==== 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 27-FEB-06 2DF8 . COMPND 2 MOLECULE: 325AA LONG HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 649 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 55 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 35.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 0 3 1 0 2 0 4 0 0 6 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 7 4 5 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 108 0, 0.0 4,-0.1 0, 0.0 131,-0.0 0.000 360.0 360.0 360.0 132.4 4.6 -7.8 -10.3 2 2 A K > + 0 0 83 2,-0.1 4,-2.6 3,-0.1 5,-0.2 0.617 360.0 81.4-117.8 -22.5 1.3 -7.3 -8.4 3 3 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.906 96.6 43.5 -53.8 -49.8 2.3 -5.3 -5.3 4 4 A L H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 113.4 51.7 -64.5 -42.9 2.5 -1.9 -7.0 5 5 A I H 4 S+ 0 0 83 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.917 111.3 48.8 -58.9 -42.4 -0.8 -2.5 -8.9 6 6 A E H >< S+ 0 0 10 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.880 107.1 53.9 -67.5 -37.4 -2.4 -3.5 -5.6 7 7 A I H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.928 107.0 53.8 -60.9 -42.5 -1.2 -0.4 -3.8 8 8 A K T 3< S+ 0 0 88 -4,-2.2 4,-0.3 1,-0.3 -1,-0.3 0.562 94.4 69.0 -70.5 -7.9 -2.7 1.7 -6.5 9 9 A Q T <> + 0 0 74 -3,-1.1 4,-2.4 -4,-0.4 -1,-0.3 0.387 68.5 104.4 -90.2 5.8 -6.1 0.1 -6.1 10 10 A T H <> S+ 0 0 0 -3,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.907 75.7 52.6 -52.5 -47.5 -6.4 1.8 -2.7 11 11 A P H > S+ 0 0 13 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.933 112.9 43.5 -56.2 -47.0 -8.9 4.4 -4.0 12 12 A D H > S+ 0 0 86 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.828 106.3 63.2 -67.5 -31.2 -11.2 1.7 -5.4 13 13 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.868 99.8 53.5 -60.5 -37.0 -10.8 -0.3 -2.2 14 14 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 -3,-0.4 -1,-0.2 0.908 109.2 48.3 -63.7 -42.1 -12.4 2.4 -0.3 15 15 A I H X S+ 0 0 74 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.915 111.5 49.6 -64.8 -43.4 -15.4 2.4 -2.6 16 16 A K H X S+ 0 0 66 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.890 109.9 52.4 -61.9 -39.8 -15.6 -1.4 -2.4 17 17 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.909 107.0 51.4 -63.2 -43.2 -15.5 -1.1 1.4 18 18 A D H X S+ 0 0 37 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.885 107.8 53.5 -62.4 -38.4 -18.3 1.4 1.5 19 19 A K H X S+ 0 0 123 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.921 110.0 46.6 -62.9 -44.2 -20.5 -0.9 -0.6 20 20 A V H X S+ 0 0 16 -4,-2.0 4,-2.0 2,-0.2 3,-0.3 0.933 110.3 54.2 -63.5 -45.7 -19.9 -3.8 1.8 21 21 A F H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.941 108.6 47.8 -52.7 -52.6 -20.7 -1.5 4.8 22 22 A N H < S+ 0 0 70 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.782 110.0 53.8 -63.0 -26.8 -24.0 -0.5 3.3 23 23 A K H < S+ 0 0 120 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.870 121.8 27.1 -75.5 -36.1 -25.0 -4.0 2.6 24 24 A V H >X S+ 0 0 23 -4,-2.0 3,-2.4 -3,-0.3 4,-1.3 0.543 88.3 102.0-104.5 -8.0 -24.4 -5.3 6.1 25 25 A K T 3< S+ 0 0 47 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.768 89.8 40.4 -49.9 -33.9 -25.0 -2.2 8.3 26 26 A D T 34 S+ 0 0 121 -4,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.366 113.1 55.4 -98.1 6.8 -28.5 -3.3 9.4 27 27 A K T <4 S+ 0 0 160 -3,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.547 105.7 52.9-109.0 -15.3 -27.6 -7.0 9.8 28 28 A I < - 0 0 7 -4,-1.3 2,-0.6 -3,-0.0 -1,-0.2 -0.982 62.0-166.7-129.0 123.1 -24.7 -6.5 12.2 29 29 A S - 0 0 95 -2,-0.4 121,-0.1 -3,-0.1 -3,-0.1 -0.934 15.9-145.4-109.7 115.9 -24.8 -4.5 15.5 30 30 A L - 0 0 6 -2,-0.6 4,-0.1 119,-0.3 52,-0.1 -0.684 17.6-148.8 -84.1 129.7 -21.4 -3.7 17.0 31 31 A P - 0 0 31 0, 0.0 3,-0.1 0, 0.0 28,-0.1 0.030 23.4-102.2 -82.5-168.9 -21.4 -3.7 20.9 32 32 A N S S+ 0 0 75 1,-0.2 27,-3.3 26,-0.1 2,-0.8 0.913 104.9 52.9 -84.7 -48.0 -19.3 -1.7 23.4 33 33 A R E S+a 59 0A 77 25,-0.2 48,-2.1 27,-0.1 49,-1.0 -0.813 72.0 171.7 -97.0 108.1 -16.7 -4.3 24.5 34 34 A I E -ab 60 82A 3 25,-2.5 27,-1.9 -2,-0.8 2,-0.5 -0.952 23.0-154.5-124.1 136.1 -15.0 -5.7 21.4 35 35 A L E -ab 61 83A 2 47,-2.7 49,-3.3 -2,-0.4 2,-0.5 -0.910 12.6-156.8-105.6 129.8 -11.9 -8.0 21.2 36 36 A Y E -ab 62 84A 0 25,-3.0 27,-2.2 -2,-0.5 2,-0.4 -0.938 10.2-172.8-112.5 124.5 -9.9 -7.8 17.9 37 37 A L E +ab 63 85A 0 47,-3.1 49,-3.1 -2,-0.5 2,-0.3 -0.937 19.7 130.2-119.2 138.0 -7.8 -10.8 16.9 38 38 A G E -ab 64 86A 0 25,-1.2 27,-1.4 -2,-0.4 2,-0.4 -0.977 40.5-121.9-170.9 168.9 -5.3 -11.0 14.0 39 39 A C > - 0 0 13 47,-0.5 3,-1.9 -2,-0.3 4,-0.2 -0.954 69.6 -25.5-125.9 145.8 -1.8 -12.0 13.0 40 40 A G T >> S+ 0 0 2 -2,-0.4 4,-1.8 1,-0.3 3,-1.2 -0.318 136.9 0.9 57.4-129.3 1.0 -9.9 11.4 41 41 A S H 3> S+ 0 0 11 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.837 135.2 58.4 -59.2 -32.8 -0.4 -7.0 9.5 42 42 A S H <> S+ 0 0 10 -3,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.761 103.4 53.0 -69.0 -23.3 -3.9 -8.2 10.5 43 43 A H H <> S+ 0 0 19 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.898 108.1 49.2 -75.7 -41.8 -2.8 -7.8 14.1 44 44 A F H X S+ 0 0 17 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.865 110.7 50.6 -65.4 -32.1 -1.7 -4.2 13.5 45 45 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.894 107.5 54.5 -69.4 -37.9 -5.0 -3.6 11.8 46 46 A S H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.892 106.9 50.5 -60.5 -40.4 -6.6 -5.1 15.0 47 47 A K H X S+ 0 0 64 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.909 110.4 49.9 -64.1 -41.2 -4.7 -2.6 17.1 48 48 A L H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.913 112.2 47.0 -63.7 -42.9 -5.9 0.3 14.9 49 49 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.894 110.7 52.0 -66.9 -39.6 -9.5 -0.9 15.2 50 50 A A H X S+ 0 0 6 -4,-2.6 4,-2.1 1,-0.2 10,-0.4 0.934 110.7 49.4 -61.8 -43.4 -9.2 -1.3 18.9 51 51 A M H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.910 111.0 46.9 -62.5 -44.8 -7.9 2.3 19.2 52 52 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.822 108.7 57.0 -69.4 -27.8 -10.6 3.8 17.1 53 53 A T H <>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 -1,-0.2 0.933 109.8 44.5 -65.9 -43.8 -13.2 1.9 19.1 54 54 A N H ><5S+ 0 0 16 -4,-2.1 3,-1.9 345,-0.3 -2,-0.2 0.913 108.6 57.9 -65.1 -41.1 -11.8 3.5 22.2 55 55 A M H 3<5S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 106.8 49.2 -57.4 -35.4 -11.8 6.9 20.5 56 56 A H T 3<5S- 0 0 47 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.210 128.7 -91.0 -92.4 14.9 -15.5 6.6 19.8 57 57 A G T < 5S+ 0 0 58 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.489 91.3 110.2 94.6 1.5 -16.5 5.7 23.4 58 58 A G S > -a 38 0A 8 0, 0.0 4,-1.5 0, 0.0 3,-0.9 -0.525 40.5-115.8 -70.0 144.7 -2.1 -11.3 18.4 65 65 A C H 3> S+ 0 0 0 -27,-1.4 4,-2.1 1,-0.2 3,-0.4 0.888 112.4 51.2 -49.4 -48.9 -3.9 -14.7 17.8 66 66 A S H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.792 106.0 55.1 -63.5 -28.1 -1.2 -16.8 19.4 67 67 A E H <> S+ 0 0 1 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.845 109.4 47.5 -72.9 -32.2 -1.1 -14.6 22.6 68 68 A F H X S+ 0 0 7 -4,-1.5 4,-0.6 -3,-0.4 -2,-0.2 0.876 113.2 50.4 -72.5 -36.5 -4.9 -15.2 23.0 69 69 A L H < S+ 0 0 14 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.908 128.9 14.9 -67.4 -43.3 -4.4 -18.9 22.4 70 70 A Y H < S+ 0 0 88 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.579 135.6 27.1-112.8 -11.7 -1.6 -19.5 24.9 71 71 A S H >< + 0 0 17 -4,-2.0 3,-1.8 -5,-0.3 4,-0.2 0.009 64.4 134.3-143.4 35.0 -1.4 -16.5 27.3 72 72 A K G >< + 0 0 106 -4,-0.6 3,-2.0 1,-0.3 5,-0.4 0.796 65.6 72.0 -57.8 -29.3 -4.8 -14.8 27.5 73 73 A E G 3 S+ 0 0 84 1,-0.3 -1,-0.3 3,-0.1 309,-0.3 0.700 90.9 59.1 -61.0 -20.7 -4.6 -14.6 31.3 74 74 A T G < S+ 0 0 3 -3,-1.8 -1,-0.3 -7,-0.2 305,-0.3 0.447 96.2 79.2 -89.4 1.5 -2.0 -11.8 31.0 75 75 A Y S < S- 0 0 36 -3,-2.0 2,-1.9 -4,-0.2 3,-0.4 -0.853 83.2-121.8-115.6 147.8 -4.3 -9.5 29.1 76 76 A P + 0 0 39 0, 0.0 -3,-0.1 0, 0.0 308,-0.0 -0.304 61.9 135.5 -78.3 53.5 -7.2 -7.2 30.1 77 77 A I + 0 0 14 -2,-1.9 -4,-0.1 -5,-0.4 -16,-0.0 0.943 25.5 158.1 -68.7 -49.9 -9.7 -9.0 28.0 78 78 A G + 0 0 57 -3,-0.4 2,-0.4 2,-0.1 -1,-0.1 -0.214 57.6 1.0 60.4-148.7 -12.5 -9.2 30.5 79 79 A E S S- 0 0 141 2,-0.0 2,-0.5 -45,-0.0 0, 0.0 -0.595 71.4-157.7 -76.1 126.8 -16.1 -9.6 29.3 80 80 A V + 0 0 22 -2,-0.4 -46,-0.2 1,-0.1 3,-0.1 -0.926 20.0 178.2-109.4 125.7 -16.2 -9.8 25.5 81 81 A E S S+ 0 0 90 -48,-2.1 24,-0.5 -2,-0.5 2,-0.3 0.661 77.8 13.9 -96.0 -20.3 -19.5 -8.9 23.7 82 82 A L E -b 34 0A 1 -49,-1.0 -47,-2.7 22,-0.1 2,-0.5 -0.963 61.8-152.8-156.6 136.7 -18.0 -9.5 20.2 83 83 A A E -bc 35 106A 0 22,-2.3 24,-2.7 -2,-0.3 2,-0.6 -0.959 13.4-159.6-111.6 125.5 -14.8 -11.1 18.9 84 84 A V E -bc 36 107A 0 -49,-3.3 -47,-3.1 -2,-0.5 2,-0.6 -0.929 2.3-160.9-108.8 117.6 -13.6 -9.8 15.6 85 85 A G E -bc 37 108A 0 22,-2.7 24,-2.3 -2,-0.6 2,-0.6 -0.882 6.3-162.2-101.3 118.5 -11.3 -12.1 13.6 86 86 A I E +bc 38 109A 1 -49,-3.1 -47,-0.5 -2,-0.6 2,-0.3 -0.885 24.8 146.8-105.7 121.9 -9.2 -10.3 11.0 87 87 A S - 0 0 4 22,-2.7 24,-0.4 -2,-0.6 29,-0.1 -0.833 35.1-157.5-156.7 112.1 -7.6 -12.4 8.2 88 88 A R S S+ 0 0 30 -2,-0.3 23,-1.8 1,-0.2 24,-0.3 0.917 104.3 33.8 -54.0 -46.6 -7.0 -11.3 4.7 89 89 A S S S- 0 0 22 21,-0.1 -1,-0.2 232,-0.1 27,-0.1 0.823 94.3-143.8 -78.9 -34.3 -6.8 -14.9 3.5 90 90 A G S S+ 0 0 0 19,-0.2 26,-2.1 24,-0.1 25,-0.3 0.648 82.8 86.9 75.7 16.6 -9.4 -16.2 6.0 91 91 A E + 0 0 30 24,-0.2 2,-0.2 23,-0.1 231,-0.1 0.438 45.0 130.5-125.9 -3.5 -7.2 -19.3 6.3 92 92 A T >> - 0 0 15 1,-0.1 4,-1.6 232,-0.1 3,-0.9 -0.361 54.0-140.7 -58.3 118.9 -4.6 -18.5 8.9 93 93 A T H 3> S+ 0 0 22 230,-1.3 4,-2.6 1,-0.2 5,-0.2 0.886 96.5 57.2 -49.9 -47.3 -4.6 -21.5 11.3 94 94 A E H 3> S+ 0 0 0 229,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.825 105.6 49.5 -57.7 -34.6 -4.1 -19.4 14.4 95 95 A I H <> S+ 0 0 2 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.877 111.3 49.5 -74.0 -34.5 -7.2 -17.3 13.8 96 96 A L H X S+ 0 0 27 -4,-1.6 4,-1.8 -3,-0.2 -2,-0.2 0.924 113.1 46.8 -67.0 -43.0 -9.3 -20.4 13.2 97 97 A L H < S+ 0 0 49 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.875 113.1 50.0 -65.2 -38.2 -8.0 -21.9 16.4 98 98 A A H >< S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 4,-0.3 0.942 111.1 46.7 -67.0 -48.9 -8.6 -18.7 18.3 99 99 A L H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.837 104.8 59.5 -65.5 -33.4 -12.2 -18.2 17.2 100 100 A E T 3< S+ 0 0 123 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.671 102.2 55.6 -70.7 -11.9 -13.2 -21.8 17.9 101 101 A K T < S+ 0 0 114 -3,-1.1 2,-0.4 -4,-0.5 -1,-0.3 0.538 94.9 85.6 -93.0 -8.1 -12.3 -21.3 21.5 102 102 A I < - 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