==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-AUG-04 1U84 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR Y.KIM,M.ZHOU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 61.7 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+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 0 0 0 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 3 A G 0 0 91 0, 0.0 4,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-167.0 -9.8 1.4 6.1 2 4 A Q > + 0 0 117 2,-0.1 4,-2.7 1,-0.1 5,-0.2 0.339 360.0 97.4-105.3 3.4 -10.8 2.7 9.4 3 5 A Q H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.914 84.4 46.9 -55.4 -50.0 -8.8 0.0 11.2 4 6 A L H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.937 112.7 50.3 -58.7 -48.1 -5.8 2.4 11.8 5 7 A N H > S+ 0 0 19 1,-0.2 4,-2.9 -4,-0.2 -2,-0.2 0.909 107.7 51.9 -60.5 -40.9 -8.1 5.1 13.0 6 8 A R H X S+ 0 0 153 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.910 111.5 48.4 -61.1 -40.6 -9.9 2.9 15.5 7 9 A L H X S+ 0 0 63 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.934 111.3 49.2 -65.1 -46.5 -6.5 1.8 16.9 8 10 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.935 111.5 49.6 -56.3 -47.9 -5.3 5.4 17.2 9 11 A L H X S+ 0 0 62 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.897 109.9 51.7 -58.8 -43.3 -8.6 6.4 18.9 10 12 A E H X S+ 0 0 123 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.942 110.5 48.0 -56.8 -48.1 -8.1 3.4 21.4 11 13 A W H X S+ 0 0 102 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.881 111.8 49.5 -60.4 -40.2 -4.6 4.5 22.2 12 14 A I H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 3,-0.5 0.957 113.8 44.8 -69.0 -45.3 -5.6 8.1 22.8 13 15 A G H >< S+ 0 0 6 -4,-2.7 3,-1.3 1,-0.2 -2,-0.2 0.935 111.2 54.9 -60.0 -45.2 -8.5 7.1 25.1 14 16 A A H 3< S+ 0 0 65 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.754 87.4 77.9 -63.0 -25.6 -6.2 4.7 26.9 15 17 A W H 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.895 70.3 175.3 -47.6 -43.9 -3.7 7.5 27.6 16 18 A D X< - 0 0 44 -3,-1.3 3,-1.4 -4,-0.7 5,-0.1 0.842 8.4-177.9 39.4 61.1 -6.2 8.4 30.3 17 19 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.719 78.2 41.6 -64.4 -20.0 -4.1 11.3 31.9 18 20 A F T 3 S- 0 0 65 3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.259 110.3-112.1-115.0 11.9 -6.6 12.0 34.6 19 21 A G S < S+ 0 0 63 -3,-1.4 3,-0.1 1,-0.1 -3,-0.1 0.920 76.3 129.3 63.0 44.5 -7.6 8.5 35.7 20 22 A L S S- 0 0 96 1,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.471 73.0 -98.6-106.5 -5.9 -11.2 8.9 34.4 21 23 A G > - 0 0 32 1,-0.1 3,-1.7 -5,-0.1 -1,-0.2 0.075 37.5 -82.7 93.2 152.7 -11.3 5.7 32.3 22 24 A K G > S+ 0 0 137 1,-0.3 3,-0.7 2,-0.1 -1,-0.1 0.686 123.0 61.0 -62.7 -21.5 -10.8 5.2 28.5 23 25 A D G > S+ 0 0 127 1,-0.2 3,-0.6 -3,-0.1 -1,-0.3 0.485 84.2 77.0 -86.3 -4.2 -14.4 6.2 27.7 24 26 A A G < S+ 0 0 49 -3,-1.7 -1,-0.2 1,-0.2 3,-0.1 0.460 90.7 55.6 -83.4 -2.3 -14.2 9.7 29.2 25 27 A Y G <> + 0 0 0 -3,-0.7 4,-3.3 1,-0.1 5,-0.3 0.097 56.9 122.6-124.1 23.2 -12.2 11.2 26.2 26 28 A D H <> S+ 0 0 112 -3,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.872 82.2 47.4 -58.1 -37.6 -14.2 10.5 23.0 27 29 A V H > S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.956 116.1 43.3 -67.3 -48.7 -14.3 14.2 22.1 28 30 A E H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.891 111.6 54.6 -67.9 -39.3 -10.6 14.8 22.8 29 31 A A H X S+ 0 0 4 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.912 107.4 50.4 -59.5 -43.0 -9.6 11.6 21.0 30 32 A A H X S+ 0 0 54 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.895 111.6 49.0 -60.5 -40.5 -11.4 12.7 17.8 31 33 A S H X S+ 0 0 49 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.897 111.5 47.7 -67.3 -39.0 -9.7 16.0 18.0 32 34 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.921 108.4 56.0 -70.3 -38.5 -6.3 14.4 18.4 33 35 A L H X S+ 0 0 24 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.922 106.7 50.1 -57.8 -46.3 -7.0 12.1 15.5 34 36 A Q H >< S+ 0 0 116 -4,-2.2 3,-0.9 1,-0.2 4,-0.3 0.948 110.3 49.4 -54.7 -46.2 -7.7 15.1 13.3 35 37 A A H >< S+ 0 0 2 -4,-2.0 3,-1.5 1,-0.3 4,-0.5 0.805 101.4 64.5 -64.4 -37.6 -4.3 16.7 14.4 36 38 A V H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.3 -1,-0.3 0.852 102.8 48.7 -52.1 -38.5 -2.5 13.3 13.6 37 39 A Y T << S+ 0 0 114 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.478 104.1 62.3 -82.9 0.9 -3.5 13.8 10.0 38 40 A E T < S+ 0 0 120 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.498 109.6 21.0-104.4 -4.8 -2.2 17.4 9.9 39 41 A T < - 0 0 24 -3,-0.6 -1,-0.1 -4,-0.5 3,-0.0 -0.958 43.1-154.7-151.6 164.7 1.5 16.7 10.7 40 42 A E S S+ 0 0 124 -2,-0.3 2,-0.5 -3,-0.1 -4,-0.1 0.229 73.9 99.7-117.4 6.6 4.3 14.2 10.8 41 43 A D > - 0 0 70 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.845 61.5-153.7-105.9 120.5 6.1 16.1 13.6 42 44 A A H > S+ 0 0 18 -2,-0.5 4,-3.0 1,-0.2 5,-0.2 0.870 96.7 53.1 -59.1 -41.8 5.9 14.9 17.2 43 45 A R H > S+ 0 0 178 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 110.9 46.2 -58.5 -45.6 6.5 18.4 18.6 44 46 A T H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.936 116.0 45.2 -61.6 -48.4 3.7 19.9 16.5 45 47 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.893 109.5 55.4 -64.1 -41.5 1.3 17.1 17.4 46 48 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.885 106.1 51.5 -60.3 -40.4 2.3 17.3 21.1 47 49 A A H X S+ 0 0 41 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.909 110.1 49.1 -66.0 -36.9 1.4 21.0 21.2 48 50 A R H X S+ 0 0 105 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.937 110.9 50.3 -63.9 -46.8 -2.0 20.2 19.7 49 51 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.932 110.0 50.7 -53.8 -47.9 -2.6 17.4 22.3 50 52 A Q H X S+ 0 0 48 -4,-2.7 4,-2.6 1,-0.2 11,-0.3 0.942 112.7 45.1 -60.2 -46.5 -1.6 19.8 25.1 51 53 A S H X S+ 0 0 61 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.901 111.5 52.6 -63.3 -43.9 -4.1 22.5 23.8 52 54 A I H X S+ 0 0 16 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.921 115.7 40.1 -56.1 -47.8 -6.9 20.0 23.3 53 55 A Y H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 6,-0.3 0.844 112.0 55.4 -79.7 -30.8 -6.6 18.6 26.8 54 56 A E H X S+ 0 0 89 -4,-2.6 4,-2.0 -5,-0.3 5,-0.3 0.910 110.9 46.1 -65.6 -41.1 -6.0 22.0 28.4 55 57 A F H < S+ 0 0 177 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.937 115.8 47.1 -60.6 -46.0 -9.3 23.3 26.9 56 58 A A H < S+ 0 0 32 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.813 128.9 19.1 -66.9 -36.9 -11.1 20.1 28.0 57 59 A F H < S- 0 0 54 -4,-2.1 -1,-0.2 2,-0.3 -2,-0.2 0.440 91.8-122.5-121.1 -2.5 -9.9 19.9 31.6 58 60 A D S < S+ 0 0 142 -4,-2.0 -4,-0.1 -5,-0.2 -3,-0.1 0.926 82.5 102.8 55.2 45.9 -8.7 23.4 32.5 59 61 A E S S- 0 0 96 -5,-0.3 2,-0.6 -6,-0.3 -2,-0.3 -0.918 71.3-129.9-157.0 126.3 -5.3 21.8 33.3 60 62 A P - 0 0 86 0, 0.0 -9,-0.1 0, 0.0 -10,-0.1 -0.750 19.5-143.4 -85.2 118.7 -2.1 21.8 31.3 61 63 A I - 0 0 6 -2,-0.6 5,-0.1 -11,-0.3 -7,-0.1 -0.656 39.2 -93.0 -74.7 133.8 -0.6 18.4 30.9 62 64 A P >> - 0 0 86 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.232 33.3-123.6 -48.3 133.0 3.2 18.6 31.0 63 65 A F H 3> S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 108.5 55.8 -48.0 -49.3 4.5 19.0 27.5 64 66 A P H 3> S+ 0 0 88 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.840 105.5 52.7 -61.2 -29.3 6.9 15.9 27.7 65 67 A H H <> S+ 0 0 87 -3,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.934 111.4 46.6 -64.8 -48.9 3.9 13.7 28.7 66 68 A C H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.885 109.4 56.4 -53.7 -43.3 2.1 15.0 25.5 67 69 A L H X S+ 0 0 26 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.880 102.8 52.4 -64.0 -39.8 5.3 14.4 23.5 68 70 A K H X S+ 0 0 127 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.937 112.3 46.6 -60.0 -45.0 5.5 10.7 24.4 69 71 A L H X S+ 0 0 12 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.949 111.1 51.0 -61.7 -48.6 1.9 10.2 23.3 70 72 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.901 110.2 50.2 -55.7 -45.0 2.5 12.2 20.0 71 73 A R H X S+ 0 0 124 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.924 110.6 49.6 -58.9 -42.2 5.6 10.0 19.3 72 74 A R H X S+ 0 0 108 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 112.0 47.8 -64.3 -41.7 3.6 6.8 19.9 73 75 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.909 112.9 46.8 -67.6 -42.5 0.7 7.9 17.6 74 76 A L H X S+ 0 0 6 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.848 107.3 58.6 -70.6 -31.4 3.0 9.0 14.8 75 77 A E H X S+ 0 0 107 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.936 110.2 43.6 -59.1 -44.6 5.0 5.7 15.1 76 78 A L H X S+ 0 0 25 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.927 113.0 50.7 -65.3 -47.0 1.7 3.9 14.4 77 79 A K H X S+ 0 0 16 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.918 114.7 44.6 -54.6 -44.8 0.7 6.2 11.6 78 80 A Q H >< S+ 0 0 101 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.910 108.3 56.3 -69.7 -40.5 4.1 5.7 10.0 79 81 A A H 3< S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 113.6 42.6 -61.2 -27.5 4.1 1.9 10.5 80 82 A A H 3< 0 0 63 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.448 360.0 360.0 -96.9 -6.5 0.8 1.8 8.6 81 83 A S << 0 0 137 -3,-1.1 -1,-0.2 -4,-0.6 0, 0.0 -0.938 360.0 360.0-140.0 360.0 1.8 4.3 5.8