==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-DEC-03 1S04 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PF0455; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR G.LIU,R.XIAO,D.K.SUKUMARAN,T.ACTON,G.T.MONTELIONE, . 110 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 8 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.5 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 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 196 0, 0.0 38,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 88.6 -16.1 2.1 10.9 2 2 A E - 0 0 101 36,-0.1 2,-0.4 38,-0.0 38,-0.2 -0.997 360.0-148.7-139.6 141.8 -15.5 0.3 7.6 3 3 A W E -a 40 0A 58 36,-2.5 38,-3.6 -2,-0.4 2,-0.4 -0.886 12.9-166.7-111.5 141.4 -13.5 1.2 4.5 4 4 A E E +a 41 0A 148 -2,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.988 17.2 147.8-131.0 138.6 -14.4 0.1 1.0 5 5 A M E -a 42 0A 57 36,-3.1 38,-2.4 -2,-0.4 39,-0.7 -0.847 27.5-135.2-151.2-175.1 -12.4 0.1 -2.2 6 6 A G + 0 0 43 36,-0.3 2,-0.3 -2,-0.3 36,-0.0 -0.991 23.2 154.9-154.1 147.4 -11.7 -1.6 -5.5 7 7 A L - 0 0 30 -2,-0.3 5,-0.1 0, 0.0 -2,-0.0 -0.968 50.4 -66.1-167.1 158.5 -8.8 -2.7 -7.6 8 8 A Q >> - 0 0 144 -2,-0.3 4,-1.6 1,-0.1 3,-0.7 -0.136 46.1-119.4 -50.5 144.3 -7.8 -5.2 -10.3 9 9 A E H 3> S+ 0 0 116 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.883 116.6 56.6 -53.4 -42.4 -7.7 -8.8 -9.1 10 10 A E H 3> S+ 0 0 150 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.849 107.2 49.0 -58.2 -36.2 -4.1 -8.9 -9.9 11 11 A F H <> S+ 0 0 54 -3,-0.7 4,-1.1 2,-0.2 -1,-0.3 0.766 105.2 59.2 -74.2 -27.1 -3.6 -6.0 -7.6 12 12 A L H >X S+ 0 0 3 -4,-1.6 4,-1.2 -3,-0.3 3,-0.8 0.943 101.2 52.6 -65.9 -49.6 -5.6 -7.7 -4.9 13 13 A E H 3X S+ 0 0 83 -4,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.830 101.2 63.7 -54.7 -34.2 -3.2 -10.7 -4.7 14 14 A L H >X S+ 0 0 34 -4,-0.9 4,-1.3 1,-0.3 3,-0.7 0.910 98.0 53.7 -56.4 -45.2 -0.5 -8.1 -4.3 15 15 A I H << S+ 0 0 3 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.864 104.8 55.0 -57.3 -37.6 -2.0 -7.1 -1.0 16 16 A K H >< S+ 0 0 66 -4,-1.2 3,-0.6 1,-0.3 -1,-0.3 0.797 109.3 47.1 -65.5 -29.0 -1.9 -10.8 0.0 17 17 A L H X< S+ 0 0 83 -4,-1.3 3,-0.9 -3,-0.7 -1,-0.3 0.655 102.9 63.4 -84.5 -18.5 1.8 -10.7 -0.7 18 18 A R T 3< S+ 0 0 8 -4,-1.3 3,-0.3 1,-0.2 87,-0.2 0.408 77.1 88.9 -84.3 1.1 2.1 -7.5 1.3 19 19 A K T < S+ 0 0 106 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.590 103.0 28.5 -72.8 -10.5 1.0 -9.4 4.3 20 20 A K S < S+ 0 0 186 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.219 133.6 32.9-130.1 6.7 4.7 -10.1 4.8 21 21 A K S S- 0 0 67 -3,-0.3 2,-0.3 84,-0.2 51,-0.2 0.196 92.9 -94.3-125.7-114.1 6.0 -7.0 3.1 22 22 A I - 0 0 8 49,-0.4 2,-0.4 48,-0.1 82,-0.1 -0.962 14.7-129.8-167.0 172.7 4.5 -3.5 3.1 23 23 A E - 0 0 21 -2,-0.3 80,-1.4 80,-0.1 49,-0.1 -0.931 19.3-159.1-143.3 114.7 2.3 -1.2 1.1 24 24 A G + 0 0 2 -2,-0.4 78,-0.2 78,-0.3 2,-0.1 -0.290 20.9 153.2 -85.1 173.0 3.1 2.4 0.2 25 25 A R - 0 0 55 -2,-0.1 76,-0.2 2,-0.0 3,-0.2 -0.198 49.1-103.0 158.5 104.6 0.8 5.2 -0.8 26 26 A L - 0 0 5 74,-0.2 74,-0.2 1,-0.1 5,-0.1 -0.047 53.7 -95.1 -39.3 133.7 1.3 9.0 -0.4 27 27 A Y + 0 0 47 68,-0.1 2,-0.2 4,-0.1 72,-0.2 -0.341 55.8 174.4 -59.0 129.3 -0.8 10.1 2.6 28 28 A D > - 0 0 47 -3,-0.2 4,-2.6 -2,-0.1 5,-0.1 -0.623 46.2 -92.5-126.0-175.2 -4.2 11.4 1.4 29 29 A E H > S+ 0 0 138 2,-0.2 4,-1.4 -2,-0.2 5,-0.2 0.948 126.5 44.6 -65.8 -51.2 -7.4 12.6 3.0 30 30 A K H > S+ 0 0 108 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.880 114.9 50.8 -60.2 -39.5 -9.1 9.2 2.9 31 31 A R H 4 S+ 0 0 20 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.909 101.5 60.6 -64.4 -44.2 -5.8 7.8 4.2 32 32 A R H < S+ 0 0 135 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 107.5 46.4 -51.0 -38.1 -5.7 10.3 7.0 33 33 A Q H < S+ 0 0 135 -4,-1.4 2,-0.4 -3,-0.2 -1,-0.3 0.783 94.1 93.7 -75.0 -29.0 -9.0 8.9 8.2 34 34 A I < + 0 0 11 -4,-1.2 4,-0.0 -3,-0.5 -3,-0.0 -0.533 58.2 174.4 -69.6 121.9 -7.6 5.4 7.8 35 35 A K - 0 0 123 -2,-0.4 2,-1.8 16,-0.1 16,-0.3 -0.867 44.5 -91.6-128.2 161.5 -6.2 4.2 11.2 36 36 A P S S+ 0 0 59 0, 0.0 16,-0.1 0, 0.0 18,-0.1 -0.544 106.6 66.0 -75.0 84.8 -4.8 1.0 12.5 37 37 A G S S+ 0 0 43 -2,-1.8 2,-0.3 16,-0.1 15,-0.1 0.208 87.1 57.1 165.0 49.4 -8.0 -0.5 13.9 38 38 A D S S- 0 0 25 13,-0.4 2,-0.3 -3,-0.1 13,-0.1 -0.874 70.7-101.6-164.9-166.4 -10.5 -1.3 11.1 39 39 A V - 0 0 38 -38,-0.5 -36,-2.5 -2,-0.3 2,-0.5 -0.984 14.8-148.4-139.0 148.1 -11.0 -3.3 7.9 40 40 A I E -aB 3 49A 5 9,-4.1 9,-1.7 -2,-0.3 2,-0.5 -0.962 12.2-154.2-122.1 113.8 -10.9 -2.3 4.3 41 41 A S E -aB 4 48A 8 -38,-3.6 -36,-3.1 -2,-0.5 2,-0.4 -0.753 10.7-155.7 -89.9 127.6 -13.2 -4.3 1.9 42 42 A F E >>>S-aB 5 47A 13 5,-1.7 4,-2.7 -2,-0.5 5,-1.0 -0.831 71.4 -4.7-105.9 141.9 -12.1 -4.4 -1.7 43 43 A E T 345S- 0 0 115 -38,-2.4 2,-1.2 -2,-0.4 -1,-0.2 0.852 132.3 -57.1 46.2 40.5 -14.3 -5.0 -4.7 44 44 A G T 345S- 0 0 66 -39,-0.7 -1,-0.3 -3,-0.4 -3,-0.1 -0.485 120.6 -23.4 93.3 -62.6 -17.1 -5.5 -2.1 45 45 A G T <45S+ 0 0 36 -2,-1.2 3,-0.2 -3,-0.5 -2,-0.2 0.123 101.1 113.7-171.3 29.5 -15.4 -8.3 -0.2 46 46 A K T <5S+ 0 0 96 -4,-2.7 2,-0.4 1,-0.3 -3,-0.2 0.877 91.5 20.6 -76.1 -40.5 -13.0 -9.9 -2.6 47 47 A L E - 0 0 32 40,-0.1 4,-1.8 1,-0.1 -1,-0.3 -0.940 67.1 -77.4-165.8-178.6 9.8 9.7 0.0 60 60 A F H > S+ 0 0 11 -2,-0.3 4,-4.2 1,-0.2 5,-0.4 0.867 124.2 58.9 -60.6 -38.7 9.4 6.5 -1.9 61 61 A R H > S+ 0 0 108 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.943 109.6 41.4 -55.5 -52.9 13.1 6.1 -2.2 62 62 A E H >>S+ 0 0 75 2,-0.2 4,-2.6 3,-0.2 5,-0.5 0.795 117.5 51.2 -65.4 -29.2 13.6 6.1 1.5 63 63 A M H X>S+ 0 0 0 -4,-1.8 5,-1.8 3,-0.2 4,-1.5 0.935 116.7 36.3 -72.9 -49.7 10.6 3.9 1.8 64 64 A L H <>S+ 0 0 4 -4,-4.2 5,-1.0 3,-0.3 7,-0.2 0.819 123.5 46.3 -72.0 -32.2 11.7 1.3 -0.8 65 65 A E H <5S+ 0 0 120 -4,-3.0 -2,-0.2 -5,-0.4 -3,-0.2 0.899 128.5 25.1 -75.5 -43.7 15.3 1.7 0.4 66 66 A K H <5S+ 0 0 162 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.956 137.7 28.6 -83.0 -64.5 14.3 1.6 4.1 67 67 A E T <>< S- 0 0 25 -4,-3.9 3,-1.1 -5,-0.2 2,-0.6 -0.869 73.5-156.2-117.6 95.6 6.0 -3.0 -4.8 74 74 A P T 3 S+ 0 0 27 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.610 82.5 21.0 -75.0 114.9 6.1 -6.7 -5.7 75 75 A G T 3 S+ 0 0 66 -2,-0.6 -5,-0.1 1,-0.3 -2,-0.0 -0.012 84.5 147.5 118.2 -26.0 7.2 -7.1 -9.3 76 76 A V < - 0 0 23 -3,-1.1 -1,-0.3 -7,-0.2 3,-0.1 0.032 46.6-141.2 -39.4 148.7 8.9 -3.7 -9.6 77 77 A K S S- 0 0 158 1,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.812 74.0 -23.5 -85.4 -35.1 11.9 -3.7 -11.9 78 78 A S > - 0 0 68 1,-0.1 4,-2.8 -9,-0.1 -1,-0.4 -0.972 67.5 -92.5-167.4 167.8 13.9 -1.4 -9.8 79 79 A I H > S+ 0 0 51 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.902 127.3 49.4 -55.3 -44.1 13.7 1.3 -7.1 80 80 A E H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.899 110.8 49.4 -62.0 -42.9 13.7 3.9 -9.9 81 81 A E H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.872 108.1 55.0 -63.8 -38.8 11.0 2.0 -11.7 82 82 A G H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-0.5 0.932 105.3 50.7 -59.7 -49.5 9.0 1.8 -8.5 83 83 A I H X S+ 0 0 32 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.890 106.2 56.9 -55.5 -41.9 9.1 5.6 -8.0 84 84 A Q H X S+ 0 0 64 -4,-1.8 4,-2.8 1,-0.2 -1,-0.3 0.863 104.1 52.9 -57.4 -38.3 7.9 6.0 -11.6 85 85 A V H X S+ 0 0 42 -4,-1.5 4,-1.6 -3,-0.5 -1,-0.2 0.892 112.7 43.5 -64.2 -41.1 4.9 3.9 -10.7 86 86 A Y H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.744 113.3 53.5 -75.1 -25.2 4.1 6.2 -7.8 87 87 A R H < S+ 0 0 136 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 109.6 45.8 -75.1 -43.8 4.8 9.2 -10.0 88 88 A R H < S+ 0 0 190 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.865 126.7 31.7 -66.4 -37.7 2.4 8.1 -12.7 89 89 A F H < S+ 0 0 121 -4,-1.6 2,-0.4 -5,-0.2 -2,-0.2 0.935 124.0 43.6 -83.8 -55.2 -0.2 7.3 -10.1 90 90 A Y S < S- 0 0 22 -4,-2.7 -1,-0.2 -5,-0.2 2,-0.0 -0.789 88.6-118.2 -97.8 136.3 0.6 9.9 -7.4 91 91 A D > - 0 0 106 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.307 12.9-132.8 -68.1 153.5 1.4 13.5 -8.3 92 92 A E H > S+ 0 0 77 2,-0.2 4,-3.2 3,-0.2 5,-0.2 0.843 105.4 53.4 -75.1 -35.8 4.9 14.8 -7.4 93 93 A E H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.963 110.6 44.4 -62.7 -55.1 3.4 18.0 -5.9 94 94 A K H >>S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 5,-0.5 0.910 115.8 49.6 -55.6 -45.4 1.1 16.1 -3.6 95 95 A E H <5S+ 0 0 15 -4,-1.6 4,-0.4 1,-0.3 -2,-0.2 0.944 112.8 44.7 -58.9 -51.4 3.9 13.8 -2.7 96 96 A K H <5S+ 0 0 156 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.713 109.0 63.3 -65.5 -20.3 6.3 16.6 -2.0 97 97 A K H <5S- 0 0 133 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.983 132.4 -6.7 -67.0 -60.0 3.4 18.2 -0.1 98 98 A Y T <5S- 0 0 100 -4,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.842 93.5-141.2-101.5 -55.5 3.2 15.5 2.5 99 99 A G < - 0 0 4 -5,-0.5 2,-0.3 -4,-0.4 -1,-0.2 -0.992 40.2 -36.3 133.1-126.5 5.6 12.8 1.5 100 100 A V B -D 57 0C 0 -43,-1.1 -43,-3.3 -2,-0.4 2,-0.4 -0.993 39.2-166.2-141.3 145.3 5.0 9.1 1.8 101 101 A V - 0 0 2 -2,-0.3 2,-1.2 -45,-0.3 -45,-0.3 -0.925 16.7-144.2-137.2 108.9 3.3 6.9 4.3 102 102 A A - 0 0 1 -2,-0.4 2,-0.9 -78,-0.2 -47,-0.3 -0.605 18.8-159.7 -74.8 98.5 3.9 3.1 4.3 103 103 A I - 0 0 3 -80,-1.4 2,-0.6 -2,-1.2 -49,-0.2 -0.735 10.5-141.4 -85.2 108.0 0.5 1.8 5.3 104 104 A E E -C 53 0B 54 -51,-1.6 -52,-2.0 -2,-0.9 -51,-0.8 -0.595 25.0-174.8 -73.5 114.2 1.0 -1.7 6.6 105 105 A I E -C 51 0B 5 -2,-0.6 -84,-0.2 -87,-0.2 -54,-0.2 -0.845 12.3-171.0-112.5 148.9 -1.9 -3.8 5.5 106 106 A E E -C 50 0B 47 -56,-0.5 -56,-1.5 -2,-0.3 2,-0.5 -0.883 15.7-144.3-144.6 107.8 -2.7 -7.4 6.3 107 107 A P > - 0 0 3 0, 0.0 3,-0.5 0, 0.0 2,-0.4 -0.603 8.4-167.1 -75.0 118.4 -5.5 -9.3 4.6 108 108 A L T 3 + 0 0 89 -2,-0.5 -59,-0.1 -60,-0.4 -92,-0.0 -0.368 65.5 93.4-100.7 51.1 -7.1 -11.7 7.1 109 109 A E T 3 0 0 90 1,-0.4 -1,-0.2 -2,-0.4 -60,-0.1 0.633 360.0 360.0-111.1 -26.8 -9.0 -13.6 4.4 110 110 A Y < 0 0 232 -3,-0.5 -1,-0.4 -94,-0.0 0, 0.0 -0.968 360.0 360.0-177.9 360.0 -6.5 -16.4 3.9