-0.1 61,-0.2 -1,-0.1 -0.905 31.6 128.1-117.1 103.7 32.0 33.8 20.0 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.4 53,-0.1 55,-0.2 0.542 81.9 -8.4-116.6 -96.0 32.8 30.8 22.2 22 22 A W S S+ 0 0 91 51,-0.1 2,-0.4 53,-0.1 54,-0.1 0.509 96.6 115.2 -88.1 -4.0 30.9 29.8 25.3 23 23 A T S S- 0 0 42 1,-0.1 2,-2.0 29,-0.1 59,-0.1 -0.545 72.3-131.8 -64.5 121.9 28.9 33.0 25.3 24 24 A D + 0 0 80 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.396 39.0 170.4 -81.4 66.5 25.4 31.6 24.7 25 25 A M - 0 0 38 -2,-2.0 29,-0.5 1,-0.1 2,-0.1 -0.480 27.6-127.1 -76.1 144.9 24.2 34.0 21.9 26 26 A P - 0 0 70 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.415 29.4 -92.1 -87.5 166.9 21.0 33.1 20.1 27 27 A L - 0 0 20 -16,-0.2 -16,-0.3 -2,-0.1 2,-0.1 -0.453 38.5-126.7 -74.0 151.7 20.5 32.8 16.3 28 28 A T > - 0 0 20 -18,-2.3 4,-2.0 -2,-0.1 5,-0.2 -0.348 35.7 -93.7 -86.2 176.9 19.4 35.9 14.5 29 29 A A H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.922 131.7 47.0 -58.6 -43.9 16.4 35.8 12.2 30 30 A E H > S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.855 106.8 58.5 -66.1 -35.2 18.7 35.1 9.3 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.889 107.1 46.8 -61.6 -38.6 20.4 32.4 11.3 32 32 A E H X S+ 0 0 52 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.883 110.6 53.4 -69.7 -37.3 17.1 30.7 11.8 33 33 A A H X S+ 0 0 21 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.934 108.6 48.8 -61.6 -46.3 16.4 31.0 8.1 34 34 A Q H X S+ 0 0 30 -4,-2.9 4,-0.8 1,-0.2 -1,-0.2 0.882 110.9 52.2 -60.8 -38.1 19.8 29.4 7.3 35 35 A A H >X S+ 0 0 0 -4,-1.8 3,-0.9 -5,-0.2 4,-0.5 0.932 107.6 50.2 -64.4 -46.3 18.9 26.6 9.8 36 36 A R H >< S+ 0 0 121 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.868 104.0 59.1 -62.2 -36.2 15.6 25.9 8.1 37 37 A R H 3< S+ 0 0 89 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.786 95.8 64.9 -63.5 -24.5 17.2 25.7 4.7 38 38 A L H XX S+ 0 0 1 -3,-0.9 3,-1.8 -4,-0.8 4,-1.0 0.744 77.4 100.7 -70.2 -23.7 19.4 22.9 6.0 39 39 A K T << S+ 0 0 142 -3,-1.3 24,-0.1 -4,-0.5 23,-0.1 -0.493 94.5 14.1 -66.1 121.2 16.3 20.7 6.5 40 40 A G T 34 S+ 0 0 82 22,-0.4 -1,-0.3 -2,-0.4 -2,-0.1 0.172 115.1 77.7 98.5 -17.8 16.2 18.3 3.6 41 41 A A T <4 S+ 0 0 33 -3,-1.8 -2,-0.2 -4,-0.1 -3,-0.1 0.573 84.4 69.1 -97.4 -14.4 19.8 19.1 2.6 42 42 A L S < S- 0 0 14 -4,-1.0 -2,-0.3 20,-0.2 87,-0.1 -0.834 90.8-105.0-107.2 145.4 21.3 16.9 5.4 43 43 A P - 0 0 36 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.295 32.9-108.7 -67.0 149.9 21.2 13.1 5.4 44 44 A S + 0 0 124 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.651 69.4 134.2 -81.2 89.8 18.8 11.3 7.9 45 45 A L - 0 0 48 -2,-1.6 83,-0.2 1,-0.1 84,-0.1 -0.859 67.2 -71.2-131.9 165.2 21.5 10.0 10.3 46 46 A P - 0 0 82 0, 0.0 83,-2.5 0, 0.0 2,-0.4 -0.283 58.8-139.2 -55.3 147.6 21.7 9.9 14.1 47 47 A A E -c 129 0A 14 18,-0.2 20,-2.1 81,-0.2 2,-0.3 -0.915 24.1-179.4-122.3 144.1 22.4 13.4 15.3 48 48 A F E -cd 130 67A 40 81,-2.5 83,-3.0 -2,-0.4 2,-0.3 -0.942 12.9-177.3-130.8 151.3 24.6 15.0 18.0 49 49 A S E -cd 131 68A 0 18,-2.2 20,-2.4 -2,-0.3 23,-0.2 -0.999 33.4 -99.6-153.7 151.3 24.9 18.6 18.9 50 50 A S - 0 0 0 81,-2.4 6,-0.2 -2,-0.3 21,-0.0 -0.389 35.8-129.0 -60.1 147.4 26.7 21.2 21.0 51 51 A D S S+ 0 0 37 18,-0.3 2,-0.2 4,-0.1 -1,-0.1 0.534 75.1 112.2 -82.7 -3.9 24.5 22.0 24.0 52 52 A L S >> S- 0 0 5 1,-0.1 4,-2.3 4,-0.0 3,-1.3 -0.466 79.6-116.2 -68.2 139.6 24.9 25.8 23.3 53 53 A L H 3> S+ 0 0 54 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.825 110.0 54.7 -44.0 -49.3 21.7 27.4 22.2 54 54 A R H 3> S+ 0 0 0 -29,-0.5 4,-1.0 1,-0.2 -45,-0.5 0.820 114.2 42.0 -60.6 -31.6 22.7 28.4 18.7 55 55 A A H <> S+ 0 0 0 -3,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.937 115.1 48.6 -79.5 -49.7 23.7 24.9 17.9 56 56 A R H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 112.9 49.0 -54.8 -45.3 20.7 23.2 19.5 57 57 A R H X S+ 0 0 68 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.840 109.0 52.2 -66.0 -35.1 18.3 25.6 17.7 58 58 A T H X S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.3 -1,-0.2 0.919 109.5 49.9 -67.2 -42.0 20.0 25.0 14.4 59 59 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 4,-0.2 0.916 111.3 49.7 -60.9 -44.2 19.6 21.2 14.8 60 60 A E H ><5S+ 0 0 116 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.946 112.2 45.1 -61.0 -51.6 15.9 21.7 15.7 61 61 A L H 3<5S+ 0 0 24 -4,-2.4 -22,-0.2 1,-0.3 -1,-0.2 0.743 108.1 59.3 -66.5 -22.8 15.1 23.9 12.7 62 62 A A T 3<5S- 0 0 2 -4,-1.6 -22,-0.4 -5,-0.2 -1,-0.3 0.465 124.8-102.8 -84.1 -2.1 17.0 21.5 10.5 63 63 A G T < 5S+ 0 0 45 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.634 78.8 123.1 93.3 16.8 14.7 18.7 11.6 64 64 A F < - 0 0 32 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.725 51.0-154.7-113.2 161.7 16.8 16.8 14.1 65 65 A S - 0 0 124 -2,-0.3 -18,-0.2 2,-0.0 -16,-0.0 -0.744 35.7-172.8-130.6 77.2 16.5 15.8 17.7 66 66 A P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.253 28.0-115.2 -73.7 152.4 20.2 15.4 18.6 67 67 A R E -d 48 0A 169 -20,-2.1 -18,-2.2 -2,-0.0 2,-0.3 -0.791 41.0-120.1 -83.5 133.7 21.8 14.1 21.8 68 68 A L E +d 49 0A 77 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.579 33.8 175.5 -85.4 141.7 23.7 17.0 23.4 69 69 A Y > - 0 0 55 -20,-2.4 3,-1.8 -2,-0.3 -18,-0.3 -0.959 26.7-154.9-143.9 119.6 27.4 16.9 24.1 70 70 A P G > S+ 0 0 66 0, 0.0 3,-2.0 0, 0.0 -20,-0.1 0.738 92.7 76.8 -64.8 -20.1 29.4 19.8 25.6 71 71 A E G 3 S+ 0 0 73 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.688 88.6 57.5 -63.8 -17.1 32.4 18.2 23.8 72 72 A L G < S+ 0 0 0 -3,-1.8 61,-0.5 -23,-0.2 -22,-0.3 0.338 83.8 119.7 -94.1 4.6 31.1 19.7 20.6 73 73 A R S < S- 0 0 51 -3,-2.0 3,-0.1 -24,-0.1 -51,-0.1 -0.245 73.2 -98.7 -67.5 159.4 31.1 23.2 21.9 74 74 A E - 0 0 20 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.222 58.4 -76.2 -66.9 166.9 33.2 26.0 20.3 75 75 A I - 0 0 4 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.334 49.7-111.9 -64.5 150.7 36.5 26.7 22.0 76 76 A H - 0 0 47 -55,-0.2 32,-3.0 1,-0.1 -1,-0.1 -0.795 26.8-167.5 -89.4 112.2 36.2 28.7 25.3 77 77 A F > - 0 0 15 -2,-0.8 3,-2.3 1,-0.2 30,-0.3 0.528 17.5-168.1 -77.1 -6.4 37.7 32.1 24.6 78 78 A G G > S+ 0 0 12 28,-0.3 3,-2.1 1,-0.3 28,-0.2 -0.304 72.1 3.0 57.1-127.9 37.7 33.0 28.3 79 79 A A G 3 S+ 0 0 78 26,-3.0 -1,-0.3 1,-0.3 27,-0.1 0.726 130.4 64.6 -63.0 -20.0 38.4 36.7 28.9 80 80 A L G X S+ 0 0 24 -3,-2.3 3,-2.1 25,-0.3 -1,-0.3 0.468 70.9 123.6 -83.3 -0.8 38.5 37.1 25.1 81 81 A E T < S+ 0 0 36 -3,-2.1 -61,-0.2 1,-0.3 3,-0.1 -0.415 83.8 11.2 -59.0 131.7 34.8 36.1 24.9 82 82 A G T 3 S+ 0 0 13 -63,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.357 93.5 141.5 81.7 -7.4 33.0 39.0 23.1 83 83 A A < - 0 0 26 -3,-2.1 -64,-3.1 -64,-0.2 -1,-0.3 -0.436 57.9-111.7 -70.2 141.0 36.3 40.7 22.1 84 84 A L B -F 18 0B 42 -66,-0.2 4,-0.3 1,-0.2 3,-0.3 -0.542 14.8-138.0 -71.7 136.1 36.3 42.3 18.6 85 85 A W S > S+ 0 0 98 -68,-2.7 3,-1.7 -2,-0.2 -1,-0.2 0.923 103.1 61.7 -58.9 -42.9 38.6 40.4 16.2 86 86 A E T 3 S+ 0 0 150 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.862 108.0 40.2 -49.8 -45.4 39.8 43.8 15.0 87 87 A T T 3 S+ 0 0 96 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.328 85.8 127.0 -91.6 7.9 41.1 44.9 18.4 88 88 A L S < S- 0 0 7 -3,-1.7 5,-0.1 -4,-0.3 -3,-0.0 -0.460 73.2-101.2 -68.4 133.0 42.6 41.5 19.2 89 89 A D >> - 0 0 57 -2,-0.2 4,-2.2 1,-0.1 3,-1.5 -0.262 31.1-118.8 -53.0 137.0 46.3 41.7 20.1 90 90 A P H 3> S+ 0 0 96 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.830 113.8 60.7 -48.3 -37.1 48.4 40.6 17.1 91 91 A R H 3> S+ 0 0 191 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.854 109.0 41.9 -61.3 -35.9 49.8 37.7 19.2 92 92 A Y H <> S+ 0 0 69 -3,-1.5 4,-2.5 2,-0.2 5,-0.2 0.883 112.6 53.4 -77.3 -41.3 46.3 36.3 19.6 93 93 A K H X S+ 0 0 52 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.916 111.4 47.0 -57.1 -44.7 45.4 37.0 16.0 94 94 A E H X S+ 0 0 105 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.911 110.5 51.2 -64.8 -45.4 48.5 35.1 14.8 95 95 A A H X>S+ 0 0 10 -4,-1.6 5,-2.1 -5,-0.2 4,-0.6 0.906 114.1 44.3 -60.5 -42.4 47.8 32.1 17.2 96 96 A L H <5S+ 0 0 13 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.879 114.4 49.0 -71.7 -36.8 44.2 31.8 15.9 97 97 A L H <5S+ 0 0 94 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.931 119.2 37.7 -67.4 -44.9 45.3 32.3 12.2 98 98 A R H <5S- 0 0 85 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.528 107.3-132.7 -82.5 -6.4 48.0 29.6 12.5 99 99 A F T <5 + 0 0 14 -4,-0.6 2,-0.3 -5,-0.2 -3,-0.2 0.899 68.3 95.3 56.1 48.0 45.8 27.6 14.8 100 100 A Q < + 0 0 43 -5,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 -0.990 65.2 25.2-160.4 157.3 48.4 27.0 17.5 101 101 A G S S+ 0 0 55 136,-0.4 2,-0.5 -2,-0.3 -6,-0.1 0.911 74.4 144.1 51.6 52.6 49.8 28.3 20.8 102 102 A F + 0 0 5 -7,-0.1 8,-2.2 -3,-0.1 9,-0.3 -0.978 10.6 152.4-124.8 118.7 46.6 29.9 21.9 103 103 A H - 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