==== 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 2ENW . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 341 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15048.0 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 . 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 . 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 . 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 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 77 0, 0.0 159,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 122.6 33.6 7.2 9.1 2 2 A E E +A 159 0A 81 157,-0.2 126,-1.2 155,-0.1 2,-0.4 -0.540 360.0 173.0 -70.8 117.6 31.2 9.4 7.2 3 3 A L E -Ab 158 128A 1 155,-2.8 155,-2.8 -2,-0.5 2,-0.7 -0.991 23.5-152.8-131.0 133.5 30.4 12.5 9.4 4 4 A W E -Ab 157 129A 40 124,-2.6 126,-3.9 -2,-0.4 2,-0.5 -0.916 13.1-163.6-107.1 112.4 28.4 15.6 8.5 5 5 A L E -Ab 156 130A 1 151,-3.2 151,-2.3 -2,-0.7 2,-0.5 -0.846 4.8-163.0 -99.2 126.6 29.5 18.7 10.4 6 6 A V E -Ab 155 131A 0 124,-3.2 126,-2.9 -2,-0.5 2,-0.6 -0.911 13.5-142.6-112.7 129.4 27.1 21.6 10.4 7 7 A R E - b 0 132A 60 147,-3.0 146,-1.3 -2,-0.5 126,-0.2 -0.798 35.0-115.6 -87.3 124.9 28.0 25.2 11.4 8 8 A H - 0 0 13 124,-1.9 145,-1.2 -2,-0.6 146,-0.2 -0.045 38.8 -83.5 -55.5 160.4 25.0 26.6 13.2 9 9 A G - 0 0 0 45,-0.4 22,-0.2 143,-0.3 144,-0.2 -0.118 61.0 -77.2 -61.1 164.1 23.1 29.6 11.8 10 10 A E - 0 0 24 142,-0.2 18,-2.3 20,-0.1 21,-0.3 -0.265 40.4-164.1 -68.5 149.9 24.4 33.1 12.3 11 11 A T >> - 0 0 2 16,-0.2 3,-1.4 -3,-0.1 4,-0.6 -0.611 43.8 -89.9-117.4 179.4 24.0 35.1 15.5 12 12 A L H >> S+ 0 0 90 14,-0.4 4,-1.8 1,-0.3 3,-0.5 0.854 121.8 64.9 -63.2 -35.1 24.5 38.9 15.9 13 13 A W H 3>>S+ 0 0 48 1,-0.2 5,-1.9 2,-0.2 4,-0.7 0.502 88.6 68.8 -69.2 -2.8 28.2 38.5 16.7 14 14 A N H <45S+ 0 0 68 -3,-1.4 -1,-0.2 2,-0.2 3,-0.2 0.930 108.1 35.3 -78.2 -47.8 28.8 37.1 13.2 15 15 A R H <<5S+ 0 0 160 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.1 0.835 119.1 53.0 -72.0 -32.8 28.1 40.5 11.6 16 16 A E H <5S- 0 0 90 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.664 104.8-130.9 -76.8 -17.6 29.7 42.3 14.5 17 17 A G T <5 + 0 0 33 -4,-0.7 68,-2.6 -3,-0.2 69,-0.4 0.928 51.7 149.2 68.2 46.6 32.9 40.3 14.3 18 18 A R B < -F 84 0B 87 -5,-1.9 66,-0.2 66,-0.2 2,-0.2 -0.906 56.9-100.5-114.6 141.2 33.2 39.3 17.9 19 19 A L - 0 0 15 64,-3.0 63,-3.0 -2,-0.4 2,-0.6 -0.413 41.0-165.1 -59.8 121.2 34.7 36.1 19.3 20 20 A L + 0 0 26 -2,-0.2 55,-0.1 61,-0.2 -1,-0.1 -0.912 30.4 131.5-116.9 105.3 31.8 33.8 20.0 21 21 A G S S- 0 0 0 -2,-0.6 53,-0.4 57,-0.1 55,-0.2 0.561 80.4 -10.5-113.9 -97.3 32.6 30.8 22.2 22 22 A W S S+ 0 0 89 51,-0.1 2,-0.6 53,-0.1 54,-0.1 0.445 94.6 118.5 -90.2 0.1 30.6 29.7 25.2 23 23 A T - 0 0 45 1,-0.1 2,-2.2 29,-0.1 59,-0.1 -0.577 69.5-133.7 -67.3 115.7 28.5 33.0 25.3 24 24 A D + 0 0 82 -2,-0.6 -1,-0.1 29,-0.1 -2,-0.1 -0.356 38.2 169.4 -76.5 64.8 25.1 31.5 24.7 25 25 A L - 0 0 34 -2,-2.2 29,-0.7 1,-0.1 2,-0.1 -0.407 29.1-124.3 -76.4 152.0 23.7 33.8 22.0 26 26 A P - 0 0 75 0, 0.0 -14,-0.4 0, 0.0 2,-0.1 -0.452 32.1 -93.4 -89.0 165.8 20.5 33.0 20.1 27 27 A L - 0 0 19 -16,-0.1 -16,-0.2 -2,-0.1 2,-0.2 -0.415 37.0-122.6 -75.5 156.0 20.2 32.7 16.3 28 28 A T > - 0 0 17 -18,-2.3 4,-2.3 -2,-0.1 5,-0.2 -0.474 34.5 -97.5 -89.7 169.1 19.1 35.8 14.3 29 29 A A H > S+ 0 0 82 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.924 130.8 45.9 -52.5 -46.5 16.0 35.6 12.1 30 30 A E H > S+ 0 0 81 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.832 107.7 58.3 -65.7 -32.7 18.3 34.9 9.1 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.889 106.9 47.0 -64.1 -38.5 20.1 32.4 11.2 32 32 A E H X S+ 0 0 53 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.867 110.3 53.5 -70.3 -35.2 16.9 30.5 11.7 33 33 A A H X S+ 0 0 23 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.927 106.8 51.4 -64.0 -44.0 16.2 30.8 8.0 34 34 A Q H X S+ 0 0 28 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.890 110.3 50.6 -59.6 -38.5 19.6 29.2 7.3 35 35 A A H >X S+ 0 0 0 -4,-1.6 3,-0.7 1,-0.2 4,-0.7 0.917 107.9 51.2 -66.1 -44.4 18.7 26.4 9.6 36 36 A R H >< S+ 0 0 122 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.876 104.4 57.9 -61.8 -37.8 15.4 25.8 8.0 37 37 A R H 3< S+ 0 0 91 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.785 97.3 63.4 -63.5 -26.3 17.1 25.6 4.6 38 38 A L H XX S+ 0 0 0 -4,-0.9 3,-2.1 -3,-0.7 4,-1.0 0.768 79.2 99.1 -69.8 -25.3 19.2 22.7 5.9 39 39 A K T << S+ 0 0 138 -3,-1.1 24,-0.1 -4,-0.7 23,-0.1 -0.450 94.3 15.7 -65.6 127.6 16.2 20.6 6.4 40 40 A G T 34 S+ 0 0 82 22,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.230 116.3 75.4 93.3 -16.3 16.0 18.2 3.5 41 41 A A T <4 S+ 0 0 36 -3,-2.1 -2,-0.2 -4,-0.1 -3,-0.1 0.521 83.7 72.6-102.4 -11.5 19.6 18.9 2.5 42 42 A L S < S- 0 0 18 -4,-1.0 -2,-0.3 20,-0.2 87,-0.0 -0.809 90.8-102.7-105.6 147.0 21.2 16.9 5.3 43 43 A P - 0 0 33 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.292 33.6-109.1 -66.3 151.7 21.2 13.0 5.4 44 44 A S S S+ 0 0 125 -4,-0.1 3,-0.0 84,-0.0 20,-0.0 -0.640 70.3 133.1 -82.9 86.9 18.8 11.2 7.6 45 45 A L - 0 0 46 -2,-1.6 83,-0.1 1,-0.1 84,-0.1 -0.873 67.2 -72.3-132.5 164.3 21.3 10.0 10.2 46 46 A P - 0 0 82 0, 0.0 83,-2.4 0, 0.0 2,-0.4 -0.271 58.5-139.0 -54.1 146.2 21.6 9.9 14.0 47 47 A A E -c 129 0A 13 18,-0.3 20,-1.9 81,-0.2 2,-0.3 -0.915 23.4-177.4-121.3 143.8 22.3 13.4 15.2 48 48 A F E -cd 130 67A 40 81,-2.5 83,-2.9 -2,-0.4 2,-0.3 -0.937 12.9-173.0-129.5 150.7 24.5 14.9 17.8 49 49 A S E -cd 131 68A 0 18,-2.3 20,-2.7 -2,-0.3 23,-0.2 -0.998 32.3-104.2-151.2 152.9 24.7 18.6 18.8 50 50 A S - 0 0 0 81,-2.1 6,-0.1 -2,-0.3 21,-0.0 -0.422 37.5-128.3 -63.8 148.1 26.6 21.1 20.9 51 51 A D S S+ 0 0 39 18,-0.3 -1,-0.1 4,-0.1 2,-0.1 0.543 75.0 111.3 -81.9 -4.8 24.4 22.0 23.9 52 52 A L S >> S- 0 0 6 1,-0.1 4,-2.3 18,-0.1 3,-1.1 -0.435 80.0-115.0 -70.1 142.6 24.6 25.7 23.3 53 53 A L H 3> S+ 0 0 54 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.853 110.9 54.3 -43.6 -55.0 21.4 27.4 22.1 54 54 A R H 3> S+ 0 0 0 -29,-0.7 4,-1.0 1,-0.2 -45,-0.4 0.827 113.9 43.2 -55.8 -32.8 22.4 28.4 18.6 55 55 A A H <> S+ 0 0 0 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.947 114.5 47.5 -78.4 -49.6 23.5 24.8 17.8 56 56 A R H X S+ 0 0 94 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.917 113.3 49.7 -55.4 -46.4 20.4 23.1 19.4 57 57 A R H X S+ 0 0 71 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.838 108.9 52.0 -63.5 -34.9 18.1 25.5 17.6 58 58 A T H X S+ 0 0 0 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.939 110.0 49.3 -66.5 -45.0 19.8 24.9 14.3 59 59 A A H <>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 -2,-0.2 0.882 111.9 49.2 -59.7 -41.3 19.4 21.1 14.7 60 60 A E H ><5S+ 0 0 115 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.953 112.2 44.8 -64.8 -52.7 15.7 21.6 15.6 61 61 A L H 3<5S+ 0 0 26 -4,-2.4 -22,-0.3 1,-0.3 -1,-0.2 0.725 108.5 59.8 -64.7 -22.2 14.9 23.8 12.6 62 62 A A T 3<5S- 0 0 2 -4,-1.5 -22,-0.4 -5,-0.2 -1,-0.3 0.491 124.4-106.3 -82.6 -5.8 16.9 21.4 10.4 63 63 A G T < 5S+ 0 0 44 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.666 77.1 124.2 91.4 19.4 14.5 18.7 11.5 64 64 A F < - 0 0 34 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.717 51.2-152.9-112.1 162.6 16.7 16.7 13.9 65 65 A S - 0 0 124 -2,-0.2 -18,-0.3 2,-0.0 -5,-0.1 -0.746 35.4-171.5-130.6 77.5 16.4 15.6 17.6 66 66 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -18,-0.3 -0.199 27.9-114.9 -73.0 160.2 20.1 15.4 18.5 67 67 A R E -d 48 0A 164 -20,-1.9 -18,-2.3 2,-0.0 2,-0.3 -0.832 41.2-120.6 -92.8 133.0 21.8 14.0 21.6 68 68 A L E +d 49 0A 82 -2,-0.5 -18,-0.2 -20,-0.2 -17,-0.1 -0.620 34.7 173.9 -84.5 133.9 23.5 16.9 23.4 69 69 A Y > - 0 0 51 -20,-2.7 3,-1.8 -2,-0.3 -18,-0.3 -0.971 27.7-155.1-140.4 119.8 27.2 16.9 24.0 70 70 A P G > S+ 0 0 66 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.754 92.5 76.6 -63.1 -23.3 29.3 19.8 25.5 71 71 A E G 3 S+ 0 0 73 1,-0.3 49,-0.1 -22,-0.1 -21,-0.1 0.710 88.5 57.8 -61.1 -19.7 32.3 18.2 23.7 72 72 A L G < S+ 0 0 0 -3,-1.8 61,-0.4 -23,-0.2 -22,-0.3 0.345 83.7 119.7 -92.2 5.1 30.9 19.7 20.4 73 73 A R S < S- 0 0 51 -3,-2.2 3,-0.1 -24,-0.1 -51,-0.1 -0.321 73.9 -99.6 -69.4 154.6 30.9 23.2 21.8 74 74 A E - 0 0 19 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.131 60.0 -74.4 -61.4 168.5 33.0 26.0 20.2 75 75 A I - 0 0 7 -55,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.408 49.9-111.2 -68.6 146.5 36.3 26.7 21.9 76 76 A H - 0 0 48 -55,-0.2 32,-2.8 1,-0.2 -1,-0.1 -0.719 27.7-168.4 -82.4 109.3 36.0 28.5 25.3 77 77 A F > - 0 0 16 -2,-0.8 3,-2.5 1,-0.2 30,-0.2 0.520 18.1-169.3 -75.5 -5.3 37.5 32.0 24.6 78 78 A G G > S+ 0 0 12 1,-0.3 3,-2.2 28,-0.3 28,-0.2 -0.252 71.4 3.2 54.2-129.1 37.5 32.8 28.3 79 79 A A G 3 S+ 0 0 80 26,-3.3 -1,-0.3 1,-0.3 27,-0.1 0.645 130.6 64.7 -63.1 -13.0 38.2 36.4 29.0 80 80 A L G X S+ 0 0 25 -3,-2.5 3,-2.2 25,-0.4 -1,-0.3 0.465 70.4 125.5 -89.8 -2.1 38.3 36.9 25.2 81 81 A E T < S+ 0 0 40 -3,-2.2 -61,-0.2 1,-0.3 3,-0.1 -0.355 82.3 11.7 -56.4 131.5 34.6 36.1 24.9 82 82 A G T 3 S+ 0 0 11 -63,-3.0 -1,-0.3 1,-0.3 -62,-0.1 0.353 91.9 145.6 82.1 -7.8 32.9 38.9 23.0 83 83 A A < - 0 0 28 -3,-2.2 -64,-3.0 -64,-0.2 2,-0.3 -0.380 56.6-111.3 -66.4 138.8 36.2 40.6 22.0 84 84 A L B -F 18 0B 45 -66,-0.2 3,-0.4 1,-0.2 4,-0.3 -0.558 16.4-142.0 -69.7 130.2 36.2 42.3 18.6 85 85 A W S > S+ 0 0 91 -68,-2.6 3,-2.1 -2,-0.3 -1,-0.2 0.942 100.0 62.7 -56.4 -46.1 38.5 40.3 16.3 86 86 A E T 3 S+ 0 0 146 -69,-0.4 -1,-0.2 1,-0.3 -68,-0.1 0.845 110.1 35.8 -45.2 -48.2 39.6 43.7 14.9 87 87 A T T 3 S+ 0 0 97 -3,-0.4 -1,-0.3 2,-0.1 -2,-0.2 0.250 87.1 131.1 -96.3 12.9 41.1 44.8 18.2 88 88 A L S < S- 0 0 8 -3,-2.1 5,-0.1 -4,-0.3 -3,-0.1 -0.394 71.8 -94.8 -66.8 140.3 42.4 41.4 19.3 89 89 A D >> - 0 0 74 1,-0.1 4,-2.6 -2,-0.1 3,-1.2 -0.332 33.3-120.5 -57.2 131.7 46.0 41.4 20.4 90 90 A P H 3> S+ 0 0 98 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.808 113.0 56.6 -42.2 -40.7 48.3 40.4 17.5 91 91 A R H 3> S+ 0 0 159 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.904 111.5 41.7 -62.8 -41.5 49.6 37.4 19.5 92 92 A H H <> S+ 0 0 18 -3,-1.2 4,-2.2 2,-0.2 5,-0.2 0.907 114.1 53.4 -71.2 -41.2 46.1 36.1 19.9 93 93 A K H X S+ 0 0 49 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.931 112.9 42.7 -57.5 -49.1 45.2 37.0 16.3 94 94 A E H X S+ 0 0 119 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.901 111.0 54.7 -65.9 -42.3 48.2 35.1 14.9 95 95 A A H X>S+ 0 0 11 -4,-2.0 5,-2.5 -5,-0.3 4,-0.6 0.896 114.0 42.7 -58.7 -40.0 47.7 32.1 17.2 96 96 A L H <5S+ 0 0 16 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.893 114.8 49.2 -73.8 -41.2 44.1 31.8 15.9 97 97 A L H <5S+ 0 0 99 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.957 119.9 36.3 -62.9 -50.8 45.0 32.4 12.3 98 98 A R H <5S- 0 0 92 -4,-3.2 -1,-0.2 2,-0.2 -2,-0.2 0.618 108.8-131.9 -77.4 -11.3 47.8 29.8 12.4 99 99 A F T <5 + 0 0 20 -4,-0.6 2,-0.3 -5,-0.3 -3,-0.2 0.976 67.2 94.9 59.1 61.5 45.7 27.7 14.7 100 100 A Q < + 0 0 33 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.2 -0.932 67.8 24.0-174.2 150.2 48.3 27.0 17.3 101 101 A G S S+ 0 0 50 136,-0.5 2,-0.6 -2,-0.3 -6,-0.1 0.850 75.1 152.9 57.7 34.8 49.7 28.2 20.6 102 102 A F + 0 0 3 -7,-0.2 8,-2.3 -8,-0.1 9,-0.4 -0.862 10.9 161.6 -98.5 125.0 46.4 29.8 21.5 103 103 A H - 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