==== 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 16-JAN-03 1J31 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PH0642; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.SAKAI,Y.TAJIKA,M.YAO,N.WATANABE,I.TANAKA . 1048 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 734 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 17.6 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 . 90 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 6 5 0 1 0 4 0 0 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 12 0 3 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 PARALLEL BRIDGES PER LADDER . 0 8 12 0 0 4 4 0 4 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 . 8 0 0 0 4 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 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 X 0 0 160 0, 0.0 2,-0.4 0, 0.0 235,-0.2 0.000 360.0 360.0 360.0 156.3 -19.5 6.8 -12.9 2 2 A V E -A 235 0A 13 233,-1.9 233,-2.7 231,-0.1 2,-0.4 -0.997 360.0-120.8-146.9 144.9 -19.9 6.4 -16.6 3 3 A K E +A 234 0A 72 31,-0.4 33,-3.2 -2,-0.4 34,-0.7 -0.721 34.5 169.3 -88.5 135.0 -22.8 5.9 -18.9 4 4 A V E -Ab 233 37A 0 229,-2.4 229,-2.6 -2,-0.4 2,-0.3 -0.915 6.9-178.5-137.5 162.5 -22.9 2.8 -21.1 5 5 A G E -Ab 232 38A 0 32,-2.1 34,-1.6 -2,-0.3 2,-0.3 -0.989 25.2-121.2-161.0 165.1 -25.6 1.3 -23.3 6 6 A Y E -Ab 231 39A 2 225,-1.8 225,-1.7 -2,-0.3 2,-0.6 -0.807 19.0-142.9-106.2 152.8 -27.0 -1.3 -25.6 7 7 A I E -A 230 0A 0 32,-2.4 2,-0.8 -2,-0.3 223,-0.2 -0.971 14.5-164.5-113.7 107.7 -28.3 -0.7 -29.1 8 8 A Q E +A 229 0A 0 221,-2.8 221,-2.0 -2,-0.6 2,-0.3 -0.856 28.5 153.6 -96.1 109.6 -31.3 -3.0 -29.7 9 9 A X - 0 0 0 -2,-0.8 189,-1.3 187,-0.4 199,-0.1 -0.806 46.3-117.2-133.3 173.5 -31.9 -2.9 -33.5 10 10 A E - 0 0 53 -2,-0.3 189,-0.1 187,-0.2 218,-0.1 -0.815 26.5-153.0-116.7 93.3 -33.3 -5.0 -36.3 11 11 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 37,-0.1 -0.333 11.1-137.1 -61.6 146.1 -30.8 -6.0 -38.9 12 12 A K > - 0 0 89 3,-0.3 3,-2.1 32,-0.2 7,-0.2 -0.927 37.0-104.1-102.4 120.2 -32.1 -6.6 -42.4 13 13 A I T 3 S- 0 0 30 -2,-0.6 34,-0.3 1,-0.3 33,-0.1 -0.167 95.6 -5.6 -52.9 128.0 -30.4 -9.8 -43.7 14 14 A L T 3 S+ 0 0 57 32,-2.8 2,-1.0 1,-0.1 -1,-0.3 0.411 99.6 115.1 69.4 1.8 -27.7 -9.0 -46.3 15 15 A E <> + 0 0 72 -3,-2.1 4,-2.2 1,-0.2 -3,-0.3 -0.593 34.6 168.3-102.4 71.9 -28.4 -5.3 -46.4 16 16 A L H > S+ 0 0 21 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.897 72.3 49.9 -50.8 -51.1 -25.2 -3.9 -45.0 17 17 A D H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 110.8 48.6 -60.9 -40.8 -25.8 -0.3 -45.8 18 18 A K H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 112.1 50.3 -64.9 -37.4 -29.2 -0.2 -44.4 19 19 A N H X S+ 0 0 2 -4,-2.2 4,-2.4 26,-0.3 -2,-0.2 0.867 109.4 50.5 -70.3 -34.8 -27.9 -1.8 -41.2 20 20 A Y H X S+ 0 0 13 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.933 109.8 51.0 -66.1 -44.3 -25.1 0.7 -40.9 21 21 A S H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.910 112.4 46.1 -58.6 -43.4 -27.6 3.6 -41.3 22 22 A K H X S+ 0 0 56 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.917 112.4 49.8 -66.5 -44.1 -29.8 2.2 -38.6 23 23 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.935 111.0 50.9 -58.9 -45.3 -26.8 1.6 -36.2 24 24 A E H X S+ 0 0 54 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.932 108.5 50.9 -60.2 -45.3 -25.7 5.1 -36.8 25 25 A K H X S+ 0 0 105 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.952 116.6 40.1 -58.4 -47.7 -29.1 6.6 -36.0 26 26 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.886 113.7 52.1 -72.1 -37.2 -29.3 4.7 -32.8 27 27 A I H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.897 108.6 52.4 -66.1 -37.6 -25.7 5.2 -31.7 28 28 A K H X S+ 0 0 93 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.911 108.6 50.7 -63.5 -39.0 -26.1 9.0 -32.3 29 29 A E H X S+ 0 0 60 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.922 111.4 47.5 -62.1 -43.5 -29.1 8.9 -30.0 30 30 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.888 108.9 54.5 -65.3 -37.5 -27.1 7.0 -27.3 31 31 A S H ><5S+ 0 0 31 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.922 105.4 53.2 -59.8 -45.6 -24.2 9.5 -27.7 32 32 A K H 3<5S+ 0 0 167 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 105.4 54.8 -60.1 -31.2 -26.7 12.4 -27.1 33 33 A E T 3<5S- 0 0 107 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.454 126.6-103.7 -81.3 -1.9 -27.8 10.6 -23.9 34 34 A G T < 5 + 0 0 34 -3,-1.8 -31,-0.4 1,-0.2 -3,-0.2 0.513 60.5 162.9 96.6 4.3 -24.1 10.6 -22.8 35 35 A A < - 0 0 6 -5,-2.4 -1,-0.2 1,-0.2 -31,-0.2 -0.335 19.3-174.7 -59.6 136.4 -23.1 7.0 -23.4 36 36 A K S S+ 0 0 103 -33,-3.2 46,-2.6 1,-0.3 2,-0.3 0.546 77.1 33.0-106.4 -12.7 -19.3 6.5 -23.6 37 37 A L E -bc 4 82A 1 -34,-0.7 -32,-2.1 44,-0.2 2,-0.3 -0.986 69.7-176.4-142.3 129.7 -19.6 2.8 -24.6 38 38 A V E -bc 5 83A 0 44,-2.2 46,-2.2 -2,-0.3 2,-0.4 -0.962 11.3-151.4-128.8 147.0 -22.3 1.3 -26.7 39 39 A V E -bc 6 84A 0 -34,-1.6 -32,-2.4 -2,-0.3 46,-0.2 -0.980 7.1-160.5-119.9 130.0 -22.8 -2.4 -27.7 40 40 A L - 0 0 0 44,-2.7 46,-0.4 -2,-0.4 155,-0.2 -0.676 31.9 -89.8-103.0 161.3 -24.5 -3.5 -31.0 41 41 A P > - 0 0 0 0, 0.0 45,-1.5 0, 0.0 3,-1.0 -0.045 51.1 -78.3 -65.1 169.6 -26.0 -7.0 -31.6 42 42 A E T 3 S+ 0 0 0 128,-0.8 128,-0.1 153,-0.4 5,-0.1 -0.376 115.2 0.2 -61.3 145.3 -24.4 -10.1 -32.9 43 43 A L T 3> S+ 0 0 0 55,-0.4 4,-2.0 1,-0.1 -1,-0.3 0.851 80.9 162.4 38.5 52.1 -24.0 -10.0 -36.7 44 44 A F T <4 + 0 0 0 42,-1.8 -32,-0.2 -3,-1.0 43,-0.2 0.811 69.0 48.6 -72.1 -26.3 -25.6 -6.6 -36.8 45 45 A D T 4 S+ 0 0 0 41,-0.7 -26,-0.3 -4,-0.2 -1,-0.2 0.874 122.9 25.0 -80.0 -38.6 -24.3 -5.9 -40.3 46 46 A T T 4 S- 0 0 0 1,-0.3 -32,-2.8 -32,-0.1 -2,-0.2 0.652 97.2-129.0-101.7 -19.2 -25.2 -9.1 -42.1 47 47 A G < - 0 0 0 -4,-2.0 -1,-0.3 -34,-0.3 3,-0.1 -0.384 21.4-106.6 87.5-175.0 -28.1 -10.5 -40.3 48 48 A Y S S+ 0 0 22 -37,-0.1 2,-2.0 -2,-0.1 -1,-0.1 0.817 84.7 77.8-123.1 -47.1 -28.2 -14.1 -39.1 49 49 A N + 0 0 28 155,-0.1 -1,-0.1 2,-0.0 155,-0.1 -0.400 59.1 179.7 -85.0 68.9 -30.3 -16.7 -40.7 50 50 A F - 0 0 1 -2,-2.0 3,-0.1 1,-0.1 -3,-0.0 -0.312 26.4-153.9 -68.6 146.6 -28.3 -17.5 -43.8 51 51 A E S S+ 0 0 138 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.678 80.3 11.2 -93.1 -17.4 -29.5 -20.2 -46.2 52 52 A S S > S- 0 0 33 1,-0.1 4,-1.0 71,-0.0 3,-0.3 -0.983 71.2-117.7-153.4 157.6 -26.0 -21.0 -47.5 53 53 A R H > S+ 0 0 52 -2,-0.3 4,-2.7 1,-0.2 3,-0.3 0.868 111.7 64.2 -65.4 -32.7 -22.5 -20.2 -46.6 54 54 A E H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 94.7 55.5 -62.1 -37.0 -22.2 -18.5 -50.0 55 55 A E H 4 S+ 0 0 28 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.902 114.8 38.6 -68.8 -32.6 -24.7 -15.7 -49.2 56 56 A V H >X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.3 3,-1.2 0.884 112.6 56.8 -80.7 -36.1 -22.8 -14.6 -46.1 57 57 A F H 3< S+ 0 0 51 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.889 102.1 58.0 -59.7 -37.3 -19.4 -15.1 -47.6 58 58 A D T 3< S+ 0 0 124 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.699 117.8 29.3 -68.3 -18.7 -20.3 -12.7 -50.4 59 59 A V T <4 S+ 0 0 34 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.616 90.0 116.7-113.2 -16.5 -21.1 -9.8 -48.1 60 60 A A < - 0 0 4 -4,-2.3 2,-0.3 29,-0.1 29,-0.2 -0.201 54.6-138.1 -60.0 142.3 -18.8 -10.5 -45.1 61 61 A Q B -d 89 0A 52 27,-1.2 29,-2.0 5,-0.1 2,-0.2 -0.733 9.2-117.3-107.5 151.0 -16.1 -7.9 -44.4 62 62 A Q > - 0 0 72 -2,-0.3 4,-2.0 27,-0.2 7,-0.4 -0.485 42.5 -96.6 -78.1 149.8 -12.5 -8.2 -43.4 63 63 A I T 4 S- 0 0 11 27,-0.5 4,-0.1 1,-0.2 47,-0.1 -0.954 93.5 -2.4-113.7 135.2 -11.3 -6.7 -40.0 64 64 A P T 4 S+ 0 0 31 0, 0.0 -1,-0.2 0, 0.0 43,-0.1 -0.966 135.7 42.9 -99.5 9.4 -10.1 -4.1 -39.5 65 65 A E T 4 S+ 0 0 63 4,-0.1 -2,-0.2 5,-0.1 -3,-0.0 0.597 91.2 96.8 -91.9 -7.6 -9.9 -2.7 -43.1 66 66 A G S X S- 0 0 9 -4,-2.0 4,-2.3 24,-0.1 5,-0.2 -0.200 89.9 -95.0 -74.4 173.1 -13.4 -3.8 -44.3 67 67 A E H > S+ 0 0 99 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.829 116.5 54.7 -62.0 -38.0 -16.5 -1.6 -44.3 68 68 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.959 113.6 39.6 -64.9 -48.3 -18.0 -2.5 -41.0 69 69 A T H > S+ 0 0 1 -7,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.912 116.9 51.0 -67.5 -38.0 -14.9 -1.8 -38.9 70 70 A T H X S+ 0 0 61 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.926 111.4 48.1 -63.8 -43.7 -14.1 1.3 -40.9 71 71 A F H X S+ 0 0 23 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.923 113.0 47.1 -61.9 -47.9 -17.7 2.6 -40.5 72 72 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.869 107.5 56.8 -65.2 -35.3 -17.7 2.0 -36.8 73 73 A X H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.874 105.7 53.3 -60.5 -37.7 -14.3 3.6 -36.4 74 74 A E H X S+ 0 0 76 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.954 109.4 46.2 -63.6 -49.2 -15.8 6.7 -38.0 75 75 A L H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.936 114.3 48.0 -58.8 -43.6 -18.7 6.9 -35.5 76 76 A A H X>S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 5,-1.3 0.910 115.0 45.9 -64.3 -40.3 -16.4 6.3 -32.5 77 77 A R H <5S+ 0 0 129 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.916 119.4 39.5 -67.0 -46.8 -13.9 9.0 -33.8 78 78 A E H <5S+ 0 0 133 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.794 123.9 36.7 -81.0 -26.8 -16.6 11.6 -34.5 79 79 A L H <5S- 0 0 52 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.667 103.3-125.0 -97.4 -19.1 -18.9 11.0 -31.6 80 80 A G T <5 + 0 0 43 -4,-1.6 2,-0.3 -5,-0.4 -3,-0.2 0.944 67.1 108.6 78.9 48.6 -16.1 10.3 -29.0 81 81 A L < - 0 0 1 -5,-1.3 2,-0.3 -6,-0.2 -1,-0.3 -0.909 65.4-107.1-146.8 173.2 -17.2 6.9 -27.7 82 82 A Y E -c 37 0A 49 -46,-2.6 -44,-2.2 -2,-0.3 2,-0.4 -0.825 29.8-162.4-105.6 148.1 -16.3 3.2 -27.7 83 83 A I E -cE 38 102A 0 19,-2.5 19,-2.2 -2,-0.3 2,-0.5 -0.994 14.3-171.3-134.4 135.4 -18.2 0.6 -29.6 84 84 A V E +cE 39 101A 0 -46,-2.2 -44,-2.7 -2,-0.4 2,-0.3 -0.996 24.4 171.2-119.6 130.6 -18.3 -3.2 -29.4 85 85 A A E - E 0 100A 0 15,-2.1 15,-2.6 -2,-0.5 2,-0.3 -0.997 33.8-121.5-146.0 138.8 -20.3 -4.8 -32.3 86 86 A G E + E 0 99A 0 -45,-1.5 -42,-1.8 -46,-0.4 -41,-0.7 -0.596 40.9 166.0 -76.0 138.4 -21.0 -8.2 -33.7 87 87 A T E - E 0 98A 1 11,-2.8 11,-2.1 -2,-0.3 2,-0.5 -0.994 43.5-108.7-153.6 147.0 -20.0 -8.7 -37.4 88 88 A A E - E 0 97A 0 -2,-0.3 -27,-1.2 9,-0.2 2,-0.5 -0.703 41.7-149.2 -76.6 122.5 -19.5 -11.4 -39.9 89 89 A E E -dE 61 96A 2 7,-2.9 7,-2.3 -2,-0.5 2,-0.5 -0.853 9.7-159.1-102.4 124.7 -15.7 -11.6 -40.4 90 90 A K E + E 0 95A 54 -29,-2.0 -27,-0.5 -2,-0.5 2,-0.3 -0.859 15.2 172.5 -97.4 130.7 -14.1 -12.7 -43.6 91 91 A S E > - 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F 0 106A 0 3,-2.5 3,-1.8 -2,-0.3 -26,-0.2 -0.798 50.0 -70.6-142.5-174.2 -12.7 3.7 -29.9 104 104 A P T 3 S+ 0 0 40 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 0.710 129.5 45.9 -56.1 -23.0 -12.0 7.5 -30.5 105 105 A R T 3 S- 0 0 244 1,-0.3 2,-0.3 -25,-0.0 -32,-0.1 0.405 120.7 -94.0-101.7 -0.6 -8.4 6.7 -31.6 106 106 A G E < S+F 103 0A 15 -3,-1.8 -3,-2.5 -33,-0.1 -1,-0.3 -0.855 74.8 3.3 130.0-162.1 -9.2 3.8 -34.0 107 107 A Y E +F 102 0A 79 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.402 47.5 177.5 -65.3 134.8 -9.4 0.0 -34.1 108 108 A I E - 0 0 57 -7,-2.7 2,-0.3 1,-0.4 -6,-0.2 0.785 49.6 -69.9-107.6 -41.9 -8.8 -1.6 -30.7 109 109 A G E -F 101 0A 4 -8,-1.8 -8,-2.7 25,-0.1 -1,-0.4 -0.995 37.9-108.6 169.8-176.6 -9.3 -5.3 -31.3 110 110 A K E -F 100 0A 35 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.959 8.3-153.8-144.0 160.1 -11.6 -8.3 -32.1 111 111 A Y E -F 99 0A 0 -12,-2.3 -12,-2.6 -2,-0.3 2,-0.5 -0.981 11.4-148.6-131.9 141.5 -13.1 -11.4 -30.6 112 112 A R E -F 98 0A 17 18,-0.4 17,-0.3 -2,-0.4 -14,-0.2 -0.968 35.9-101.4-115.4 123.3 -14.2 -14.6 -32.5 113 113 A K - 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