==== 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 27-MAR-07 2PA0 . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,Y.TANAKA,Y.MATSUURA,T.NAKAMOTO,N.KUNISHIMA,RIKEN . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 72.1 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 . 32 9.4 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 . 94 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 84 0, 0.0 159,-2.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 135.7 32.6 6.9 8.7 2 2 A E E +A 159 0A 83 157,-0.2 126,-0.7 155,-0.1 2,-0.4 -0.383 360.0 172.1 -64.2 127.5 30.3 9.2 6.9 3 3 A L E -Ab 158 128A 2 155,-2.7 155,-2.8 124,-0.2 2,-0.5 -1.000 23.0-150.9-140.4 138.0 29.4 12.3 8.9 4 4 A W E -Ab 157 129A 37 124,-2.8 126,-4.4 -2,-0.4 2,-0.5 -0.945 13.7-164.5-111.9 121.3 27.4 15.5 8.1 5 5 A L E -Ab 156 130A 0 151,-3.2 151,-2.2 -2,-0.5 2,-0.5 -0.896 2.6-162.3-108.1 130.2 28.4 18.6 10.0 6 6 A V E -Ab 155 131A 0 124,-3.8 126,-3.1 -2,-0.5 2,-0.5 -0.935 10.8-147.1-117.9 128.3 26.1 21.7 10.0 7 7 A R E - b 0 132A 50 147,-2.4 146,-1.1 -2,-0.5 126,-0.2 -0.791 33.1-115.7 -88.8 128.7 27.1 25.2 10.9 8 8 A H - 0 0 15 124,-1.7 145,-0.8 -2,-0.5 146,-0.2 -0.126 36.6 -87.5 -62.0 158.4 24.1 27.0 12.5 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.1 -0.131 59.7 -77.1 -61.3 164.3 22.5 30.1 10.9 10 10 A E - 0 0 24 142,-0.2 18,-2.2 20,-0.1 21,-0.3 -0.193 39.5-164.4 -68.0 155.2 23.9 33.5 11.6 11 11 A T >> - 0 0 2 16,-0.3 3,-1.2 -3,-0.1 4,-0.8 -0.717 42.2 -92.7-124.1 174.0 23.4 35.6 14.8 12 12 A L H 3> S+ 0 0 86 14,-0.5 4,-2.1 1,-0.2 3,-0.5 0.885 120.7 63.1 -59.8 -41.9 24.0 39.3 15.2 13 13 A W H 3>>S+ 0 0 51 1,-0.2 5,-2.8 2,-0.2 4,-0.9 0.701 94.6 63.3 -59.4 -19.3 27.6 38.8 16.4 14 14 A N H <45S+ 0 0 70 -3,-1.2 3,-0.3 2,-0.2 -1,-0.2 0.953 109.4 36.8 -70.3 -48.8 28.5 37.3 13.1 15 15 A R H <5S+ 0 0 156 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.803 118.5 52.7 -72.2 -27.5 27.8 40.5 11.1 16 16 A E H <5S- 0 0 86 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.661 109.6-126.6 -80.3 -16.7 29.2 42.5 14.0 17 17 A G T <5 + 0 0 31 -4,-0.9 68,-3.0 -3,-0.3 2,-0.4 0.928 56.1 146.3 72.0 45.1 32.4 40.4 14.1 18 18 A R B < -F 84 0B 89 -5,-2.8 66,-0.2 66,-0.3 -1,-0.2 -0.913 56.3-103.8-114.7 142.2 32.3 39.4 17.7 19 19 A L - 0 0 18 64,-2.7 63,-3.0 -2,-0.4 2,-0.6 -0.456 36.5-165.7 -65.0 127.1 33.6 36.1 19.1 20 20 A L + 0 0 23 -2,-0.2 55,-0.1 61,-0.2 61,-0.1 -0.933 27.8 137.1-121.5 107.7 30.6 33.9 19.9 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.4 57,-0.1 55,-0.2 0.539 78.7 -13.8-111.3-102.0 31.3 30.9 22.0 22 22 A W S S+ 0 0 88 51,-0.1 2,-0.4 56,-0.1 54,-0.1 0.399 96.2 119.4 -88.3 1.1 29.2 29.7 24.9 23 23 A T - 0 0 44 1,-0.1 2,-1.6 29,-0.0 59,-0.1 -0.571 68.9-133.3 -66.6 122.3 27.3 33.0 25.0 24 24 A D + 0 0 86 -2,-0.4 -1,-0.1 29,-0.1 -2,-0.1 -0.527 41.5 161.9 -86.6 75.6 23.8 31.7 24.3 25 25 A L - 0 0 43 -2,-1.6 29,-0.6 1,-0.1 2,-0.1 -0.656 34.1-124.0 -93.9 149.3 22.5 34.1 21.6 26 26 A P - 0 0 74 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.393 31.3-101.2 -85.5 165.5 19.6 33.5 19.2 27 27 A M - 0 0 18 -16,-0.2 -16,-0.3 1,-0.1 2,-0.1 -0.392 32.8-114.7 -82.3 165.8 19.8 33.6 15.5 28 28 A T > - 0 0 21 -18,-2.2 4,-1.9 -2,-0.1 5,-0.2 -0.365 38.7 -95.0 -87.9 176.6 18.7 36.6 13.4 29 29 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.914 129.4 51.7 -60.8 -41.7 15.8 36.2 10.9 30 30 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.846 105.7 56.2 -62.7 -34.0 18.2 35.5 8.1 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.918 106.9 48.7 -64.0 -42.4 19.8 32.8 10.3 32 32 A E H X S+ 0 0 50 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.871 110.4 51.4 -64.4 -37.0 16.4 31.1 10.7 33 33 A A H X S+ 0 0 25 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.888 107.5 52.7 -67.4 -39.0 15.9 31.3 6.9 34 34 A Q H X S+ 0 0 31 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.910 109.3 50.0 -62.8 -40.9 19.3 29.7 6.3 35 35 A A H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 4,-0.4 0.899 108.5 51.7 -64.9 -42.0 18.3 26.9 8.7 36 36 A R H >< S+ 0 0 125 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.891 101.1 61.9 -63.0 -38.5 15.0 26.3 6.8 37 37 A R H 3< S+ 0 0 91 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.750 94.3 64.5 -59.0 -24.0 16.8 26.1 3.5 38 38 A L T XX S+ 0 0 0 -3,-0.9 3,-2.2 -4,-0.7 4,-1.1 0.723 76.7 107.8 -73.2 -20.6 18.6 23.1 4.8 39 39 A K T <4 S+ 0 0 123 -3,-1.9 24,-0.1 -4,-0.4 23,-0.1 -0.370 88.7 13.0 -61.3 130.3 15.4 21.1 5.1 40 40 A G T 34 S+ 0 0 84 22,-0.4 -1,-0.3 2,-0.2 -2,-0.1 0.342 115.5 78.6 86.1 -7.3 15.2 18.4 2.4 41 41 A A T <4 S+ 0 0 36 -3,-2.2 -2,-0.2 21,-0.1 -3,-0.1 0.674 78.7 72.9-103.7 -24.4 18.9 18.9 1.6 42 42 A L S < S- 0 0 16 -4,-1.1 -2,-0.2 20,-0.2 87,-0.0 -0.609 89.5-103.8 -91.4 152.6 20.4 16.9 4.5 43 43 A P - 0 0 35 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 -0.344 34.2-104.9 -72.6 157.2 20.3 13.1 4.6 44 44 A S S S+ 0 0 126 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.620 70.0 137.1 -83.1 83.7 17.8 11.3 7.0 45 45 A L - 0 0 46 -2,-1.7 83,-0.2 1,-0.1 84,-0.1 -0.843 65.9 -76.6-126.5 162.7 20.3 10.2 9.6 46 46 A P - 0 0 79 0, 0.0 83,-2.1 0, 0.0 2,-0.4 -0.284 57.5-137.0 -54.1 146.1 20.2 10.2 13.4 47 47 A A E -c 129 0A 12 18,-0.3 20,-2.2 81,-0.2 2,-0.3 -0.911 24.6-179.3-119.0 141.7 20.8 13.8 14.5 48 48 A F E -cd 130 67A 39 81,-2.3 83,-3.0 -2,-0.4 2,-0.3 -0.961 11.7-176.3-130.9 147.4 22.9 15.3 17.3 49 49 A S E -cd 131 68A 0 18,-2.2 20,-2.8 -2,-0.3 23,-0.2 -0.990 33.7-100.1-149.0 155.1 23.3 18.9 18.2 50 50 A S - 0 0 0 81,-2.1 6,-0.2 -2,-0.3 21,-0.0 -0.350 37.8-127.5 -62.1 152.8 25.0 21.4 20.4 51 51 A D S S+ 0 0 40 18,-0.2 -1,-0.1 4,-0.1 2,-0.1 0.583 75.8 111.6 -83.4 -9.0 22.7 22.3 23.3 52 52 A L S >> S- 0 0 7 1,-0.1 4,-1.9 18,-0.1 3,-1.1 -0.398 79.4-116.3 -66.8 141.9 23.1 26.0 22.6 53 53 A L H 3> S+ 0 0 53 1,-0.3 4,-2.4 2,-0.2 5,-0.3 0.851 109.6 53.4 -44.2 -54.3 19.9 27.7 21.3 54 54 A R H 3> S+ 0 0 0 -29,-0.6 4,-0.9 1,-0.2 -45,-0.4 0.799 112.0 47.5 -59.3 -29.6 21.1 28.7 17.8 55 55 A A H <> S+ 0 0 1 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.953 114.4 40.6 -77.4 -52.8 22.3 25.2 17.1 56 56 A R H X S+ 0 0 105 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.811 113.4 55.6 -71.6 -25.0 19.2 23.1 18.1 57 57 A R H X S+ 0 0 69 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.860 107.4 50.1 -69.8 -33.7 16.9 25.7 16.6 58 58 A T H X S+ 0 0 0 -4,-0.9 4,-1.6 -5,-0.3 -2,-0.2 0.907 110.3 50.7 -64.9 -38.3 18.8 25.2 13.4 59 59 A A H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.3 0.950 112.3 46.9 -61.9 -48.6 18.3 21.5 13.9 60 60 A E H ><5S+ 0 0 110 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.951 112.8 46.9 -58.0 -54.5 14.6 22.0 14.4 61 61 A L H 3<5S+ 0 0 20 -4,-2.8 -1,-0.2 1,-0.3 -22,-0.2 0.768 106.7 59.4 -61.8 -25.8 14.1 24.3 11.4 62 62 A A T 3<5S- 0 0 2 -4,-1.6 -22,-0.4 -5,-0.2 -1,-0.3 0.554 126.0-102.9 -79.4 -7.1 16.0 21.9 9.3 63 63 A G T < 5S+ 0 0 44 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.2 0.730 80.0 122.4 93.7 25.3 13.4 19.3 10.2 64 64 A F < - 0 0 43 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.760 52.0-152.5-117.6 164.1 15.3 17.3 12.8 65 65 A S - 0 0 120 -2,-0.3 -18,-0.3 2,-0.0 2,-0.1 -0.757 34.4-172.5-131.8 76.9 14.8 16.3 16.5 66 66 A P - 0 0 25 0, 0.0 2,-0.3 0, 0.0 -18,-0.3 -0.364 27.0-118.9 -79.7 150.4 18.4 15.9 17.6 67 67 A R E -d 48 0A 168 -20,-2.2 -18,-2.2 -2,-0.1 2,-0.3 -0.713 40.8-117.9 -79.2 140.5 19.7 14.5 20.9 68 68 A L E +d 49 0A 78 -2,-0.3 -18,-0.2 -20,-0.2 -17,-0.1 -0.636 33.6 175.8 -92.2 141.5 21.7 17.3 22.6 69 69 A Y > - 0 0 57 -20,-2.8 3,-2.0 -2,-0.3 -18,-0.2 -0.947 25.5-154.1-143.3 117.4 25.4 17.1 23.5 70 70 A P G > S+ 0 0 66 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.782 92.3 75.8 -58.9 -26.2 27.4 19.9 25.0 71 71 A E G 3 S+ 0 0 72 1,-0.3 49,-0.2 -22,-0.1 -21,-0.1 0.693 87.5 59.7 -60.2 -19.1 30.5 18.4 23.4 72 72 A L G < S+ 0 0 0 -3,-2.0 61,-0.5 -23,-0.2 -22,-0.3 0.308 83.1 119.6 -92.5 8.5 29.3 19.8 20.1 73 73 A R S < S- 0 0 50 -3,-2.3 3,-0.1 1,-0.1 -51,-0.1 -0.270 72.6 -99.5 -70.8 160.3 29.5 23.4 21.4 74 74 A E - 0 0 19 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.172 59.4 -73.7 -67.2 169.6 31.7 26.1 19.9 75 75 A I - 0 0 5 -55,-0.1 2,-0.9 1,-0.1 -1,-0.2 -0.406 48.0-113.8 -68.7 146.6 34.9 26.7 21.7 76 76 A H - 0 0 47 -55,-0.2 32,-2.6 1,-0.1 -1,-0.1 -0.757 25.8-164.0 -83.5 108.1 34.5 28.6 25.0 77 77 A F > - 0 0 16 -2,-0.9 3,-2.5 1,-0.2 30,-0.2 0.423 17.6-161.1 -73.8 1.0 36.2 32.0 24.4 78 78 A G G > S- 0 0 12 28,-0.3 3,-2.0 1,-0.3 -1,-0.2 -0.274 72.9 -2.3 55.1-131.6 36.4 32.8 28.1 79 79 A A G 3 S+ 0 0 76 26,-2.7 -1,-0.3 1,-0.3 27,-0.1 0.649 129.9 69.9 -65.0 -13.0 37.0 36.5 28.7 80 80 A L G X + 0 0 18 -3,-2.5 3,-2.1 25,-0.3 -61,-0.3 0.479 67.6 124.3 -84.9 -0.7 37.1 36.8 24.9 81 81 A E T < S+ 0 0 36 -3,-2.0 -61,-0.2 1,-0.3 3,-0.1 -0.372 84.7 7.9 -58.2 133.8 33.4 36.1 24.6 82 82 A G T 3 S+ 0 0 9 -63,-3.0 -1,-0.3 1,-0.2 -62,-0.1 0.349 93.9 145.8 76.8 -8.6 31.7 39.0 22.7 83 83 A A < - 0 0 23 -3,-2.1 -64,-2.7 -65,-0.1 2,-0.3 -0.378 55.4-114.2 -65.5 138.2 35.1 40.5 21.9 84 84 A L B >> -F 18 0B 47 -66,-0.2 3,-0.6 1,-0.1 4,-0.6 -0.569 17.1-137.2 -71.0 133.3 35.3 42.3 18.6 85 85 A W G >4 S+ 0 0 84 -68,-3.0 3,-1.8 -2,-0.3 -1,-0.1 0.935 101.3 61.8 -56.3 -48.8 37.7 40.5 16.3 86 86 A E G 34 S+ 0 0 151 -69,-0.3 -1,-0.2 1,-0.3 -68,-0.1 0.819 106.8 44.0 -45.8 -41.2 39.2 43.8 15.2 87 87 A T G <4 S+ 0 0 90 -3,-0.6 -1,-0.3 2,-0.0 -2,-0.2 0.461 82.0 123.4 -90.1 -2.5 40.4 44.7 18.7 88 88 A L S << S- 0 0 11 -3,-1.8 5,-0.0 -4,-0.6 -3,-0.0 -0.329 72.5-102.8 -60.6 138.3 41.8 41.4 19.7 89 89 A D >> - 0 0 86 1,-0.1 4,-2.2 4,-0.1 3,-0.9 -0.273 36.5-106.5 -58.3 148.9 45.5 41.5 20.8 90 90 A P H 3> S+ 0 0 105 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.853 117.7 58.5 -44.7 -46.6 47.8 40.2 18.0 91 91 A R H 3> S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 109.7 42.2 -55.8 -43.4 48.5 37.0 19.9 92 92 A Y H <> S+ 0 0 19 -3,-0.9 4,-2.3 2,-0.2 5,-0.2 0.901 114.3 51.8 -71.7 -41.2 44.9 36.0 20.0 93 93 A K H X S+ 0 0 50 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.972 114.2 42.8 -57.7 -54.8 44.3 37.1 16.4 94 94 A E H X S+ 0 0 116 -4,-3.3 4,-2.9 1,-0.2 5,-0.3 0.893 111.1 55.8 -59.3 -41.6 47.3 35.0 15.2 95 95 A A H <>S+ 0 0 6 -4,-2.1 5,-2.5 -5,-0.3 4,-0.4 0.898 113.7 40.6 -58.2 -41.8 46.3 32.0 17.4 96 96 A L H <5S+ 0 0 12 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.841 114.5 51.3 -77.2 -34.5 42.8 31.9 15.8 97 97 A L H <5S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.929 120.9 33.9 -67.9 -44.2 44.0 32.6 12.3 98 98 A R T <5S- 0 0 82 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.504 106.5-131.7 -87.5 -5.5 46.6 29.8 12.5 99 99 A F T 5 + 0 0 19 -4,-0.4 2,-0.3 -5,-0.3 -3,-0.2 0.950 66.0 108.3 53.4 56.4 44.3 27.8 14.7 100 100 A Q < + 0 0 38 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.986 64.1 9.8-160.9 150.8 47.0 27.0 17.2 101 101 A G + 0 0 28 136,-0.5 2,-0.6 -2,-0.3 -6,-0.1 0.894 69.7 163.1 46.7 55.2 48.2 27.7 20.8 102 102 A F + 0 0 1 -7,-0.1 8,-1.6 -8,-0.1 9,-0.3 -0.915 10.0 169.4-107.0 112.7 45.1 29.6 21.8 103 103 A H - 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