==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-06 2HIA . COMPND 2 MOLECULE: ALPHA-RIBAZOLE-5'-PHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 169 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8179.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 10.1 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 . 1 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 . 14 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.4 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 1 0 0 0 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 59 0, 0.0 159,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.7 18.2 15.1 24.3 2 2 A E E +A 159 0A 77 157,-0.2 126,-1.2 155,-0.1 2,-0.4 -0.392 360.0 174.2 -59.1 111.2 18.8 11.7 22.7 3 3 A L E -Ab 158 128A 2 155,-2.6 155,-2.4 -2,-0.4 2,-0.6 -0.985 20.2-151.2-117.8 134.0 20.3 9.5 25.4 4 4 A W E -Ab 157 129A 27 124,-2.7 126,-3.8 -2,-0.4 2,-0.6 -0.895 8.5-160.8-103.2 125.5 20.9 5.8 24.9 5 5 A L E -Ab 156 130A 2 151,-3.4 151,-2.7 -2,-0.6 2,-0.5 -0.927 9.4-170.7-107.0 116.5 20.7 3.7 28.1 6 6 A V E -Ab 155 131A 0 124,-3.1 126,-3.1 -2,-0.6 2,-0.4 -0.917 13.7-143.7-112.6 124.4 22.4 0.3 27.7 7 7 A R E - b 0 132A 42 147,-2.5 146,-1.2 -2,-0.5 126,-0.2 -0.693 33.2-103.4 -84.3 136.7 22.1 -2.4 30.3 8 8 A H - 0 0 4 124,-1.7 145,-1.0 -2,-0.4 146,-0.2 -0.077 43.7 -93.8 -54.5 155.7 25.2 -4.5 30.9 9 9 A G - 0 0 0 45,-0.6 22,-0.2 143,-0.3 144,-0.1 -0.262 61.6 -61.6 -68.5 162.3 25.4 -8.0 29.4 10 10 A E - 0 0 21 142,-0.2 18,-2.4 20,-0.2 21,-0.3 -0.021 49.6-173.4 -46.4 137.6 24.4 -11.0 31.4 11 11 A T B > -F 27 0B 0 16,-0.3 4,-1.0 -3,-0.1 3,-0.2 -0.713 41.7 -99.8-118.5 175.7 26.1 -12.1 34.6 12 12 A L H >> S+ 0 0 90 14,-0.5 4,-1.9 -2,-0.2 3,-1.2 0.962 121.8 52.9 -63.3 -49.6 25.6 -15.2 36.5 13 13 A W H 34>S+ 0 0 50 1,-0.3 5,-2.7 2,-0.2 -1,-0.2 0.759 101.2 61.9 -54.9 -28.8 23.4 -13.6 39.1 14 14 A N H 345S+ 0 0 38 1,-0.2 3,-0.3 3,-0.2 -1,-0.3 0.828 108.0 43.7 -67.2 -30.6 21.2 -12.2 36.3 15 15 A R H <<5S+ 0 0 170 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.888 113.8 49.9 -73.0 -42.7 20.4 -15.7 35.3 16 16 A E T <5S- 0 0 110 -4,-1.9 69,-0.2 -5,-0.1 -1,-0.2 0.253 111.2-119.1 -83.2 8.3 19.9 -16.9 38.9 17 17 A G T 5 + 0 0 42 -3,-0.3 68,-1.7 1,-0.2 2,-0.4 0.946 59.7 153.7 53.2 48.7 17.5 -14.0 39.7 18 18 A R B < -G 84 0C 95 -5,-2.7 2,-0.3 66,-0.2 66,-0.2 -0.889 54.1-102.9-107.1 142.3 19.8 -12.6 42.4 19 19 A L - 0 0 19 64,-2.2 63,-2.8 -2,-0.4 2,-0.5 -0.447 41.9-170.5 -60.5 124.0 19.9 -9.0 43.5 20 20 A L + 0 0 11 -2,-0.3 55,-0.1 61,-0.2 61,-0.1 -0.949 26.3 131.6-125.9 113.9 23.0 -7.5 41.9 21 21 A G S S- 0 0 0 -2,-0.5 53,-0.4 53,-0.1 55,-0.2 0.475 79.4 -7.3-120.8 -97.3 24.1 -4.0 42.9 22 22 A W S S+ 0 0 87 51,-0.1 2,-0.2 53,-0.1 54,-0.1 0.505 96.0 115.1 -91.3 -6.4 27.6 -3.0 43.9 23 23 A T S S- 0 0 40 1,-0.1 2,-1.4 29,-0.1 59,-0.1 -0.495 71.1-132.4 -58.8 130.3 28.9 -6.6 43.8 24 24 A D + 0 0 82 -2,-0.2 -1,-0.1 29,-0.1 -2,-0.1 -0.390 37.9 170.4 -94.6 62.5 31.4 -6.5 41.0 25 25 A L - 0 0 33 -2,-1.4 29,-0.5 1,-0.1 2,-0.1 -0.375 27.5-128.0 -68.9 146.9 30.4 -9.6 39.0 26 26 A P - 0 0 74 0, 0.0 -14,-0.5 0, 0.0 2,-0.1 -0.459 30.5 -91.6 -89.4 167.1 31.9 -10.2 35.6 27 27 A L B -F 11 0B 16 -16,-0.1 -16,-0.3 -2,-0.1 2,-0.1 -0.434 38.0-126.2 -73.9 152.7 30.0 -10.9 32.4 28 28 A T > - 0 0 32 -18,-2.4 4,-2.0 -2,-0.1 5,-0.2 -0.393 36.4 -94.6 -86.8 176.0 29.3 -14.6 31.5 29 29 A A H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.915 130.9 47.6 -59.8 -41.3 30.4 -15.8 28.1 30 30 A E H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 107.2 57.5 -67.8 -32.4 26.9 -15.1 26.8 31 31 A G H > S+ 0 0 0 -21,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.878 107.0 47.7 -64.2 -37.5 27.0 -11.7 28.4 32 32 A E H X S+ 0 0 60 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.885 110.0 53.0 -69.2 -38.1 30.1 -10.9 26.4 33 33 A A H X S+ 0 0 31 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.896 108.5 50.0 -63.1 -40.5 28.4 -12.2 23.3 34 34 A Q H X S+ 0 0 36 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.923 110.4 50.2 -63.4 -44.1 25.4 -9.9 24.0 35 35 A A H >X S+ 0 0 0 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.866 109.1 51.1 -62.6 -38.7 27.8 -6.9 24.4 36 36 A R H >< S+ 0 0 145 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.844 102.2 60.9 -69.2 -30.3 29.6 -7.7 21.1 37 37 A R H 3< S+ 0 0 152 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.742 96.8 61.8 -68.6 -18.4 26.2 -7.8 19.3 38 38 A L H XX S+ 0 0 10 -4,-0.7 3,-1.7 -3,-0.6 4,-1.2 0.732 77.5 108.2 -78.3 -21.4 25.7 -4.2 20.3 39 39 A K T << S+ 0 0 140 -3,-1.0 24,-0.2 -4,-0.5 23,-0.1 -0.381 94.0 4.3 -61.9 124.4 28.8 -3.1 18.4 40 40 A G T 34 S+ 0 0 74 22,-0.5 -1,-0.3 2,-0.3 -2,-0.1 0.199 116.0 83.7 87.7 -17.1 27.7 -1.2 15.3 41 41 A A T <4 S+ 0 0 58 -3,-1.7 -2,-0.2 -4,-0.1 -3,-0.1 0.683 83.3 62.7 -89.6 -22.3 24.1 -1.4 16.3 42 42 A L S < S- 0 0 5 -4,-1.2 -2,-0.3 20,-0.2 2,-0.1 -0.794 98.5-100.3-103.1 146.9 24.3 1.6 18.6 43 43 A P - 0 0 43 0, 0.0 2,-2.1 0, 0.0 -2,-0.1 -0.400 34.6-117.6 -64.9 142.4 25.1 5.1 17.4 44 44 A S + 0 0 117 -4,-0.1 3,-0.1 -2,-0.1 19,-0.0 -0.360 59.9 149.2 -81.4 61.8 28.7 6.0 18.0 45 45 A L - 0 0 44 -2,-2.1 83,-0.2 1,-0.2 84,-0.1 -0.354 62.4 -70.7 -85.4 169.7 28.0 8.9 20.3 46 46 A P - 0 0 85 0, 0.0 83,-2.4 0, 0.0 2,-0.3 -0.377 62.5-137.9 -60.0 143.6 30.3 9.9 23.2 47 47 A A E -c 129 0A 10 18,-0.3 20,-2.1 81,-0.2 2,-0.3 -0.843 24.4-176.4-117.3 149.4 30.0 7.3 25.9 48 48 A F E -cd 130 67A 21 81,-2.3 83,-3.2 -2,-0.3 2,-0.3 -0.952 12.6-170.6-133.2 149.2 29.8 7.2 29.6 49 49 A S E -cd 131 68A 0 18,-2.6 20,-2.7 -2,-0.3 23,-0.2 -0.996 30.1-108.8-147.6 150.7 29.8 4.1 31.9 50 50 A S - 0 0 0 81,-2.3 6,-0.1 -2,-0.3 81,-0.0 -0.379 38.1-124.0 -65.3 155.1 29.2 3.0 35.4 51 51 A D S S+ 0 0 43 18,-0.3 2,-0.2 4,-0.1 -1,-0.1 0.451 76.0 114.9 -90.4 1.2 32.6 2.0 36.8 52 52 A L S >> S- 0 0 10 1,-0.1 4,-2.3 4,-0.0 3,-1.1 -0.475 77.8-116.8 -67.5 142.0 31.3 -1.5 37.7 53 53 A L H 3> S+ 0 0 51 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.855 109.5 53.2 -50.2 -47.1 33.1 -4.3 35.8 54 54 A R H 3> S+ 0 0 1 -29,-0.5 4,-1.0 1,-0.2 -45,-0.6 0.808 113.1 44.6 -65.4 -28.6 30.0 -5.6 33.9 55 55 A A H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.936 114.5 47.7 -75.9 -48.2 29.1 -2.1 32.6 56 56 A R H X S+ 0 0 91 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 113.2 48.6 -55.2 -47.8 32.7 -1.2 31.6 57 57 A R H X S+ 0 0 70 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.852 109.0 52.9 -64.6 -36.1 33.2 -4.6 29.9 58 58 A T H X S+ 0 0 0 -4,-1.0 4,-1.6 -5,-0.3 -1,-0.2 0.929 109.4 49.5 -65.8 -42.5 29.9 -4.2 28.0 59 59 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.929 112.0 48.4 -60.6 -46.4 31.0 -0.8 26.7 60 60 A E H ><5S+ 0 0 116 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.942 112.9 45.6 -59.7 -51.3 34.4 -2.1 25.6 61 61 A L H 3<5S+ 0 0 7 -4,-2.5 -22,-0.3 1,-0.3 -1,-0.2 0.756 108.0 59.3 -65.9 -23.2 33.0 -5.1 23.7 62 62 A A T 3<5S- 0 0 2 -4,-1.6 -22,-0.5 -5,-0.2 -1,-0.3 0.448 124.5-104.3 -83.6 -1.0 30.3 -2.8 22.2 63 63 A G T < 5S+ 0 0 46 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.623 77.9 126.8 90.3 15.7 33.2 -0.8 20.7 64 64 A F < - 0 0 20 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.685 50.9-152.3-107.9 159.6 33.1 2.2 23.0 65 65 A S - 0 0 120 -2,-0.2 -18,-0.3 2,-0.0 2,-0.1 -0.777 34.5-171.2-125.6 78.5 35.7 4.1 25.2 66 66 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 -18,-0.3 -0.297 26.0-119.5 -80.6 152.5 33.5 5.5 27.9 67 67 A R E -d 48 0A 143 -20,-2.1 -18,-2.6 -2,-0.1 2,-0.4 -0.761 38.2-120.3 -82.7 137.6 34.3 7.9 30.7 68 68 A L E +d 49 0A 89 -2,-0.4 -18,-0.2 -20,-0.2 -17,-0.1 -0.653 34.4 174.1 -90.1 132.4 33.7 6.3 34.1 69 69 A Y > - 0 0 67 -20,-2.7 3,-1.8 -2,-0.4 -18,-0.3 -0.970 28.3-152.0-139.2 122.8 31.2 7.8 36.5 70 70 A P G > S+ 0 0 65 0, 0.0 3,-0.8 0, 0.0 -20,-0.1 0.567 92.7 74.7 -66.9 -8.5 30.1 6.2 39.9 71 71 A E G 3 S+ 0 0 74 1,-0.2 49,-0.2 45,-0.1 -21,-0.1 0.647 87.7 60.1 -77.8 -13.9 26.8 8.0 39.5 72 72 A L G < S+ 0 0 1 -3,-1.8 61,-0.4 -23,-0.2 -22,-0.3 0.417 80.5 122.5 -91.9 1.0 25.8 5.4 36.8 73 73 A R S < S- 0 0 58 -3,-0.8 60,-0.1 -24,-0.1 3,-0.1 -0.196 70.7-104.8 -60.2 151.3 26.1 2.5 39.2 74 74 A E - 0 0 17 -53,-0.4 -1,-0.1 1,-0.2 -53,-0.1 -0.288 57.6 -73.7 -63.3 163.3 23.2 0.2 40.0 75 75 A I - 0 0 5 -55,-0.1 2,-0.6 1,-0.1 -1,-0.2 -0.309 50.3-114.0 -60.2 145.8 21.6 0.8 43.3 76 76 A H - 0 0 47 -55,-0.2 32,-2.5 1,-0.1 -1,-0.1 -0.745 25.9-168.2 -83.5 121.2 23.6 -0.5 46.3 77 77 A F > - 0 0 12 -2,-0.6 3,-2.6 1,-0.2 30,-0.3 0.516 16.0-170.8 -88.2 -4.5 21.7 -3.4 47.9 78 78 A G G > S+ 0 0 15 28,-0.3 3,-2.0 1,-0.3 28,-0.3 -0.261 73.3 5.5 54.3-125.9 23.9 -3.5 51.0 79 79 A A G 3 S+ 0 0 82 26,-3.2 -1,-0.3 1,-0.3 27,-0.1 0.637 131.4 62.3 -64.1 -12.9 23.2 -6.6 53.1 80 80 A L G X + 0 0 24 -3,-2.6 3,-2.5 25,-0.4 -1,-0.3 0.368 70.0 129.4 -94.8 4.1 20.8 -7.7 50.3 81 81 A E T < S+ 0 0 36 -3,-2.0 -61,-0.2 1,-0.3 3,-0.1 -0.403 85.0 7.8 -58.7 131.3 23.6 -8.0 47.7 82 82 A G T 3 S+ 0 0 6 -63,-2.8 -1,-0.3 1,-0.2 -62,-0.1 0.562 93.1 160.5 72.3 8.0 23.2 -11.4 46.1 83 83 A A < - 0 0 22 -3,-2.5 -64,-2.2 -64,-0.2 2,-0.4 -0.388 47.0-112.7 -65.4 137.0 19.9 -12.0 48.0 84 84 A L B -G 18 0C 53 -66,-0.2 4,-0.5 1,-0.2 3,-0.3 -0.575 16.6-144.6 -72.2 124.0 17.8 -14.7 46.5 85 85 A W S > S+ 0 0 78 -68,-1.7 3,-0.9 -2,-0.4 -1,-0.2 0.864 97.1 61.7 -57.4 -35.8 14.6 -13.0 45.0 86 86 A E T 3 S+ 0 0 140 -69,-0.3 -1,-0.2 1,-0.2 -68,-0.0 0.916 112.2 32.8 -57.2 -49.6 12.7 -16.1 46.1 87 87 A T T 3 S+ 0 0 98 -3,-0.3 -1,-0.2 2,-0.0 2,-0.2 0.256 87.3 132.0 -94.4 12.3 13.4 -15.8 49.8 88 88 A L S < S- 0 0 11 -3,-0.9 5,-0.1 -4,-0.5 -3,-0.0 -0.454 71.2 -99.7 -65.5 128.4 13.4 -12.0 49.8 89 89 A D >> - 0 0 74 -2,-0.2 4,-2.4 1,-0.1 3,-1.2 -0.173 30.4-119.0 -48.9 138.8 11.3 -10.7 52.6 90 90 A P H 3> S+ 0 0 98 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.861 111.1 62.3 -50.7 -38.4 7.9 -9.6 51.3 91 91 A R H 3> S+ 0 0 170 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.858 112.0 36.9 -60.6 -32.1 8.5 -6.0 52.4 92 92 A Y H <> S+ 0 0 60 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.862 114.6 54.9 -85.3 -40.0 11.5 -5.7 50.1 93 93 A K H X S+ 0 0 68 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 111.7 44.9 -58.0 -46.5 9.9 -7.8 47.3 94 94 A E H X S+ 0 0 116 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.911 111.8 51.5 -64.8 -44.8 6.9 -5.5 47.2 95 95 A A H X>S+ 0 0 8 -4,-1.1 5,-2.1 -5,-0.3 4,-0.7 0.861 112.5 46.4 -61.9 -38.0 8.9 -2.3 47.3 96 96 A L H <5S+ 0 0 20 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.935 110.8 49.7 -71.2 -47.6 11.1 -3.4 44.4 97 97 A L H <5S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.863 120.0 38.9 -58.7 -36.9 8.3 -4.6 42.2 98 98 A R H <5S- 0 0 123 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.587 104.1-137.4 -84.4 -18.9 6.5 -1.2 42.8 99 99 A F T <5 + 0 0 15 -4,-0.7 2,-0.3 -5,-0.2 -3,-0.2 0.925 67.2 98.3 57.8 43.9 9.9 0.6 42.6 100 100 A Q < + 0 0 92 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.2 -0.985 69.6 19.8-157.5 150.7 9.0 2.8 45.6 101 101 A G S S+ 0 0 79 -2,-0.3 2,-0.5 1,-0.2 -6,-0.1 0.924 82.4 144.7 58.4 45.7 9.7 3.0 49.4 102 102 A F + 0 0 5 -7,-0.2 8,-2.8 -6,-0.1 9,-0.3 -0.967 17.7 157.1-122.3 126.8 12.7 0.7 49.1 103 103 A H - 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