==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-08 2ZTI . COMPND 2 MOLECULE: NTPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 16.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 16 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 0 2 1 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 0 0 0 0 1 0 1 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 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 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 92 0, 0.0 25,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 160.3 -1.8 57.0 40.3 2 2 A K E -a 26 0A 99 23,-0.2 2,-0.4 57,-0.1 25,-0.2 -0.842 360.0-178.5-101.8 126.0 -4.6 54.7 41.5 3 3 A I E -a 27 0A 0 23,-3.2 25,-2.0 -2,-0.5 2,-0.6 -0.986 20.6-139.2-123.2 129.0 -6.1 52.1 39.2 4 4 A F E -ab 28 61A 36 56,-2.5 58,-2.4 -2,-0.4 2,-0.8 -0.781 13.0-153.6 -89.0 123.7 -8.9 49.8 40.2 5 5 A F E -ab 29 62A 0 23,-2.0 25,-2.0 -2,-0.6 2,-1.0 -0.871 5.5-151.9-101.8 106.6 -8.4 46.2 39.0 6 6 A I E +a 30 0A 0 56,-2.4 58,-0.4 -2,-0.8 2,-0.3 -0.672 48.1 111.4 -81.9 102.7 -11.8 44.5 38.6 7 7 A T - 0 0 13 -2,-1.0 23,-0.1 23,-0.6 -2,-0.1 -0.991 58.5-147.4-164.3 159.7 -11.1 40.8 39.1 8 8 A S + 0 0 84 -2,-0.3 23,-0.1 23,-0.1 -2,-0.0 0.211 69.9 106.1-115.5 13.4 -11.6 37.9 41.4 9 9 A N > - 0 0 39 1,-0.2 4,-1.9 2,-0.0 5,-0.2 -0.805 50.4-166.1-100.8 105.7 -8.2 36.2 40.6 10 10 A P H > S+ 0 0 87 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.876 88.3 55.4 -55.2 -39.8 -5.7 36.5 43.5 11 11 A G H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.957 106.2 47.7 -58.9 -55.3 -2.9 35.4 41.2 12 12 A K H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.863 110.5 54.4 -54.9 -39.0 -3.4 38.0 38.5 13 13 A V H X S+ 0 0 21 -4,-1.9 4,-2.7 2,-0.2 5,-0.4 0.885 107.4 49.9 -64.7 -39.1 -3.6 40.7 41.2 14 14 A R H X S+ 0 0 112 -4,-1.8 4,-2.1 -3,-0.3 5,-0.2 0.946 113.2 44.4 -65.2 -49.8 -0.3 39.7 42.7 15 15 A E H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.872 119.2 43.8 -63.1 -37.5 1.6 39.8 39.4 16 16 A V H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 5,-0.4 0.947 114.1 45.2 -75.1 -51.7 -0.1 43.1 38.4 17 17 A A H X S+ 0 0 35 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.941 115.6 50.8 -58.0 -45.5 0.2 45.1 41.6 18 18 A N H X S+ 0 0 53 -4,-2.1 4,-1.4 -5,-0.4 -1,-0.2 0.943 113.5 42.5 -56.5 -53.9 3.8 43.9 41.9 19 19 A F H < S+ 0 0 24 -4,-1.9 3,-0.4 -5,-0.2 4,-0.4 0.961 121.4 39.1 -60.2 -54.3 4.8 44.9 38.4 20 20 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 3,-0.8 0.718 106.2 67.0 -70.3 -22.3 3.0 48.2 38.3 21 21 A G H ><5S+ 0 0 37 -4,-2.2 3,-2.9 -5,-0.4 -1,-0.2 0.906 88.7 67.1 -63.5 -39.8 4.0 48.9 41.9 22 22 A T T 3<5S+ 0 0 104 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.782 102.7 46.7 -48.4 -32.3 7.6 49.1 40.8 23 23 A F T < 5S- 0 0 91 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.150 124.9 -99.4-101.6 18.7 6.6 52.3 38.9 24 24 A G T < 5S+ 0 0 61 -3,-2.9 2,-0.5 1,-0.2 -3,-0.2 0.790 75.6 141.4 71.9 28.6 4.7 53.9 41.7 25 25 A I < - 0 0 18 -5,-1.8 2,-0.6 -8,-0.2 -1,-0.2 -0.906 45.8-136.7-107.1 129.8 1.2 52.9 40.5 26 26 A E E -a 2 0A 109 -25,-2.7 -23,-3.2 -2,-0.5 2,-0.6 -0.742 16.5-166.8 -89.3 118.4 -1.4 51.9 43.0 27 27 A I E -a 3 0A 25 -2,-0.6 2,-0.5 -25,-0.2 -23,-0.2 -0.913 4.5-175.3-106.2 121.7 -3.5 48.9 42.2 28 28 A V E -a 4 0A 51 -25,-2.0 -23,-2.0 -2,-0.6 2,-0.1 -0.968 19.4-137.5-117.7 117.2 -6.6 48.2 44.3 29 29 A Q E -a 5 0A 62 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.431 19.6-174.9 -72.2 148.1 -8.5 45.0 43.6 30 30 A L E -a 6 0A 51 -25,-2.0 2,-1.0 -23,-0.1 -23,-0.6 -0.891 18.9-143.9-146.3 108.7 -12.3 45.2 43.5 31 31 A K + 0 0 146 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.1 -0.650 38.6 151.7 -77.5 103.3 -14.4 42.0 43.1 32 32 A H - 0 0 46 -2,-1.0 -2,-0.1 2,-0.0 2,-0.1 -0.965 42.8-125.5-135.5 116.1 -17.3 43.1 40.9 33 33 A E + 0 0 134 -2,-0.4 -26,-0.0 -26,-0.1 -2,-0.0 -0.347 34.4 170.6 -64.3 136.4 -18.9 40.5 38.7 34 34 A Y - 0 0 38 -2,-0.1 2,-0.3 -28,-0.0 15,-0.1 -0.973 38.4 -93.0-141.7 154.9 -19.2 41.2 35.0 35 35 A P - 0 0 48 0, 0.0 2,-0.7 0, 0.0 17,-0.2 -0.552 27.2-161.5 -76.3 131.1 -20.1 39.1 32.0 36 36 A E - 0 0 110 -2,-0.3 9,-0.1 12,-0.1 10,-0.1 -0.950 22.1-142.1-108.2 110.1 -17.4 37.4 30.1 37 37 A I - 0 0 56 -2,-0.7 2,-0.5 8,-0.2 8,-0.1 -0.338 18.0-106.0 -75.2 156.7 -18.9 36.4 26.7 38 38 A Q + 0 0 170 -2,-0.1 2,-0.3 6,-0.1 -1,-0.1 -0.702 62.8 143.0 -78.9 127.2 -18.1 33.2 24.8 39 39 A A - 0 0 15 -2,-0.5 40,-0.2 1,-0.1 3,-0.1 -0.967 60.5-116.3-158.4 171.2 -15.8 34.3 22.0 40 40 A E S S+ 0 0 168 -2,-0.3 2,-0.4 1,-0.1 39,-0.2 0.785 97.5 48.1 -87.4 -27.9 -12.9 33.2 19.9 41 41 A K S >> S- 0 0 108 1,-0.1 3,-1.1 37,-0.1 4,-1.0 -0.932 71.2-138.0-121.1 139.6 -10.6 36.1 21.0 42 42 A L H 3> S+ 0 0 1 -2,-0.4 4,-2.4 1,-0.3 3,-0.5 0.859 103.7 67.5 -54.1 -38.7 -9.8 37.4 24.5 43 43 A E H 3> S+ 0 0 43 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.848 97.2 51.7 -51.5 -40.0 -10.0 40.9 23.0 44 44 A D H <> S+ 0 0 63 -3,-1.1 4,-2.2 2,-0.2 -1,-0.3 0.867 108.5 51.2 -67.2 -36.3 -13.8 40.5 22.5 45 45 A V H X S+ 0 0 3 -4,-1.0 4,-2.4 -3,-0.5 -8,-0.2 0.939 111.7 47.2 -65.3 -46.3 -14.2 39.4 26.1 46 46 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.928 111.0 51.1 -61.6 -46.6 -12.4 42.4 27.3 47 47 A D H X S+ 0 0 66 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.953 114.4 42.5 -56.5 -52.2 -14.3 44.8 25.1 48 48 A F H X S+ 0 0 98 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 112.8 53.8 -63.6 -39.4 -17.7 43.5 26.2 49 49 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.916 111.0 45.0 -61.6 -44.8 -16.6 43.4 29.8 50 50 A I H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.868 110.1 55.6 -67.7 -37.6 -15.5 47.0 29.9 51 51 A S H < S+ 0 0 72 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.894 112.4 42.4 -61.0 -41.0 -18.6 48.1 28.1 52 52 A W H < S+ 0 0 83 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.874 114.6 50.8 -74.4 -38.1 -20.8 46.5 30.7 53 53 A L H >X S+ 0 0 0 -4,-2.1 3,-3.0 -5,-0.2 4,-0.7 0.800 78.8 108.1 -72.0 -33.4 -18.7 47.7 33.6 54 54 A K B 3< S+g 57 0B 97 -4,-2.1 5,-0.0 1,-0.3 -4,-0.0 -0.237 89.7 16.8 -55.1 125.0 -18.5 51.4 32.8 55 55 A G T 34 S+ 0 0 70 2,-0.5 -1,-0.3 0, 0.0 -2,-0.1 0.164 115.7 74.2 98.2 -15.5 -20.6 53.4 35.2 56 56 A K T <4 S+ 0 0 100 -3,-3.0 -2,-0.2 2,-0.1 -3,-0.1 0.531 96.8 39.6-105.9 -9.8 -20.8 50.5 37.7 57 57 A V B < S-g 54 0B 12 -4,-0.7 -2,-0.5 -25,-0.0 4,-0.1 -0.928 93.0 -88.8-135.7 160.3 -17.3 50.6 39.2 58 58 A P - 0 0 56 0, 0.0 -54,-0.2 0, 0.0 -2,-0.1 -0.322 60.6 -80.8 -67.6 150.5 -14.9 53.4 40.2 59 59 A E S S+ 0 0 93 1,-0.1 2,-0.1 -56,-0.1 56,-0.1 -0.764 97.0 34.4-113.3 157.8 -12.5 54.8 37.6 60 60 A P S S+ 0 0 20 0, 0.0 -56,-2.5 0, 0.0 2,-0.3 0.615 81.9 163.9 -82.4 155.4 -10.0 54.5 36.2 61 61 A F E -bC 4 114A 0 53,-1.2 53,-3.0 -58,-0.2 2,-0.3 -0.900 23.2-161.8-135.4 164.0 -10.2 50.7 36.0 62 62 A M E -bC 5 113A 0 -58,-2.4 -56,-2.4 -2,-0.3 2,-0.3 -0.938 2.4-171.5-139.2 158.9 -8.8 47.7 34.2 63 63 A I E - C 0 112A 1 49,-1.8 49,-2.7 -2,-0.3 2,-0.3 -0.942 11.4-152.5-143.4 159.8 -9.7 44.1 33.7 64 64 A E E - C 0 111A 4 -58,-0.4 2,-0.3 -2,-0.3 47,-0.2 -0.969 9.6-171.5-138.5 155.1 -7.8 41.2 32.2 65 65 A D E + C 0 110A 9 45,-1.9 45,-2.8 -2,-0.3 2,-0.3 -0.987 16.8 165.0-142.7 140.2 -8.5 38.0 30.3 66 66 A S E + C 0 109A 14 -2,-0.3 2,-0.3 43,-0.2 16,-0.3 -0.977 7.9 177.7-152.6 164.3 -6.0 35.4 29.5 67 67 A G E - C 0 108A 1 41,-2.1 41,-2.4 -2,-0.3 2,-0.5 -0.997 30.9-111.8-164.7 165.9 -5.7 31.8 28.3 68 68 A L E -DC 78 107A 0 10,-0.5 10,-2.5 -2,-0.3 2,-0.6 -0.922 27.3-162.8-106.5 124.0 -3.5 28.9 27.3 69 69 A F E -DC 77 106A 21 37,-3.0 37,-2.3 -2,-0.5 2,-0.6 -0.930 4.8-161.5-111.9 111.3 -3.8 27.9 23.6 70 70 A I E > > - C 0 105A 0 6,-1.9 5,-1.8 -2,-0.6 3,-1.2 -0.842 9.9-151.3-100.2 118.9 -2.5 24.4 22.8 71 71 A E G > 5S+ 0 0 82 33,-1.4 3,-2.3 -2,-0.6 -1,-0.1 0.887 94.8 52.1 -50.9 -54.4 -1.6 23.6 19.2 72 72 A S G 3 5S+ 0 0 56 32,-0.5 -1,-0.3 30,-0.4 33,-0.1 0.711 113.8 47.1 -59.8 -19.3 -2.3 19.9 19.3 73 73 A L G X 5S- 0 0 35 -3,-1.2 3,-1.1 3,-0.2 -1,-0.3 0.147 122.2-105.7-108.2 17.8 -5.7 20.6 20.8 74 74 A K T < 5S- 0 0 198 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.889 80.1 -45.2 61.1 46.5 -6.5 23.4 18.3 75 75 A G T > S+D 69 0A 5 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.993 90.3 133.4 -80.4 -13.0 -8.6 25.4 26.2 78 78 A G E X S+D 68 0A 3 -10,-2.5 3,-1.7 -3,-0.5 -10,-0.5 -0.111 76.1 13.1 48.0-122.1 -8.0 29.0 25.2 79 79 A V T 3 S+ 0 0 21 1,-0.3 3,-0.3 -40,-0.2 -1,-0.3 0.754 132.1 51.4 -56.8 -27.5 -10.6 31.5 26.3 80 80 A Y T <> + 0 0 91 -3,-2.0 4,-2.4 1,-0.2 -1,-0.3 0.002 69.0 125.1-103.0 29.6 -12.1 29.0 28.6 81 81 A S H <> S+ 0 0 8 -3,-1.7 4,-2.4 -15,-0.2 -1,-0.2 0.895 72.1 54.4 -53.8 -43.7 -8.9 28.1 30.4 82 82 A S H > S+ 0 0 69 -3,-0.3 4,-2.2 -16,-0.3 -1,-0.2 0.948 109.7 44.8 -55.3 -56.5 -10.4 28.9 33.8 83 83 A Y H > S+ 0 0 131 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.915 114.2 49.5 -55.9 -47.1 -13.4 26.6 33.4 84 84 A V H X>S+ 0 0 11 -4,-2.4 4,-1.8 1,-0.2 5,-1.6 0.867 108.4 52.6 -62.7 -38.3 -11.2 23.8 32.1 85 85 A Y H <5S+ 0 0 99 -4,-2.4 4,-0.3 -5,-0.2 -1,-0.2 0.934 110.1 49.6 -62.7 -45.2 -8.7 24.1 34.9 86 86 A R H <5S+ 0 0 177 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.766 121.1 33.3 -64.7 -29.0 -11.5 23.9 37.4 87 87 A T H <5S+ 0 0 75 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.924 137.1 9.2 -95.8 -59.8 -13.1 20.8 35.8 88 88 A I T X5S- 0 0 67 -4,-1.8 4,-2.2 -5,-0.2 -3,-0.2 0.623 91.8-168.6 -98.8 -14.4 -10.5 18.5 34.3 89 89 A G H >< - 0 0 8 -5,-1.6 4,-1.4 -4,-0.3 3,-0.2 0.146 48.8 -43.4 55.9-172.9 -7.4 20.3 35.7 90 90 A L H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.833 138.7 57.4 -56.6 -36.5 -3.8 19.8 34.8 91 91 A E H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.934 103.5 53.7 -60.5 -45.9 -4.3 16.0 34.8 92 92 A G H X S+ 0 0 15 -4,-2.2 4,-1.3 -3,-0.2 -1,-0.2 0.837 111.1 45.7 -58.4 -36.2 -7.0 16.5 32.2 93 93 A I H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.962 112.8 48.4 -71.7 -52.8 -4.6 18.4 30.0 94 94 A L H < S+ 0 0 27 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.849 110.8 52.1 -56.2 -37.4 -1.7 16.0 30.3 95 95 A K H >< S+ 0 0 149 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.902 107.0 52.2 -68.0 -38.0 -4.0 13.1 29.6 96 96 A L H 3< S+ 0 0 96 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.727 114.1 46.2 -68.8 -19.6 -5.2 14.8 26.4 97 97 A M T >< S+ 0 0 1 -4,-1.2 3,-1.6 -3,-0.2 2,-0.4 0.076 74.2 136.8-112.0 25.1 -1.6 15.2 25.5 98 98 A E T < S+ 0 0 143 -3,-1.3 3,-0.1 1,-0.3 -3,-0.1 -0.583 86.5 2.3 -72.0 127.6 -0.2 11.7 26.2 99 99 A G T 3 S+ 0 0 83 -2,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.782 90.6 162.0 66.9 26.3 2.1 10.8 23.3 100 100 A A < - 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