==== 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 08-MAR-07 2P2Z . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,M.TAKETA,Y.TANAKA,Y.MATSUURA,N.KUNISHIMA,RIKEN ST . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15118.0 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 . 31 9.1 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 . 91 26.7 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 2 0 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 66 0, 0.0 159,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 121.2 33.2 7.2 9.0 2 2 A E E +A 159 0A 81 157,-0.2 126,-1.2 155,-0.1 2,-0.4 -0.541 360.0 171.8 -71.4 118.0 30.8 9.5 7.2 3 3 A L E -Ab 158 128A 0 155,-2.4 155,-2.5 -2,-0.5 2,-0.7 -0.994 24.7-150.2-131.7 130.1 30.0 12.5 9.3 4 4 A W E -Ab 157 129A 38 124,-2.7 126,-3.7 -2,-0.4 2,-0.5 -0.879 14.3-162.7-102.1 109.9 28.1 15.7 8.3 5 5 A L E -Ab 156 130A 1 151,-3.1 151,-2.3 -2,-0.7 2,-0.5 -0.820 4.9-163.8 -94.9 125.8 29.3 18.7 10.3 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.0 -2,-0.5 2,-0.6 -0.924 12.7-143.9-113.1 127.3 26.9 21.6 10.3 7 7 A R E - b 0 132A 56 147,-2.8 146,-1.6 -2,-0.5 147,-0.4 -0.788 35.2-112.9 -87.4 125.4 27.9 25.2 11.3 8 8 A H - 0 0 13 124,-2.0 145,-1.0 -2,-0.6 146,-0.2 -0.030 37.7 -87.7 -54.8 157.7 25.0 26.8 13.1 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.1 -0.165 60.5 -76.2 -62.0 163.8 23.1 29.7 11.5 10 10 A E - 0 0 24 142,-0.1 18,-2.2 17,-0.1 2,-0.2 -0.170 40.5-166.1 -66.6 153.7 24.4 33.2 12.2 11 11 A T >> - 0 0 2 16,-0.2 3,-1.6 -3,-0.1 4,-0.8 -0.698 45.1 -88.1-124.1 177.0 24.0 35.3 15.4 12 12 A L H 3> S+ 0 0 89 14,-0.4 4,-2.0 1,-0.3 3,-0.3 0.847 122.2 64.2 -59.7 -35.2 24.5 39.0 15.9 13 13 A W H 3>>S+ 0 0 51 1,-0.2 5,-2.0 2,-0.2 4,-0.8 0.601 90.9 66.1 -69.0 -8.0 28.2 38.5 16.7 14 14 A N H <45S+ 0 0 67 -3,-1.6 3,-0.4 2,-0.2 -1,-0.2 0.963 109.6 35.2 -74.2 -53.0 28.9 37.1 13.2 15 15 A R H <5S+ 0 0 159 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.1 0.848 119.8 52.2 -67.7 -33.7 28.1 40.5 11.5 16 16 A E H <5S- 0 0 89 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.661 105.6-130.3 -76.9 -17.7 29.6 42.3 14.5 17 17 A G T <5 + 0 0 32 -4,-0.8 68,-2.6 -3,-0.4 69,-0.4 0.925 52.4 148.0 68.8 45.9 32.9 40.3 14.3 18 18 A R B < -F 84 0B 86 -5,-2.0 2,-0.3 66,-0.2 66,-0.2 -0.903 57.7-100.1-113.8 141.9 33.1 39.4 18.0 19 19 A L - 0 0 18 64,-2.9 63,-3.0 -2,-0.4 2,-0.6 -0.432 40.6-164.2 -61.4 121.3 34.6 36.1 19.3 20 20 A L + 0 0 25 -2,-0.3 55,-0.1 61,-0.2 -1,-0.1 -0.914 30.2 133.5-115.4 106.2 31.6 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 0.544 79.7 -13.0-113.8 -99.6 32.3 30.8 22.2 22 22 A W S S+ 0 0 88 51,-0.1 2,-0.4 56,-0.1 54,-0.1 0.478 94.7 119.5 -89.3 -2.8 30.2 29.7 25.2 23 23 A T - 0 0 44 1,-0.1 2,-1.9 29,-0.1 59,-0.1 -0.516 69.8-132.1 -61.9 119.9 28.3 33.0 25.2 24 24 A D + 0 0 83 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.415 38.8 169.5 -82.2 68.0 24.8 31.6 24.6 25 25 A L - 0 0 35 -2,-1.9 29,-0.6 1,-0.1 2,-0.1 -0.463 28.6-126.1 -79.0 148.6 23.5 33.9 21.8 26 26 A P - 0 0 76 0, 0.0 -14,-0.4 0, 0.0 2,-0.1 -0.402 33.1 -91.9 -86.8 167.1 20.3 33.1 19.9 27 27 A L - 0 0 18 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.1 -0.423 37.4-124.4 -75.4 155.0 20.0 32.9 16.1 28 28 A T > - 0 0 17 -18,-2.2 4,-2.0 -2,-0.1 5,-0.2 -0.366 35.5 -95.5 -87.5 177.0 19.1 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 0.917 130.7 46.2 -60.9 -43.0 16.1 36.0 11.8 30 30 A E H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.891 107.8 58.2 -66.2 -38.2 18.5 35.2 8.9 31 31 A G H > S+ 0 0 0 -21,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 106.9 47.2 -58.4 -39.8 20.2 32.6 11.0 32 32 A E H X S+ 0 0 53 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.870 110.1 53.4 -69.0 -36.6 16.8 30.8 11.5 33 33 A A H X S+ 0 0 21 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.913 107.7 50.9 -63.4 -42.2 16.2 31.1 7.7 34 34 A Q H X S+ 0 0 28 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.903 109.0 51.8 -61.7 -41.5 19.6 29.4 7.1 35 35 A A H >X S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 4,-0.5 0.892 108.1 51.0 -63.4 -40.6 18.7 26.6 9.4 36 36 A R H >< S+ 0 0 125 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.878 102.7 59.4 -65.9 -37.3 15.4 26.0 7.7 37 37 A R H 3< S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.728 96.7 63.6 -63.8 -20.3 17.1 25.8 4.3 38 38 A L H XX S+ 0 0 0 -4,-0.7 3,-2.3 -3,-0.7 4,-1.0 0.729 77.8 101.1 -76.2 -21.9 19.1 22.9 5.7 39 39 A K T << S+ 0 0 137 -3,-1.4 24,-0.1 -4,-0.5 23,-0.1 -0.464 94.0 15.2 -65.4 123.6 16.0 20.8 6.1 40 40 A G T 34 S+ 0 0 85 22,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.406 115.2 78.3 92.0 -5.0 15.9 18.4 3.2 41 41 A A T <4 S+ 0 0 34 -3,-2.3 -2,-0.2 21,-0.1 -3,-0.1 0.531 83.3 68.4-109.0 -14.5 19.5 19.1 2.3 42 42 A L S < S- 0 0 16 -4,-1.0 -2,-0.3 20,-0.2 87,-0.1 -0.824 90.0-104.4-107.8 147.2 21.0 16.9 5.1 43 43 A P - 0 0 36 0, 0.0 2,-1.5 0, 0.0 -2,-0.1 -0.311 33.1-108.1 -68.3 151.3 20.8 13.1 5.2 44 44 A S S S+ 0 0 123 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.648 70.0 132.7 -82.2 89.8 18.4 11.3 7.6 45 45 A L - 0 0 48 -2,-1.5 83,-0.2 1,-0.1 84,-0.1 -0.853 67.8 -70.7-133.1 166.5 21.0 10.0 10.0 46 46 A P - 0 0 81 0, 0.0 83,-2.4 0, 0.0 2,-0.4 -0.312 58.9-140.3 -57.1 146.1 21.3 9.9 13.8 47 47 A A E -c 129 0A 12 18,-0.3 20,-2.1 81,-0.2 2,-0.3 -0.896 22.6-177.1-120.0 146.1 22.0 13.5 15.0 48 48 A F E -cd 130 67A 43 81,-2.6 83,-3.0 -2,-0.4 2,-0.3 -0.943 12.3-174.6-131.7 151.6 24.2 15.0 17.7 49 49 A S E -cd 131 68A 0 18,-2.0 20,-2.7 -2,-0.3 23,-0.2 -1.000 33.0-104.3-153.2 152.4 24.5 18.6 18.7 50 50 A S - 0 0 0 81,-2.1 6,-0.1 -2,-0.3 21,-0.0 -0.421 37.6-128.2 -63.6 149.0 26.3 21.1 20.8 51 51 A D S S+ 0 0 41 18,-0.2 -1,-0.1 4,-0.1 2,-0.1 0.522 73.8 114.4 -83.0 -3.5 24.0 22.0 23.7 52 52 A L S >> S- 0 0 4 1,-0.1 4,-2.5 4,-0.1 3,-1.0 -0.430 78.2-116.4 -68.9 140.7 24.4 25.7 23.0 53 53 A L H 3> S+ 0 0 51 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.828 110.6 53.3 -43.7 -51.4 21.2 27.4 21.9 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-1.2 1,-0.2 -45,-0.4 0.852 114.1 43.2 -59.4 -35.2 22.3 28.5 18.4 55 55 A A H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.944 114.7 47.9 -75.3 -49.4 23.3 24.9 17.6 56 56 A R H X S+ 0 0 86 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 112.8 49.5 -56.9 -44.2 20.2 23.2 19.2 57 57 A R H X S+ 0 0 69 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.857 109.4 51.4 -64.9 -36.4 17.9 25.7 17.4 58 58 A T H X S+ 0 0 0 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.925 110.1 49.9 -65.7 -43.0 19.7 25.0 14.1 59 59 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 -2,-0.2 0.913 112.7 47.7 -60.5 -43.8 19.2 21.3 14.6 60 60 A E H ><5S+ 0 0 116 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.966 112.3 46.0 -62.8 -55.1 15.6 21.8 15.3 61 61 A L H 3<5S+ 0 0 23 -4,-2.7 -22,-0.2 1,-0.3 -1,-0.2 0.730 108.3 59.6 -61.8 -21.6 14.8 24.0 12.4 62 62 A A T 3<5S- 0 0 2 -4,-1.5 -22,-0.4 -5,-0.2 -1,-0.3 0.460 124.2-104.0 -85.5 -2.2 16.7 21.6 10.2 63 63 A G T < 5S+ 0 0 45 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.766 77.6 123.4 88.1 28.4 14.3 18.8 11.2 64 64 A F < - 0 0 30 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.813 51.8-152.3-121.7 161.4 16.4 16.8 13.7 65 65 A S - 0 0 125 -2,-0.3 -18,-0.3 2,-0.0 -5,-0.1 -0.715 35.6-170.2-129.2 75.4 16.1 15.7 17.4 66 66 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -18,-0.3 -0.255 26.7-119.2 -71.2 151.8 19.8 15.5 18.4 67 67 A R E -d 48 0A 170 -20,-2.1 -18,-2.0 -2,-0.0 2,-0.3 -0.782 41.4-120.6 -86.8 133.9 21.3 14.0 21.5 68 68 A L E +d 49 0A 79 -2,-0.5 -18,-0.2 -20,-0.2 -17,-0.1 -0.610 34.3 174.4 -85.9 138.1 23.2 16.9 23.2 69 69 A Y > - 0 0 60 -20,-2.7 3,-2.0 -2,-0.3 -18,-0.2 -0.953 26.4-155.4-142.7 116.5 26.9 16.8 23.9 70 70 A P G > S+ 0 0 68 0, 0.0 3,-2.2 0, 0.0 -20,-0.1 0.727 91.6 78.7 -62.3 -19.9 28.8 19.8 25.3 71 71 A E G 3 S+ 0 0 75 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.691 87.0 58.2 -62.1 -17.9 31.9 18.2 23.7 72 72 A L G < S+ 0 0 1 -3,-2.0 61,-0.4 -23,-0.2 -22,-0.3 0.345 83.1 121.1 -93.2 5.2 30.6 19.7 20.4 73 73 A R S < S- 0 0 50 -3,-2.2 3,-0.1 -24,-0.1 -51,-0.1 -0.264 72.1-100.2 -68.1 158.2 30.7 23.2 21.8 74 74 A E - 0 0 19 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.161 59.9 -73.7 -64.8 168.0 32.8 26.0 20.2 75 75 A I - 0 0 4 -55,-0.1 2,-0.9 1,-0.1 -1,-0.2 -0.374 48.7-113.5 -66.2 148.9 36.1 26.7 22.0 76 76 A H - 0 0 45 -55,-0.2 32,-2.9 1,-0.1 -1,-0.1 -0.775 26.9-167.1 -86.7 108.0 35.7 28.5 25.3 77 77 A F > - 0 0 16 -2,-0.9 3,-2.4 1,-0.2 30,-0.2 0.524 16.9-167.1 -73.9 -5.8 37.3 31.9 24.7 78 78 A G G > S+ 0 0 12 28,-0.3 3,-2.1 1,-0.3 28,-0.2 -0.299 72.2 2.4 56.6-130.1 37.4 32.7 28.4 79 79 A A G 3 S+ 0 0 78 26,-3.2 -1,-0.3 1,-0.3 27,-0.1 0.644 130.7 64.8 -63.1 -14.2 38.1 36.4 29.0 80 80 A L G X S+ 0 0 21 -3,-2.4 3,-2.4 25,-0.3 -1,-0.3 0.463 70.7 126.3 -88.5 -0.7 38.2 36.9 25.2 81 81 A E T < S+ 0 0 39 -3,-2.1 -61,-0.2 1,-0.3 3,-0.1 -0.347 82.7 9.6 -56.9 129.8 34.5 36.0 24.9 82 82 A G T 3 S+ 0 0 10 -63,-3.0 -1,-0.3 1,-0.3 -62,-0.1 0.443 92.7 148.0 80.3 -2.4 32.8 38.8 23.0 83 83 A A < - 0 0 26 -3,-2.4 -64,-2.9 -64,-0.2 2,-0.4 -0.415 55.0-111.6 -69.4 140.2 36.1 40.5 22.1 84 84 A L B > -F 18 0B 49 -66,-0.2 3,-0.5 1,-0.2 4,-0.4 -0.584 17.4-142.2 -71.0 127.2 36.1 42.3 18.7 85 85 A W G > S+ 0 0 96 -68,-2.6 3,-1.9 -2,-0.4 -1,-0.2 0.934 99.1 63.3 -53.6 -47.3 38.4 40.4 16.4 86 86 A E G 3 S+ 0 0 141 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.847 109.7 36.1 -43.8 -48.1 39.6 43.8 15.1 87 87 A T G < S+ 0 0 95 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.293 85.1 130.5 -96.3 10.3 41.1 44.8 18.4 88 88 A L S < S- 0 0 8 -3,-1.9 5,-0.1 -4,-0.4 -3,-0.0 -0.379 71.6 -95.5 -65.1 139.1 42.4 41.5 19.5 89 89 A D >> - 0 0 76 1,-0.1 4,-2.2 3,-0.1 3,-1.5 -0.274 34.3-116.5 -55.1 137.4 46.0 41.5 20.7 90 90 A P H 3> S+ 0 0 97 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.807 114.3 58.6 -46.1 -37.7 48.4 40.5 17.8 91 91 A R H 3> S+ 0 0 155 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.870 110.4 42.9 -63.7 -36.3 49.5 37.4 19.7 92 92 A Y H <> S+ 0 0 23 -3,-1.5 4,-2.5 2,-0.2 5,-0.2 0.891 112.2 51.6 -76.2 -42.1 45.9 36.2 19.9 93 93 A K H X S+ 0 0 54 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.940 113.2 46.9 -58.7 -45.9 45.1 37.0 16.3 94 94 A E H X S+ 0 0 123 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.913 110.5 51.4 -62.8 -43.6 48.2 35.1 15.2 95 95 A A H <>S+ 0 0 8 -4,-1.7 5,-2.1 -5,-0.2 4,-0.3 0.890 115.5 42.4 -61.8 -39.4 47.4 32.1 17.4 96 96 A L H <5S+ 0 0 13 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.859 114.7 49.8 -76.0 -35.6 43.9 32.0 15.9 97 97 A L H <5S+ 0 0 104 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.930 120.9 34.9 -67.7 -44.7 45.0 32.6 12.4 98 98 A R T <5S- 0 0 99 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.470 106.3-132.5 -87.4 -2.5 47.7 29.9 12.6 99 99 A F T 5 + 0 0 16 -4,-0.3 2,-0.3 -5,-0.2 -3,-0.2 0.900 68.3 101.4 52.7 49.5 45.4 27.8 14.8 100 100 A Q < + 0 0 43 -5,-2.1 -2,-0.2 -6,-0.2 -1,-0.2 -0.990 65.3 19.5-158.7 151.4 48.2 27.1 17.4 101 101 A G + 0 0 32 136,-0.5 2,-0.6 -2,-0.3 -6,-0.1 0.897 69.8 158.9 54.4 49.4 49.4 28.2 20.8 102 102 A F + 0 0 1 -7,-0.2 8,-1.5 -8,-0.1 9,-0.3 -0.909 9.2 165.6-108.1 112.9 46.2 29.8 21.9 103 103 A H - 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