==== 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 29-MAR-07 2EO4 . COMPND 2 MOLECULE: 150AA LONG HYPOTHETICAL HISTIDINE TRIAD NUCLEOTID . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 149 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 14.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 7 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 C > 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 127.0 30.6 7.3 63.3 2 2 A T H > + 0 0 65 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.903 360.0 41.9 -58.4 -43.7 30.2 5.4 60.0 3 3 A F H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.904 112.9 50.5 -74.5 -39.9 31.4 8.3 57.9 4 4 A C H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 111.7 52.5 -61.7 -36.9 34.3 9.4 60.1 5 5 A S H <>S+ 0 0 27 -4,-2.4 5,-3.2 2,-0.2 6,-1.1 0.900 109.5 46.5 -64.3 -42.5 35.3 5.7 60.0 6 6 A I H ><5S+ 0 0 13 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.901 111.1 52.8 -67.5 -38.8 35.2 5.6 56.2 7 7 A I H 3<5S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.902 112.2 45.2 -61.6 -40.7 37.1 8.8 56.0 8 8 A N T 3<5S- 0 0 99 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.335 114.8-117.7 -85.7 6.9 39.8 7.4 58.3 9 9 A R T < 5S+ 0 0 142 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.833 83.2 120.1 59.8 35.6 39.8 4.1 56.3 10 10 A E S S- 0 0 15 84,-0.1 3,-2.2 83,-0.1 -1,-0.2 -0.948 102.0 -67.8-146.4 164.3 19.1 3.4 42.9 33 33 A L T 3 S+ 0 0 4 -2,-0.3 40,-0.1 1,-0.3 81,-0.0 -0.347 121.4 15.5 -58.8 122.1 22.1 2.7 40.7 34 34 A G T 3 S+ 0 0 0 1,-0.3 -1,-0.3 -2,-0.2 65,-0.1 0.460 80.5 168.1 93.8 1.1 24.8 5.2 41.5 35 35 A H < - 0 0 4 -3,-2.2 -8,-2.6 66,-0.1 2,-0.3 -0.281 15.3-178.7 -51.2 122.5 23.3 6.4 44.8 36 36 A T E -BC 26 99A 0 63,-2.2 63,-2.5 -10,-0.3 2,-0.5 -0.923 25.1-141.9-131.6 153.7 26.1 8.5 46.4 37 37 A L E -BC 25 98A 7 -12,-2.9 -12,-2.7 -2,-0.3 2,-0.5 -0.963 10.7-156.1-117.3 129.4 26.6 10.4 49.7 38 38 A V E +BC 24 97A 0 59,-2.5 59,-2.4 -2,-0.5 -14,-0.3 -0.913 23.0 176.4-105.5 128.0 28.5 13.7 49.7 39 39 A I E -B 23 0A 0 -16,-3.3 -16,-2.2 -2,-0.5 2,-0.3 -0.960 35.5-124.3-137.7 151.0 30.0 14.6 53.1 40 40 A P E -B 22 0A 2 0, 0.0 -18,-0.3 0, 0.0 4,-0.2 -0.668 29.5-133.4 -82.0 146.7 32.2 17.2 54.8 41 41 A K S S+ 0 0 48 -20,-3.4 2,-0.1 -2,-0.3 -19,-0.1 0.879 87.3 82.4 -70.6 -35.1 35.1 15.3 56.4 42 42 A K S S- 0 0 137 -21,-0.5 2,-0.5 1,-0.1 -21,-0.0 -0.463 94.0-109.3 -68.9 140.1 34.6 17.2 59.7 43 43 A H + 0 0 72 -2,-0.1 2,-0.4 51,-0.1 -1,-0.1 -0.604 44.4 164.5 -80.1 120.7 31.9 15.7 61.8 44 44 A F - 0 0 21 -2,-0.5 51,-2.9 -4,-0.2 6,-0.1 -0.995 38.5-133.1-131.7 134.5 28.6 17.7 62.2 45 45 A E S S- 0 0 91 -2,-0.4 2,-0.3 49,-0.2 -1,-0.1 0.859 79.6 -28.7 -55.8 -39.9 25.4 16.1 63.5 46 46 A N S >> S- 0 0 25 47,-0.1 3,-1.1 49,-0.1 4,-0.5 -0.921 79.0 -71.1-162.4-176.6 23.3 17.5 60.7 47 47 A Y G >4 S+ 0 0 93 -2,-0.3 3,-0.9 1,-0.2 8,-0.1 0.845 123.6 55.9 -57.1 -39.2 22.9 20.3 58.2 48 48 A L G 34 S+ 0 0 121 1,-0.2 -1,-0.2 -4,-0.0 36,-0.0 0.687 103.1 55.0 -70.6 -19.4 21.9 22.8 60.9 49 49 A E G <4 S+ 0 0 126 -3,-1.1 -1,-0.2 2,-0.1 2,-0.2 0.558 87.7 97.3 -91.3 -9.1 25.1 22.3 63.0 50 50 A A S << S- 0 0 12 -3,-0.9 2,-0.0 -4,-0.5 -6,-0.0 -0.542 77.3-115.2 -83.0 146.2 27.5 23.0 60.1 51 51 A D > - 0 0 66 -2,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.324 30.2-107.1 -73.3 162.2 29.1 26.4 59.8 52 52 A E H > S+ 0 0 168 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.841 116.7 55.0 -61.0 -37.7 28.3 28.6 56.7 53 53 A D H > S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 109.6 47.6 -65.0 -38.2 31.7 28.1 55.0 54 54 A T H > S+ 0 0 22 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.929 113.3 47.8 -66.6 -44.9 31.3 24.3 55.2 55 55 A L H X S+ 0 0 31 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.874 110.7 52.2 -63.9 -37.5 27.7 24.5 53.8 56 56 A A H X S+ 0 0 50 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.929 114.3 40.7 -65.1 -46.2 28.8 26.8 51.0 57 57 A E H X S+ 0 0 73 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.854 111.0 58.6 -70.9 -34.3 31.6 24.5 49.8 58 58 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.915 103.2 53.1 -59.8 -42.9 29.4 21.4 50.4 59 59 A A H X S+ 0 0 61 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.879 109.3 48.9 -60.5 -38.5 26.9 22.9 47.9 60 60 A K H X S+ 0 0 137 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.875 111.4 48.2 -69.8 -38.8 29.6 23.3 45.3 61 61 A V H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.911 108.5 55.2 -67.6 -41.4 30.9 19.7 45.8 62 62 A V H X S+ 0 0 11 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.910 107.4 50.4 -58.3 -41.5 27.4 18.4 45.5 63 63 A K H X S+ 0 0 145 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.964 112.7 45.2 -61.6 -51.4 27.0 20.2 42.1 64 64 A L H X S+ 0 0 28 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.943 116.4 44.3 -57.0 -51.9 30.2 18.7 40.8 65 65 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.888 112.5 52.9 -62.8 -39.1 29.6 15.2 42.0 66 66 A S H X S+ 0 0 10 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 0.929 109.5 48.2 -62.5 -45.8 25.9 15.3 40.8 67 67 A L H X S+ 0 0 69 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.926 112.9 50.3 -59.9 -42.2 27.0 16.4 37.3 68 68 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.925 112.5 44.6 -61.6 -47.3 29.6 13.5 37.4 69 69 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 6,-0.3 0.926 110.5 53.9 -64.7 -44.9 27.1 10.9 38.4 70 70 A K H <>S+ 0 0 97 -4,-2.8 5,-1.7 1,-0.2 4,-0.4 0.907 113.9 43.2 -56.7 -42.3 24.4 12.0 36.0 71 71 A D H ><5S+ 0 0 71 -4,-2.0 3,-0.6 -5,-0.2 -1,-0.2 0.941 113.7 51.0 -68.0 -48.0 26.9 11.7 33.1 72 72 A A H 3<5S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.880 122.7 28.1 -59.2 -45.8 28.3 8.4 34.3 73 73 A V T 3<5S- 0 0 0 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.314 105.1-123.2-100.9 9.1 25.0 6.5 34.7 74 74 A K T < 5 - 0 0 122 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.919 44.1-176.2 49.6 52.0 23.2 8.6 32.0 75 75 A A < - 0 0 7 -5,-1.7 28,-0.2 -6,-0.3 -1,-0.1 -0.466 30.7-151.9 -79.1 150.1 20.5 9.6 34.5 76 76 A D S S+ 0 0 87 26,-1.9 2,-0.3 1,-0.2 27,-0.2 0.662 80.1 0.7 -91.3 -20.9 17.5 11.7 33.3 77 77 A G E -D 102 0A 20 25,-1.8 25,-2.5 -7,-0.1 2,-0.3 -0.949 60.9-143.4-156.3 174.6 17.2 13.2 36.8 78 78 A L E -D 101 0A 52 -2,-0.3 2,-0.5 23,-0.3 21,-0.0 -0.993 8.2-146.5-148.3 142.6 18.6 13.3 40.3 79 79 A R E -D 100 0A 128 21,-2.1 21,-2.6 -2,-0.3 2,-0.5 -0.958 18.0-167.0-109.7 122.8 17.1 13.6 43.8 80 80 A L E +D 99 0A 91 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.941 20.4 151.6-111.2 131.9 19.2 15.6 46.3 81 81 A L E -D 98 0A 53 17,-1.6 17,-3.4 -2,-0.5 2,-0.3 -1.000 28.5-166.9-158.6 157.1 18.4 15.5 50.0 82 82 A T - 0 0 44 -2,-0.3 2,-0.4 15,-0.2 15,-0.1 -0.990 19.3-142.4-144.5 139.7 19.6 15.6 53.5 83 83 A N - 0 0 42 13,-0.4 2,-0.5 -2,-0.3 -36,-0.2 -0.861 6.0-161.7-109.9 140.3 17.7 14.7 56.6 84 84 A I + 0 0 62 -2,-0.4 -38,-0.1 -38,-0.1 3,-0.1 -0.945 63.5 1.0-121.3 107.5 17.8 16.4 60.0 85 85 A G S > >S- 0 0 25 -2,-0.5 5,-2.2 1,-0.1 3,-1.5 0.132 83.3 -88.6 97.2 148.2 16.6 14.3 62.9 86 86 A R G > 5S+ 0 0 222 1,-0.3 3,-1.7 3,-0.2 -1,-0.1 0.846 123.9 60.5 -61.1 -33.4 15.3 10.7 63.2 87 87 A S G 3 5S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.648 104.3 51.1 -70.3 -11.7 11.7 11.8 62.5 88 88 A A G < 5S- 0 0 48 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.307 130.8 -95.1-103.1 5.0 12.9 13.1 59.1 89 89 A G T < 5S+ 0 0 46 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.541 72.3 150.8 96.0 7.3 14.6 9.8 58.4 90 90 A Q < + 0 0 8 -5,-2.2 -1,-0.3 1,-0.2 3,-0.1 -0.588 6.0 155.7 -76.5 132.6 18.1 10.5 59.5 91 91 A V + 0 0 117 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.504 62.6 60.5-128.0 -21.9 20.0 7.4 60.8 92 92 A I S S- 0 0 42 2,-0.1 2,-1.5 4,-0.1 -1,-0.2 -0.952 73.0-152.5-111.8 112.9 23.6 8.4 60.3 93 93 A F + 0 0 78 -2,-0.6 2,-0.4 -3,-0.1 -47,-0.1 -0.338 66.0 94.7 -88.2 58.2 24.4 11.4 62.4 94 94 A H S S- 0 0 0 -2,-1.5 -49,-0.2 -51,-0.1 -48,-0.1 -0.945 91.3 -99.4-143.1 114.3 27.2 12.9 60.3 95 95 A L + 0 0 1 -51,-2.9 2,-0.3 -2,-0.4 -49,-0.1 -0.085 57.2 159.9 -42.4 121.8 26.0 15.5 57.8 96 96 A H - 0 0 12 -13,-0.2 2,-0.5 -57,-0.2 -13,-0.4 -0.995 33.0-140.9-149.7 145.7 25.6 14.0 54.3 97 97 A V E -C 38 0A 15 -59,-2.4 -59,-2.5 -2,-0.3 2,-0.3 -0.925 20.1-138.0-108.9 128.7 23.7 14.8 51.2 98 98 A H E -CD 37 81A 26 -17,-3.4 -17,-1.6 -2,-0.5 2,-0.5 -0.681 11.7-166.2 -85.8 137.9 22.1 12.0 49.2 99 99 A I E -CD 36 80A 0 -63,-2.5 -63,-2.2 -2,-0.3 -19,-0.2 -0.965 13.3-178.3-123.0 107.2 22.4 12.0 45.4 100 100 A I E - D 0 79A 7 -21,-2.6 -21,-2.1 -2,-0.5 -67,-0.1 -0.921 17.6-139.8-114.3 108.4 19.9 9.5 44.1 101 101 A P E - D 0 78A 2 0, 0.0 2,-0.3 0, 0.0 -23,-0.3 -0.301 19.1-170.0 -66.9 147.6 19.8 9.0 40.3 102 102 A T E - D 0 77A 49 -25,-2.5 -26,-1.9 -70,-0.1 -25,-1.8 -0.926 6.7-160.6-134.9 159.6 16.5 8.6 38.4 103 103 A W - 0 0 47 -2,-0.3 4,-0.1 -28,-0.2 -28,-0.1 -0.981 25.0-137.5-139.7 149.6 15.5 7.6 34.8 104 104 A E S S+ 0 0 178 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.762 101.8 4.3 -77.0 -22.8 12.4 8.1 32.8 105 105 A G S S- 0 0 52 1,-0.2 2,-0.3 -3,-0.0 -2,-0.2 0.290 118.1 -39.2-121.9-110.9 12.9 4.5 31.6 106 106 A D - 0 0 153 -4,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.887 61.3 -96.3-125.4 156.7 15.6 2.0 32.7 107 107 A Y - 0 0 67 -2,-0.3 -33,-0.1 1,-0.1 -32,-0.1 -0.352 61.8 -66.8 -71.8 154.4 19.2 2.5 33.6 108 108 A P > - 0 0 28 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.169 36.2-125.0 -37.8 149.4 21.9 1.8 30.9 109 109 A D T 3 S+ 0 0 146 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.836 103.9 76.3 -68.6 -34.9 22.6 -1.7 29.6 110 110 A I T 3 S+ 0 0 116 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.777 88.4 75.0 -47.3 -27.7 26.3 -1.5 30.5 111 111 A F S < S- 0 0 16 -3,-0.9 3,-0.1 1,-0.1 2,-0.0 -0.709 74.7-153.3 -91.7 139.4 25.0 -2.0 34.1 112 112 A K - 0 0 149 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 -0.068 49.2 -21.8 -94.6-162.8 23.9 -5.5 35.2 113 113 A S - 0 0 111 1,-0.1 2,-0.4 -2,-0.0 -1,-0.3 -0.054 60.5-167.7 -44.6 137.4 21.5 -6.7 37.8 114 114 A F - 0 0 27 -3,-0.1 -1,-0.1 6,-0.1 -81,-0.1 -1.000 13.6-153.3-134.3 132.2 20.7 -4.2 40.5 115 115 A K > - 0 0 113 -2,-0.4 3,-1.8 3,-0.1 -83,-0.1 -0.839 25.5-131.9-110.1 95.4 18.9 -5.0 43.8 116 116 A P T 3 S+ 0 0 64 0, 0.0 -85,-0.2 0, 0.0 -84,-0.1 -0.084 82.9 2.8 -47.1 134.5 17.3 -1.7 45.1 117 117 A R T 3 S+ 0 0 166 -87,-2.7 2,-0.2 1,-0.2 -86,-0.2 0.517 113.1 97.8 65.2 9.2 17.8 -0.8 48.8 118 118 A K S < S- 0 0 113 -3,-1.8 2,-0.2 -88,-0.4 -1,-0.2 -0.733 85.5 -86.1-121.3 170.5 20.1 -3.8 49.3 119 119 A E - 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