==== 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 25-DEC-06 2E5X . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PH1917; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,N.K.LOKANATH,N.KUNISHIMA,RIKEN STRUCTURAL . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 16.2 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 . 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 . 13 7.0 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 27.6 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 . 0 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 . 1 0 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 88 0, 0.0 25,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.8 10.4 35.9 14.4 2 2 A K E -a 26 0A 96 23,-0.2 2,-0.4 57,-0.1 25,-0.2 -0.890 360.0-174.1-107.1 132.9 7.0 34.8 13.1 3 3 A I E -a 27 0A 0 23,-2.9 25,-2.3 -2,-0.5 2,-0.6 -0.987 19.4-138.6-128.0 133.0 3.9 34.7 15.3 4 4 A F E -ab 28 61A 31 56,-2.5 58,-2.7 -2,-0.4 2,-0.8 -0.805 15.0-152.8 -92.1 122.6 0.5 33.4 14.4 5 5 A F E -ab 29 62A 0 23,-2.1 25,-2.4 -2,-0.6 2,-1.1 -0.850 5.4-152.7 -98.4 106.7 -2.3 35.7 15.8 6 6 A I E +a 30 0A 0 56,-2.6 58,-0.4 -2,-0.8 2,-0.3 -0.694 47.9 115.0 -83.6 99.5 -5.4 33.6 16.4 7 7 A T - 0 0 13 -2,-1.1 23,-0.1 23,-0.7 -2,-0.1 -0.988 59.7-147.3-161.1 157.9 -8.2 36.1 16.0 8 8 A S S S+ 0 0 72 -2,-0.3 23,-0.1 23,-0.1 -2,-0.0 0.295 75.1 100.0-105.1 0.7 -11.2 37.1 13.9 9 9 A N > - 0 0 43 1,-0.2 4,-1.7 2,-0.0 3,-0.1 -0.794 50.7-170.7 -98.6 107.3 -10.7 40.8 14.6 10 10 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.834 86.1 58.1 -63.5 -32.7 -9.0 42.6 11.8 11 11 A G H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.933 105.2 49.6 -63.6 -45.3 -8.6 45.8 13.9 12 12 A K H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 109.5 53.3 -60.2 -40.4 -6.6 44.0 16.5 13 13 A V H X S+ 0 0 22 -4,-1.7 4,-3.1 1,-0.2 5,-0.3 0.937 108.0 48.8 -61.3 -48.0 -4.4 42.5 13.8 14 14 A R H X S+ 0 0 138 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.914 113.6 47.3 -58.1 -45.0 -3.5 45.9 12.3 15 15 A E H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.918 115.7 43.6 -64.8 -43.5 -2.6 47.3 15.7 16 16 A V H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.937 116.1 47.1 -67.3 -47.4 -0.5 44.3 16.7 17 17 A A H X S+ 0 0 34 -4,-3.1 4,-2.2 -5,-0.2 5,-0.2 0.895 112.3 50.3 -61.3 -43.0 1.3 44.1 13.3 18 18 A N H X S+ 0 0 53 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.944 115.6 43.1 -60.5 -48.8 1.9 47.8 13.2 19 19 A F H >< S+ 0 0 36 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.974 124.1 31.9 -62.0 -60.6 3.4 47.7 16.8 20 20 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.9 1,-0.2 3,-1.7 0.742 107.2 71.3 -73.1 -24.7 5.6 44.6 16.5 21 21 A G H ><5S+ 0 0 37 -4,-2.2 3,-2.4 -5,-0.4 -1,-0.2 0.873 87.5 64.5 -59.7 -36.2 6.3 45.0 12.9 22 22 A T T <<5S+ 0 0 103 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.674 102.9 50.0 -62.1 -15.0 8.6 48.0 13.7 23 23 A F T < 5S- 0 0 100 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.154 126.1 -99.1-108.8 17.1 10.8 45.5 15.5 24 24 A G T < 5S+ 0 0 61 -3,-2.4 2,-0.4 1,-0.3 -3,-0.2 0.569 75.3 143.4 79.8 9.7 11.0 43.0 12.7 25 25 A I < - 0 0 15 -5,-1.9 2,-0.5 -8,-0.1 -1,-0.3 -0.712 42.6-141.7 -87.7 130.0 8.3 40.6 14.0 26 26 A E E -a 2 0A 112 -25,-2.7 -23,-2.9 -2,-0.4 2,-0.5 -0.796 12.9-160.8 -93.5 127.4 6.0 39.0 11.4 27 27 A I E -a 3 0A 28 -2,-0.5 2,-0.5 -25,-0.2 -23,-0.2 -0.935 7.5-174.8-112.4 122.9 2.4 38.7 12.3 28 28 A V E -a 4 0A 48 -25,-2.3 -23,-2.1 -2,-0.5 2,-0.2 -0.964 19.4-139.0-118.4 115.8 0.2 36.2 10.4 29 29 A Q E -a 5 0A 73 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.503 18.9-174.1 -73.9 138.9 -3.5 36.2 11.3 30 30 A L E -a 6 0A 55 -25,-2.4 2,-1.5 -2,-0.2 -23,-0.7 -0.946 17.1-149.6-137.1 113.4 -5.2 32.8 11.5 31 31 A K + 0 0 129 -2,-0.4 2,-0.5 -25,-0.2 -23,-0.1 -0.659 36.6 152.7 -84.5 87.8 -9.0 32.6 12.0 32 32 A H - 0 0 60 -2,-1.5 -2,-0.1 2,-0.0 -24,-0.1 -0.960 43.0-128.6-119.6 109.8 -9.3 29.4 14.0 33 33 A E + 0 0 142 -2,-0.5 -2,-0.0 -26,-0.1 -26,-0.0 -0.328 33.1 177.4 -60.9 134.4 -12.3 29.3 16.2 34 34 A Y - 0 0 36 -2,-0.0 15,-0.1 -28,-0.0 16,-0.1 -0.984 34.8 -88.9-139.9 149.5 -11.6 28.4 19.9 35 35 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 17,-0.1 -0.298 32.8-164.3 -59.7 132.5 -13.8 28.2 23.1 36 36 A E - 0 0 123 12,-0.1 2,-0.1 13,-0.0 9,-0.1 -0.973 14.0-146.1-120.3 113.9 -14.1 31.3 25.2 37 37 A I - 0 0 61 -2,-0.5 2,-0.4 8,-0.2 12,-0.1 -0.410 20.5-108.9 -79.6 156.2 -15.4 30.6 28.6 38 38 A Q + 0 0 170 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.701 59.7 146.9 -79.4 133.3 -17.7 32.9 30.6 39 39 A A - 0 0 12 -2,-0.4 40,-0.2 1,-0.1 3,-0.1 -0.972 59.2-121.6-160.8 170.3 -15.6 34.4 33.3 40 40 A E S S+ 0 0 163 -2,-0.3 2,-0.4 1,-0.1 39,-0.2 0.743 97.1 57.7 -89.4 -27.7 -15.0 37.5 35.5 41 41 A K >> - 0 0 118 1,-0.1 4,-1.3 -3,-0.1 3,-0.9 -0.901 67.9-147.3-113.7 131.5 -11.4 37.8 34.3 42 42 A L H 3> S+ 0 0 2 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.855 102.6 65.4 -57.3 -34.2 -10.1 38.2 30.8 43 43 A E H 3> S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.869 99.0 50.0 -56.7 -40.0 -7.0 36.3 32.1 44 44 A D H <> S+ 0 0 68 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.861 108.0 52.9 -68.6 -36.2 -9.2 33.2 32.6 45 45 A V H X S+ 0 0 2 -4,-1.3 4,-2.1 2,-0.2 -8,-0.2 0.911 111.7 46.8 -64.4 -41.8 -10.6 33.4 29.1 46 46 A V H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.922 108.9 53.3 -66.5 -45.9 -7.1 33.5 27.7 47 47 A D H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 112.2 45.5 -54.6 -48.5 -5.8 30.6 29.8 48 48 A F H X S+ 0 0 89 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.905 111.3 53.1 -63.2 -43.0 -8.7 28.4 28.6 49 49 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.925 110.1 46.3 -58.7 -47.9 -8.2 29.5 25.0 50 50 A I H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.921 110.0 53.7 -62.1 -44.8 -4.5 28.7 24.9 51 51 A S H < S+ 0 0 72 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.834 114.1 42.5 -60.0 -33.3 -5.0 25.3 26.6 52 52 A W H < S+ 0 0 83 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.878 114.3 50.3 -80.3 -39.9 -7.6 24.3 24.0 53 53 A L H >X S+ 0 0 0 -4,-2.5 3,-2.7 -5,-0.2 4,-0.8 0.780 80.7 106.3 -70.8 -31.0 -5.6 25.7 21.0 54 54 A K T 3< S+ 0 0 101 -4,-2.2 5,-0.0 1,-0.3 -4,-0.0 -0.282 89.7 18.0 -55.6 131.3 -2.3 24.0 21.7 55 55 A G T 34 S+ 0 0 74 2,-0.4 -1,-0.3 1,-0.0 -2,-0.1 0.375 116.6 73.3 89.1 -4.6 -1.8 21.2 19.2 56 56 A K T <4 S+ 0 0 100 -3,-2.7 -2,-0.2 1,-0.1 -3,-0.1 0.554 96.0 38.9-115.1 -15.1 -4.4 22.6 16.9 57 57 A V S < S- 0 0 12 -4,-0.8 -2,-0.4 1,-0.0 -1,-0.1 -0.924 90.9 -89.2-134.3 159.0 -2.6 25.6 15.4 58 58 A P - 0 0 57 0, 0.0 -54,-0.2 0, 0.0 -2,-0.1 -0.225 61.3 -72.2 -65.7 159.2 0.9 26.4 14.2 59 59 A E S S+ 0 0 95 -56,-0.1 2,-0.1 2,-0.1 56,-0.1 -0.828 99.1 27.6-119.4 154.1 3.5 27.8 16.6 60 60 A P S S+ 0 0 21 0, 0.0 -56,-2.5 0, 0.0 2,-0.3 0.617 80.7 170.0 -81.8 160.5 4.3 30.1 18.1 61 61 A F E -bC 4 114A 1 53,-1.5 53,-2.8 -58,-0.2 2,-0.3 -0.927 19.7-162.6-135.4 160.1 0.9 31.7 18.5 62 62 A M E -bC 5 113A 0 -58,-2.7 -56,-2.6 -2,-0.3 2,-0.3 -0.957 3.5-173.4-137.5 154.1 -0.9 34.4 20.4 63 63 A I E - C 0 112A 1 49,-2.0 49,-2.7 -2,-0.3 2,-0.4 -0.905 10.2-150.8-138.9 166.9 -4.5 35.3 21.2 64 64 A E E - C 0 111A 4 -58,-0.4 2,-0.4 -2,-0.3 47,-0.2 -0.998 10.1-173.2-147.2 139.7 -6.0 38.4 22.9 65 65 A D E + C 0 110A 14 45,-2.2 45,-2.0 -2,-0.4 2,-0.3 -0.999 21.3 158.7-132.3 129.9 -9.1 39.0 24.9 66 66 A S E + C 0 109A 23 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.938 11.1 177.6-146.2 166.7 -10.1 42.5 25.9 67 67 A G E - C 0 108A 1 41,-1.8 41,-2.1 -2,-0.3 2,-0.5 -0.991 31.5-110.2-164.9 168.3 -13.1 44.6 27.0 68 68 A L E - C 0 107A 0 10,-0.5 10,-2.5 -2,-0.3 2,-0.6 -0.947 28.2-163.2-109.7 122.4 -14.4 47.9 28.0 69 69 A F E -DC 77 106A 24 37,-3.0 37,-2.2 -2,-0.5 2,-0.6 -0.934 5.8-158.1-111.4 112.9 -15.5 48.1 31.7 70 70 A I E > > - C 0 105A 0 6,-1.9 5,-2.6 -2,-0.6 3,-1.2 -0.814 9.1-149.0 -99.3 121.0 -17.8 51.1 32.6 71 71 A E G > 5S+ 0 0 75 33,-1.6 3,-2.1 -2,-0.6 -1,-0.1 0.889 95.9 49.0 -50.9 -54.2 -17.9 52.3 36.2 72 72 A S G 3 5S+ 0 0 50 32,-0.5 -1,-0.3 30,-0.3 33,-0.1 0.643 112.5 51.7 -66.5 -13.7 -21.5 53.5 36.3 73 73 A L G X 5S- 0 0 33 -3,-1.2 3,-1.6 3,-0.2 -1,-0.3 0.112 120.1-109.4-106.1 18.5 -22.6 50.2 34.7 74 74 A K T < 5S- 0 0 202 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.826 79.7 -45.0 60.3 36.1 -20.7 48.1 37.3 75 75 A G T 3 S+D 69 0A 6 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 -0.978 89.6 129.5 -80.1 -19.9 -20.0 45.2 29.2 78 78 A G G > S+ 0 0 3 -10,-2.5 3,-1.9 -3,-0.4 -10,-0.5 -0.136 79.9 12.4 49.9-123.6 -16.5 44.0 30.2 79 79 A V G 3 S+ 0 0 25 1,-0.3 3,-0.3 -40,-0.2 -1,-0.3 0.717 133.3 52.0 -58.4 -21.2 -15.7 40.4 29.2 80 80 A Y G <> + 0 0 91 -3,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.003 69.7 124.8-107.0 29.2 -18.8 40.4 27.0 81 81 A S H <> S+ 0 0 8 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.858 72.6 52.2 -54.5 -40.5 -17.9 43.6 25.2 82 82 A S H > S+ 0 0 79 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.957 110.1 45.7 -63.9 -51.9 -18.1 41.9 21.8 83 83 A Y H > S+ 0 0 139 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.915 114.7 48.7 -57.0 -45.9 -21.6 40.4 22.3 84 84 A V H X>S+ 0 0 10 -4,-2.4 5,-1.9 1,-0.2 4,-1.1 0.892 108.9 53.3 -62.2 -40.7 -22.9 43.8 23.7 85 85 A Y H <5S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.909 110.1 48.2 -61.3 -41.1 -21.3 45.6 20.7 86 86 A R H <5S+ 0 0 164 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.680 122.2 32.6 -74.3 -19.2 -23.1 43.3 18.3 87 87 A T H <5S+ 0 0 77 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.2 0.860 135.3 10.7-102.9 -71.3 -26.5 43.7 20.0 88 88 A I T X5S- 0 0 75 -4,-1.1 4,-1.7 -5,-0.2 -3,-0.2 0.682 93.1-168.2 -85.7 -16.5 -27.2 47.0 21.6 89 89 A G H >< - 0 0 15 -5,-1.9 4,-1.6 2,-0.2 3,-0.2 0.042 47.6 -45.5 62.0-170.6 -24.2 48.7 20.0 90 90 A L H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.840 137.7 60.3 -64.2 -32.4 -22.6 52.1 20.8 91 91 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 102.4 52.4 -62.3 -39.0 -26.2 53.6 20.9 92 92 A G H X S+ 0 0 15 -4,-1.7 4,-2.7 -3,-0.2 -1,-0.2 0.930 109.2 48.1 -63.0 -46.4 -27.0 51.2 23.7 93 93 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.938 113.7 47.2 -59.6 -48.1 -24.1 52.2 25.8 94 94 A L H < S+ 0 0 25 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.884 111.4 51.2 -62.0 -39.2 -24.9 55.9 25.2 95 95 A K H >< S+ 0 0 131 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.936 111.2 47.6 -63.9 -45.2 -28.5 55.3 26.1 96 96 A L H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.853 113.4 48.7 -62.8 -34.5 -27.6 53.6 29.3 97 97 A M T >< S+ 0 0 0 -4,-2.1 3,-1.3 -5,-0.2 -1,-0.3 0.327 80.9 140.9 -88.0 6.8 -25.2 56.4 30.1 98 98 A E T < S- 0 0 125 -3,-1.4 3,-0.1 1,-0.3 -3,-0.1 -0.296 78.4 -2.1 -55.9 121.7 -27.8 59.1 29.4 99 99 A G T 3 S+ 0 0 79 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.129 96.3 135.8 84.9 -22.3 -27.5 61.9 32.0 100 100 A A < - 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