==== 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 22-MAR-07 2EKB . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.ASADA,M.TAKETA,Y.TANAKA,Y.MATSUURA,N.KUNISHIMA,RIKEN STRUC . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 71.6 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 . 28 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.6 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 4 3 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 79 0, 0.0 159,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 130.3 32.9 7.0 8.7 2 2 A E E +A 159 0A 83 157,-0.2 126,-0.8 155,-0.1 2,-0.4 -0.439 360.0 172.0 -65.4 121.2 30.5 9.4 7.0 3 3 A L E -Ab 158 128A 2 155,-2.7 155,-2.8 -2,-0.3 2,-0.5 -0.997 21.9-152.4-134.4 134.9 29.7 12.4 9.1 4 4 A W E -Ab 157 129A 37 124,-2.4 126,-3.6 -2,-0.4 2,-0.5 -0.925 12.1-164.5-107.5 127.3 27.8 15.6 8.2 5 5 A L E -Ab 156 130A 0 151,-3.3 151,-2.2 -2,-0.5 2,-0.5 -0.962 1.7-162.3-115.9 128.5 28.7 18.7 10.1 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-2.9 -2,-0.5 2,-0.6 -0.922 12.6-143.6-112.5 128.3 26.5 21.7 10.0 7 7 A R E - b 0 132A 57 147,-2.8 146,-1.2 -2,-0.5 147,-0.3 -0.805 36.6-113.8 -87.5 125.8 27.6 25.2 11.0 8 8 A H - 0 0 11 124,-2.0 145,-1.1 -2,-0.6 146,-0.2 -0.052 37.4 -84.9 -57.3 159.6 24.6 26.9 12.7 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 -1,-0.1 -0.155 60.6 -76.3 -61.8 161.7 22.7 29.8 11.3 10 10 A E - 0 0 25 20,-0.1 18,-2.2 142,-0.1 21,-0.3 -0.165 41.0-165.5 -64.2 151.2 24.0 33.4 11.8 11 11 A T >> - 0 0 2 16,-0.2 3,-1.8 -3,-0.1 4,-0.8 -0.724 43.7 -91.2-122.7 173.7 23.6 35.4 15.0 12 12 A L H 3> S+ 0 0 90 14,-0.5 4,-1.9 1,-0.3 3,-0.3 0.852 122.1 64.2 -58.3 -35.0 24.1 39.1 15.5 13 13 A W H 3>>S+ 0 0 46 1,-0.2 5,-1.9 2,-0.2 4,-1.0 0.587 91.0 65.7 -68.4 -9.2 27.8 38.6 16.4 14 14 A N H <45S+ 0 0 68 -3,-1.8 3,-0.3 2,-0.2 -1,-0.2 0.961 109.6 35.2 -74.5 -52.8 28.5 37.2 12.9 15 15 A R H <5S+ 0 0 157 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.1 0.823 120.6 51.5 -68.4 -31.0 27.8 40.5 11.2 16 16 A E H <5S- 0 0 89 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.688 104.4-131.8 -79.6 -19.7 29.3 42.4 14.2 17 17 A G T <5 + 0 0 32 -4,-1.0 68,-2.7 -3,-0.3 69,-0.4 0.909 50.9 149.6 70.3 43.0 32.5 40.3 14.2 18 18 A R B < -F 84 0B 88 -5,-1.9 2,-0.4 66,-0.2 66,-0.2 -0.870 57.4 -98.9-108.8 143.2 32.5 39.5 17.9 19 19 A M - 0 0 23 64,-3.0 63,-3.3 -2,-0.4 2,-0.7 -0.449 41.2-165.0 -64.2 116.2 34.1 36.3 19.3 20 20 A L + 0 0 25 -2,-0.4 55,-0.1 61,-0.2 -1,-0.1 -0.890 31.4 130.3-110.9 105.2 31.2 33.9 19.8 21 21 A G S S- 0 0 0 -2,-0.7 53,-0.4 53,-0.1 55,-0.2 0.505 81.6 -12.1-114.6 -99.9 31.9 30.9 22.0 22 22 A W S S+ 0 0 88 51,-0.1 2,-0.4 2,-0.1 54,-0.1 0.442 95.3 118.2 -89.3 -0.1 29.8 29.8 24.9 23 23 A T - 0 0 46 1,-0.1 2,-1.7 29,-0.1 59,-0.1 -0.560 69.6-131.8 -65.9 123.0 27.8 33.1 25.0 24 24 A D + 0 0 80 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.495 39.1 168.1 -84.6 75.0 24.3 31.7 24.3 25 25 A L - 0 0 36 -2,-1.7 29,-0.7 1,-0.1 2,-0.1 -0.537 29.9-123.3 -87.1 152.7 23.0 34.0 21.5 26 26 A P - 0 0 76 0, 0.0 -14,-0.5 0, 0.0 28,-0.1 -0.438 32.6 -95.1 -87.5 165.1 19.9 33.3 19.5 27 27 A L - 0 0 18 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.1 -0.394 37.2-123.2 -74.4 157.5 19.7 33.1 15.7 28 28 A T > - 0 0 17 -18,-2.2 4,-1.9 -2,-0.1 5,-0.2 -0.420 35.0 -95.6 -90.4 175.6 18.8 36.2 13.7 29 29 A A H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.890 131.0 46.9 -60.3 -38.7 15.8 36.1 11.3 30 30 A E H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.851 106.7 58.6 -70.8 -33.8 18.2 35.4 8.5 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.872 107.0 47.1 -62.4 -36.9 19.8 32.7 10.6 32 32 A E H X S+ 0 0 53 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.888 108.7 54.9 -71.0 -38.3 16.5 31.0 10.9 33 33 A A H X S+ 0 0 23 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.906 108.9 48.7 -59.7 -42.3 16.0 31.3 7.2 34 34 A Q H X S+ 0 0 24 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.931 110.6 50.4 -63.3 -46.0 19.3 29.6 6.6 35 35 A A H >< S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 4,-0.4 0.872 109.3 51.3 -61.1 -38.7 18.4 26.8 9.1 36 36 A R H >< S+ 0 0 120 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.862 102.4 59.5 -68.0 -35.8 15.1 26.2 7.3 37 37 A R H 3< S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.736 95.4 64.8 -65.4 -20.7 16.8 26.0 3.9 38 38 A L T XX S+ 0 0 0 -4,-0.8 3,-2.3 -3,-0.6 4,-0.9 0.712 76.9 103.3 -74.2 -20.6 18.7 23.0 5.3 39 39 A K T <4 S+ 0 0 145 -3,-1.3 24,-0.1 -4,-0.4 23,-0.1 -0.486 92.0 15.5 -65.3 122.8 15.5 21.0 5.6 40 40 A G T 34 S+ 0 0 85 22,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.428 115.2 77.9 92.4 -0.9 15.4 18.5 2.8 41 41 A A T <4 S+ 0 0 37 -3,-2.3 -2,-0.2 21,-0.1 -3,-0.1 0.514 81.0 70.8-114.1 -13.3 19.1 19.0 2.0 42 42 A L S < S- 0 0 17 -4,-0.9 -2,-0.3 20,-0.2 87,-0.0 -0.805 87.1-105.3-106.7 149.3 20.6 16.9 4.8 43 43 A P - 0 0 36 0, 0.0 2,-1.4 0, 0.0 -2,-0.1 -0.289 32.5-107.0 -70.6 155.8 20.5 13.1 5.0 44 44 A S + 0 0 123 84,-0.0 3,-0.0 20,-0.0 20,-0.0 -0.657 69.2 131.4 -86.0 87.8 18.2 11.2 7.4 45 45 A L - 0 0 51 -2,-1.4 83,-0.2 1,-0.1 84,-0.1 -0.827 69.4 -68.4-131.2 168.1 20.7 10.0 10.0 46 46 A P - 0 0 80 0, 0.0 83,-2.3 0, 0.0 2,-0.4 -0.351 59.8-142.2 -56.5 140.4 20.9 10.0 13.8 47 47 A A E -c 129 0A 15 81,-0.2 20,-2.1 18,-0.2 2,-0.3 -0.894 22.6-179.3-115.8 141.6 21.4 13.6 14.8 48 48 A F E -cd 130 67A 37 81,-2.5 83,-3.0 -2,-0.4 2,-0.3 -0.951 9.8-171.8-130.9 150.4 23.5 15.2 17.5 49 49 A S E -cd 131 68A 0 18,-1.9 20,-2.8 -2,-0.3 23,-0.2 -0.992 32.2-104.0-147.5 153.1 23.8 18.9 18.4 50 50 A S - 0 0 0 81,-2.2 6,-0.1 -2,-0.3 21,-0.0 -0.396 38.4-126.8 -63.0 152.7 25.7 21.3 20.5 51 51 A D S S+ 0 0 40 18,-0.3 -1,-0.1 4,-0.1 2,-0.1 0.555 74.5 113.7 -85.2 -4.9 23.4 22.2 23.4 52 52 A L S >> S- 0 0 5 1,-0.1 4,-2.4 4,-0.1 3,-1.4 -0.422 78.6-116.3 -68.3 138.2 23.8 26.0 22.7 53 53 A L H 3> S+ 0 0 53 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.828 111.0 53.5 -39.7 -53.1 20.6 27.7 21.6 54 54 A R H 3> S+ 0 0 0 -29,-0.7 4,-0.9 2,-0.2 -45,-0.4 0.828 114.3 42.6 -58.4 -33.5 21.8 28.7 18.1 55 55 A A H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 3,-0.4 0.959 114.9 48.1 -76.5 -54.3 22.8 25.1 17.3 56 56 A R H X S+ 0 0 87 -4,-2.4 4,-2.3 1,-0.3 -2,-0.2 0.904 112.6 49.6 -50.9 -48.7 19.7 23.4 18.8 57 57 A R H X S+ 0 0 76 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.3 0.830 108.7 52.9 -63.1 -33.3 17.4 25.9 17.0 58 58 A T H X S+ 0 0 0 -4,-0.9 4,-1.3 -3,-0.4 -1,-0.2 0.939 110.3 47.6 -67.0 -45.0 19.2 25.2 13.7 59 59 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 -2,-0.2 0.874 113.3 49.3 -61.6 -40.1 18.8 21.5 14.1 60 60 A E H ><5S+ 0 0 115 -4,-2.3 3,-1.9 -5,-0.2 -2,-0.2 0.955 111.9 45.7 -65.7 -51.6 15.1 22.0 14.9 61 61 A L H 3<5S+ 0 0 25 -4,-2.7 -22,-0.3 1,-0.3 -1,-0.2 0.710 104.9 64.9 -65.1 -20.4 14.4 24.3 12.0 62 62 A A T 3<5S- 0 0 3 -4,-1.3 -22,-0.4 -5,-0.2 -1,-0.3 0.329 124.5-102.3 -85.3 8.1 16.3 21.8 9.8 63 63 A G T < 5S+ 0 0 53 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.714 83.7 123.7 82.4 19.5 13.6 19.2 10.6 64 64 A F < - 0 0 33 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.775 50.8-159.9-114.5 160.0 15.7 17.3 13.1 65 65 A S - 0 0 125 -2,-0.3 -18,-0.2 -3,-0.1 -5,-0.1 -0.655 34.0-174.2-135.3 71.9 15.3 16.4 16.8 66 66 A P - 0 0 27 0, 0.0 2,-0.5 0, 0.0 -18,-0.3 -0.152 29.4-110.9 -70.4 159.6 18.9 15.8 17.9 67 67 A R E -d 48 0A 167 -20,-2.1 -18,-1.9 1,-0.0 2,-0.2 -0.821 41.6-120.4 -91.8 126.9 20.4 14.5 21.1 68 68 A L E +d 49 0A 82 -2,-0.5 -18,-0.2 -20,-0.2 -17,-0.1 -0.484 34.1 174.5 -76.4 135.7 22.2 17.3 22.9 69 69 A Y > - 0 0 60 -20,-2.8 3,-1.6 -2,-0.2 -18,-0.3 -0.971 27.5-154.5-142.1 121.2 26.0 17.1 23.7 70 70 A P G > S+ 0 0 65 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.745 91.7 77.6 -64.6 -22.9 28.1 19.9 25.2 71 71 A E G 3 S+ 0 0 75 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.706 87.8 58.5 -60.0 -19.9 31.1 18.3 23.5 72 72 A L G < S+ 0 0 0 -3,-1.6 61,-0.5 -23,-0.2 -22,-0.3 0.328 82.3 122.1 -93.7 8.0 29.9 19.8 20.2 73 73 A R S < S- 0 0 52 -3,-2.1 3,-0.1 -24,-0.1 -51,-0.1 -0.293 71.1-100.6 -70.3 155.6 30.1 23.4 21.5 74 74 A E - 0 0 20 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.155 60.3 -73.7 -62.3 166.8 32.2 26.1 19.9 75 75 A I - 0 0 6 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.351 49.0-112.5 -65.7 148.7 35.5 26.7 21.7 76 76 A H - 0 0 47 -55,-0.2 32,-2.9 1,-0.1 -1,-0.1 -0.770 27.5-167.6 -86.1 109.7 35.2 28.6 25.0 77 77 A F > - 0 0 13 -2,-0.8 3,-2.3 1,-0.2 30,-0.2 0.518 16.0-166.7 -76.2 -5.6 36.8 32.0 24.4 78 78 A G G > S+ 0 0 13 28,-0.3 3,-2.0 1,-0.3 28,-0.2 -0.312 72.5 2.1 57.6-129.9 36.9 32.9 28.1 79 79 A A G 3 S+ 0 0 78 26,-2.8 -1,-0.3 1,-0.3 27,-0.1 0.697 130.4 65.0 -62.5 -19.2 37.7 36.6 28.7 80 80 A L G X S+ 0 0 21 -3,-2.3 3,-2.3 25,-0.3 -61,-0.3 0.563 71.2 123.1 -82.0 -7.2 37.7 37.0 24.9 81 81 A E T < S+ 0 0 36 -3,-2.0 -61,-0.2 1,-0.3 3,-0.1 -0.326 84.4 8.2 -54.0 127.6 34.0 36.1 24.7 82 82 A G T 3 S+ 0 0 13 -63,-3.3 -1,-0.3 1,-0.3 -62,-0.1 0.357 94.7 137.4 82.9 -7.8 32.3 39.0 22.9 83 83 A A < - 0 0 25 -3,-2.3 -64,-3.0 -64,-0.2 2,-0.3 -0.416 62.5-106.0 -72.4 147.4 35.5 40.8 22.0 84 84 A L B >> -F 18 0B 45 -66,-0.2 3,-0.7 1,-0.2 4,-0.5 -0.581 18.5-137.6 -73.7 132.7 35.7 42.3 18.5 85 85 A W G >4 S+ 0 0 87 -68,-2.7 3,-1.8 -2,-0.3 -1,-0.2 0.932 104.2 61.9 -53.4 -45.1 38.0 40.3 16.3 86 86 A E G 34 S+ 0 0 148 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.827 105.9 43.1 -49.0 -41.4 39.4 43.6 15.1 87 87 A T G <4 S+ 0 0 92 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.2 0.392 83.3 126.1 -91.7 3.2 40.7 44.6 18.5 88 88 A L S << S- 0 0 8 -3,-1.8 5,-0.0 -4,-0.5 -3,-0.0 -0.364 72.8-101.2 -63.8 138.5 42.1 41.2 19.5 89 89 A D >> - 0 0 78 1,-0.1 4,-2.3 4,-0.1 3,-1.4 -0.332 33.3-115.5 -57.9 137.9 45.8 41.4 20.5 90 90 A P H 3> S+ 0 0 97 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.817 114.8 62.2 -46.4 -36.0 48.0 40.2 17.6 91 91 A R H 3> S+ 0 0 156 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.900 109.7 39.8 -59.6 -41.0 49.1 37.2 19.7 92 92 A Y H <> S+ 0 0 26 -3,-1.4 4,-2.7 2,-0.2 5,-0.2 0.910 114.7 52.6 -73.8 -43.4 45.5 35.9 19.8 93 93 A K H X S+ 0 0 48 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.946 113.0 43.9 -56.2 -50.8 44.8 36.9 16.2 94 94 A E H X S+ 0 0 128 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.898 111.9 53.9 -62.3 -41.5 47.9 35.0 15.0 95 95 A A H <>S+ 0 0 8 -4,-1.7 5,-2.4 -5,-0.3 4,-0.3 0.917 114.3 41.1 -59.2 -44.7 47.1 32.0 17.3 96 96 A L H <5S+ 0 0 12 -4,-2.7 3,-0.3 3,-0.2 -2,-0.2 0.882 114.8 50.6 -72.1 -39.3 43.6 31.8 15.8 97 97 A L H <5S+ 0 0 104 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.914 119.9 36.3 -65.0 -41.2 44.7 32.4 12.2 98 98 A R T <5S- 0 0 91 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.443 106.4-133.0 -89.5 -0.9 47.3 29.7 12.5 99 99 A F T 5 + 0 0 19 -4,-0.3 2,-0.3 -3,-0.3 -3,-0.2 0.925 67.2 103.6 48.0 58.2 45.0 27.6 14.7 100 100 A Q < + 0 0 35 -5,-2.4 -2,-0.2 -6,-0.1 -1,-0.2 -0.983 65.5 15.2-163.6 151.4 47.7 26.9 17.3 101 101 A G S S+ 0 0 51 136,-0.5 2,-0.5 -2,-0.3 -6,-0.1 0.909 72.7 154.8 46.8 56.5 48.9 27.9 20.7 102 102 A F + 0 0 6 -7,-0.1 8,-2.2 -3,-0.1 9,-0.3 -0.957 9.2 159.0-116.9 115.3 45.7 29.6 21.8 103 103 A H - 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