==== 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 21-MAY-01 1J8B . COMPND 2 MOLECULE: YBAB; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE RD; . AUTHOR K.LIM,A.TEMPCYZK,J.TOEDT,J.F.PARSONS,A.HOWARD,E.EISENSTEIN, . 92 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 83.7 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 . 14 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 6 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A L 0 0 185 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.8 43.2 -4.4 18.8 2 8 A G - 0 0 47 0, 0.0 4,-0.3 0, 0.0 2,-0.1 0.501 360.0 -68.5 160.2 7.0 42.1 -5.7 22.2 3 9 A G > - 0 0 43 1,-0.1 4,-2.2 2,-0.1 5,-0.1 -0.243 57.7 -77.8 104.1 163.5 38.9 -7.7 22.3 4 10 A L H > S+ 0 0 149 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.849 125.1 50.7 -67.8 -42.3 35.2 -6.7 21.8 5 11 A X H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 113.2 48.0 -65.2 -43.2 34.5 -5.1 25.2 6 12 A K H > S+ 0 0 112 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.939 112.6 47.7 -62.1 -50.2 37.6 -3.0 24.8 7 13 A Q H X S+ 0 0 78 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.880 113.3 49.1 -56.8 -38.1 36.6 -1.9 21.2 8 14 A A H X S+ 0 0 50 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.877 109.8 53.0 -67.0 -39.5 33.2 -1.1 22.5 9 15 A Q H X S+ 0 0 87 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.955 110.5 46.3 -54.9 -62.1 34.7 0.9 25.4 10 16 A Q H X S+ 0 0 82 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.860 106.2 56.9 -54.8 -43.2 36.7 2.9 23.1 11 17 A X H X S+ 0 0 107 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.924 109.4 48.8 -58.6 -40.3 33.9 3.6 20.7 12 18 A Q H X S+ 0 0 135 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.903 113.4 45.0 -63.7 -44.8 32.0 5.1 23.6 13 19 A E H X S+ 0 0 113 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.879 115.3 47.5 -67.6 -40.7 34.9 7.3 24.7 14 20 A K H X S+ 0 0 117 -4,-3.3 4,-2.4 2,-0.2 -2,-0.2 0.865 110.3 52.2 -70.3 -35.5 35.6 8.4 21.1 15 21 A X H X S+ 0 0 58 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.944 112.0 46.2 -62.8 -42.8 32.0 9.2 20.6 16 22 A Q H X S+ 0 0 113 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.938 110.6 53.3 -64.3 -46.5 32.0 11.3 23.8 17 23 A K H X S+ 0 0 106 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.892 108.9 48.9 -56.0 -41.9 35.2 13.0 22.7 18 24 A X H X S+ 0 0 47 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.879 109.0 53.3 -67.1 -39.2 33.7 13.9 19.3 19 25 A Q H X S+ 0 0 116 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.905 109.8 47.7 -61.0 -39.7 30.5 15.3 21.0 20 26 A E H < S+ 0 0 103 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.897 111.9 50.5 -68.0 -38.4 32.7 17.5 23.3 21 27 A E H >< S+ 0 0 105 -4,-2.1 3,-2.3 -5,-0.2 4,-0.5 0.957 110.2 48.9 -62.8 -52.6 34.7 18.7 20.2 22 28 A I H >< S+ 0 0 9 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.896 106.0 58.7 -51.8 -42.8 31.5 19.6 18.3 23 29 A A T 3< S+ 0 0 21 -4,-2.1 19,-1.7 1,-0.3 20,-0.8 0.525 94.1 67.3 -66.9 -8.5 30.3 21.4 21.4 24 30 A Q T < S+ 0 0 131 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.616 80.1 98.1 -85.9 -15.1 33.4 23.7 21.2 25 31 A L S < S- 0 0 81 -3,-1.6 17,-0.7 -4,-0.5 2,-0.3 -0.436 70.3-128.3 -72.1 154.2 32.3 25.4 18.0 26 32 A E E -A 41 0A 61 15,-0.2 2,-0.3 -2,-0.1 15,-0.2 -0.651 19.8-171.5-105.9 150.6 30.5 28.7 18.1 27 33 A V E -A 40 0A 20 13,-2.6 13,-2.1 -2,-0.3 2,-0.6 -0.952 16.8-140.8-130.6 154.8 27.3 30.0 16.6 28 34 A T E -A 39 0A 58 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.942 16.5-165.0-121.5 110.9 26.1 33.6 16.7 29 35 A G E -A 38 0A 0 9,-2.7 9,-3.0 -2,-0.6 2,-0.3 -0.495 10.5-169.9 -86.4 163.0 22.4 34.2 17.3 30 36 A E E -A 37 0A 63 7,-0.2 2,-0.3 39,-0.2 7,-0.2 -0.989 16.8-164.7-149.6 160.9 20.8 37.5 16.5 31 37 A S E >>>S+A 36 0A 10 5,-2.1 5,-1.8 -2,-0.3 4,-0.9 -0.955 72.5 31.7-138.0 159.3 17.6 39.5 17.0 32 38 A G G >45S- 0 0 35 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.910 129.1 -63.4 64.6 40.8 16.4 42.7 15.3 33 39 A A G 345S- 0 0 104 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.885 115.2 -32.3 47.1 42.9 18.1 41.9 12.0 34 40 A G G <45S+ 0 0 14 -3,-0.5 -1,-0.2 2,-0.4 -2,-0.2 0.436 102.8 125.9 96.7 3.5 21.5 42.1 13.7 35 41 A L T <<5S+ 0 0 56 -4,-0.9 17,-2.3 -3,-0.8 2,-0.4 0.870 87.0 21.8 -58.8 -38.3 20.6 44.8 16.3 36 42 A V E -A 26 0A 19 4,-1.6 3,-1.6 -2,-0.3 -15,-0.2 -0.408 44.3 -82.8-104.0-171.8 29.4 27.6 22.0 42 48 A G T 3 S+ 0 0 13 -19,-1.7 -18,-0.2 -17,-0.7 -19,-0.1 0.731 130.0 55.0 -63.3 -28.6 27.7 24.1 22.3 43 49 A A T 3 S- 0 0 78 -20,-0.8 -1,-0.3 -23,-0.1 -19,-0.1 0.357 120.4-114.0 -80.6 -4.7 27.9 24.1 26.1 44 50 A H < + 0 0 72 -3,-1.6 2,-0.5 1,-0.3 -2,-0.1 0.769 60.1 159.2 70.2 30.2 26.0 27.5 25.8 45 51 A N - 0 0 96 1,-0.0 -4,-1.6 2,-0.0 2,-0.6 -0.761 41.2-129.9 -84.1 128.9 28.9 29.5 27.2 46 52 A C E +B 40 0A 54 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.720 31.2 174.7 -85.3 117.0 28.4 33.2 26.0 47 53 A R E - 0 0 144 -8,-3.2 2,-0.3 -2,-0.6 -7,-0.2 0.847 60.4 -5.4 -92.8 -43.1 31.6 34.4 24.4 48 54 A R E -B 39 0A 124 -9,-1.1 -9,-3.1 2,-0.0 2,-0.4 -0.989 51.8-158.3-154.8 154.2 30.7 37.8 23.1 49 55 A I E -B 38 0A 87 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.998 6.2-162.0-134.5 134.8 27.8 40.1 22.8 50 56 A D E -B 37 0A 94 -13,-2.8 -13,-1.8 -2,-0.4 2,-0.5 -0.935 8.2-170.4-127.2 108.5 27.5 43.0 20.3 51 57 A I E -B 36 0A 56 -2,-0.5 -15,-0.2 -15,-0.2 -16,-0.1 -0.863 28.8-116.6 -99.5 126.0 24.8 45.6 21.0 52 58 A D > - 0 0 55 -17,-2.3 3,-2.2 -2,-0.5 4,-0.4 -0.436 22.6-127.6 -61.3 130.8 24.1 48.2 18.4 53 59 A P G > S+ 0 0 95 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.878 105.3 68.8 -49.5 -41.0 25.0 51.7 19.8 54 60 A S G > S+ 0 0 51 1,-0.3 3,-0.7 2,-0.2 4,-0.2 0.715 91.6 59.5 -50.8 -25.6 21.4 52.9 18.9 55 61 A L G X S+ 0 0 27 -3,-2.2 3,-0.7 1,-0.2 -1,-0.3 0.652 87.8 73.7 -81.2 -12.7 19.9 50.6 21.6 56 62 A X G < S+ 0 0 138 -3,-2.3 -1,-0.2 -4,-0.4 -2,-0.2 0.548 94.5 57.0 -76.5 -8.1 21.9 52.3 24.4 57 63 A E G < S+ 0 0 147 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.522 99.3 49.6-103.8 -15.1 19.5 55.3 24.1 58 64 A D S < S- 0 0 130 -3,-0.7 5,-0.1 1,-0.3 -3,-0.0 -0.437 101.3 -27.2-119.0-163.9 16.0 54.1 24.5 59 65 A D > - 0 0 96 1,-0.2 4,-1.2 -2,-0.1 3,-0.3 -0.053 47.8-143.8 -42.0 132.4 13.8 52.1 26.9 60 66 A K H > S+ 0 0 143 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.763 98.4 71.2 -73.3 -18.8 16.0 49.6 28.5 61 67 A E H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 96.7 48.6 -60.7 -42.1 12.9 47.3 28.2 62 68 A X H > S+ 0 0 102 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.907 110.8 49.8 -63.2 -44.4 13.4 47.0 24.4 63 69 A L H X S+ 0 0 26 -4,-1.2 4,-2.7 -8,-0.2 5,-0.2 0.938 110.6 50.3 -61.3 -42.9 17.2 46.2 24.8 64 70 A E H X S+ 0 0 89 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.905 110.6 49.9 -60.4 -42.0 16.4 43.5 27.3 65 71 A D H X S+ 0 0 80 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.919 112.3 46.8 -63.8 -44.6 13.8 42.1 25.0 66 72 A L H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.886 111.6 51.0 -66.5 -40.5 16.2 42.0 22.1 67 73 A I H X S+ 0 0 56 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.929 110.6 48.2 -62.5 -47.7 19.0 40.5 24.2 68 74 A A H X S+ 0 0 51 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.935 112.6 49.2 -60.7 -38.7 16.7 37.7 25.4 69 75 A A H X S+ 0 0 41 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.880 110.2 51.6 -66.1 -40.2 15.6 37.1 21.7 70 76 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -32,-0.2 0.882 109.7 48.9 -64.3 -41.0 19.3 37.0 20.5 71 77 A F H X S+ 0 0 76 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.933 111.1 49.3 -66.3 -45.1 20.2 34.4 23.2 72 78 A N H X S+ 0 0 80 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.897 111.2 50.4 -62.3 -38.0 17.2 32.2 22.3 73 79 A D H X S+ 0 0 33 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.930 110.8 49.1 -63.1 -45.1 18.2 32.4 18.6 74 80 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.926 109.8 52.2 -61.5 -44.3 21.8 31.4 19.5 75 81 A V H X S+ 0 0 25 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.913 110.1 47.3 -60.3 -42.1 20.6 28.5 21.5 76 82 A R H X S+ 0 0 144 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.904 114.0 48.2 -65.1 -40.5 18.4 27.2 18.6 77 83 A R H X S+ 0 0 114 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.875 110.5 51.3 -67.2 -37.4 21.3 27.6 16.2 78 84 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.916 111.2 48.3 -65.8 -41.9 23.7 25.8 18.6 79 85 A E H X S+ 0 0 107 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.951 111.0 49.7 -64.1 -43.8 21.2 22.9 18.9 80 86 A E H X S+ 0 0 118 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.892 109.9 52.0 -59.5 -42.7 20.8 22.7 15.2 81 87 A L H X S+ 0 0 29 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.936 106.1 53.3 -63.7 -43.8 24.6 22.7 14.8 82 88 A Q H X S+ 0 0 48 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.906 115.0 42.1 -55.8 -44.0 25.1 19.8 17.3 83 89 A K H X S+ 0 0 142 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.945 117.3 45.4 -69.3 -47.9 22.7 17.7 15.4 84 90 A E H X S+ 0 0 82 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.942 114.7 45.8 -63.7 -52.1 23.9 18.6 11.9 85 91 A K H X S+ 0 0 88 -4,-3.3 4,-2.8 2,-0.2 -1,-0.2 0.859 113.6 49.9 -63.0 -36.5 27.6 18.2 12.7 86 92 A X H X S+ 0 0 30 -4,-1.6 4,-3.1 -5,-0.4 -2,-0.2 0.978 111.0 48.4 -65.3 -53.4 27.1 14.8 14.4 87 93 A A H < S+ 0 0 67 -4,-2.5 5,-0.4 1,-0.2 -2,-0.2 0.878 114.6 48.5 -51.0 -39.5 25.0 13.5 11.6 88 94 A S H >< S+ 0 0 79 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.941 109.9 48.9 -68.6 -49.1 27.8 14.7 9.2 89 95 A V H 3< S+ 0 0 76 -4,-2.8 2,-2.2 1,-0.3 -2,-0.2 0.930 103.4 62.7 -58.0 -45.1 30.6 13.2 11.2 90 96 A T T 3< S- 0 0 73 -4,-3.1 2,-2.7 -5,-0.2 -1,-0.3 -0.269 79.7-168.4 -83.0 57.4 28.8 9.8 11.4 91 97 A A < 0 0 99 -2,-2.2 -3,-0.1 -3,-0.5 -1,-0.1 -0.143 360.0 360.0 -45.1 68.7 28.9 9.5 7.6 92 98 A G 0 0 122 -2,-2.7 -1,-0.2 -5,-0.4 -4,-0.1 0.111 360.0 360.0-177.9 360.0 26.5 6.6 7.6