==== 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 OXYGEN STORAGE/TRANSPORT 27-SEP-02 1MWB . COMPND 2 MOLECULE: CYANOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR C.J.FALZONE,B.C.VU,N.L.SCOTT,J.T.LECOMTE . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 78.9 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.3 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 1 1 0 0 0 1 1 0 0 1 1 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 2 A S > 0 0 108 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 85.9 17.6 -2.1 14.8 2 3 A T G >> + 0 0 108 1,-0.2 3,-1.6 2,-0.2 4,-0.5 0.624 360.0 86.6 -70.2 -12.3 18.9 -5.4 13.3 3 4 A L G >4 S+ 0 0 127 1,-0.3 3,-1.2 2,-0.2 4,-0.5 0.866 82.6 57.4 -55.8 -37.2 15.3 -6.0 12.1 4 5 A Y G X>>S+ 0 0 104 -3,-1.1 5,-1.6 1,-0.3 4,-1.2 0.727 85.8 81.3 -66.7 -20.8 16.2 -3.9 9.0 5 6 A E G X45S+ 0 0 145 -3,-1.6 3,-0.6 1,-0.3 -1,-0.3 0.863 85.4 59.0 -53.0 -36.4 19.0 -6.4 8.3 6 7 A K G <<5S+ 0 0 190 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.879 100.8 54.2 -60.8 -38.2 16.3 -8.7 6.8 7 8 A L G <45S- 0 0 85 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.779 123.4-107.8 -66.5 -26.4 15.5 -6.0 4.3 8 9 A G T <<5S- 0 0 62 -4,-1.2 -3,-0.2 -3,-0.6 2,-0.1 0.578 79.8 -26.5 106.2 17.4 19.2 -5.9 3.3 9 10 A G >< - 0 0 23 -5,-1.6 4,-0.8 1,-0.1 -7,-0.0 -0.416 65.3 -98.0 125.4 159.1 19.9 -2.6 4.9 10 11 A T H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.808 114.9 65.4 -78.7 -31.8 18.2 0.7 5.9 11 12 A T H > S+ 0 0 95 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 102.4 48.0 -57.1 -43.6 19.3 2.5 2.7 12 13 A A H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.831 105.4 60.4 -66.9 -33.1 17.3 0.1 0.6 13 14 A V H X S+ 0 0 42 -4,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.934 107.7 42.6 -61.2 -47.5 14.2 0.6 2.8 14 15 A D H X S+ 0 0 77 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.846 107.8 62.0 -67.7 -33.6 14.1 4.3 2.2 15 16 A L H X S+ 0 0 80 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.893 103.7 49.0 -59.2 -41.0 14.7 3.8 -1.5 16 17 A A H X S+ 0 0 8 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.910 112.2 47.5 -66.0 -43.2 11.5 1.8 -1.9 17 18 A V H X S+ 0 0 28 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.913 112.5 49.2 -64.9 -43.9 9.5 4.4 -0.1 18 19 A D H X S+ 0 0 91 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.948 117.4 39.7 -61.3 -50.1 10.9 7.2 -2.2 19 20 A K H X S+ 0 0 70 -4,-2.3 4,-1.7 -5,-0.2 3,-0.2 0.931 116.1 50.8 -65.4 -46.1 10.3 5.5 -5.5 20 21 A F H X S+ 0 0 3 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.878 104.8 59.2 -58.9 -39.0 6.9 4.1 -4.4 21 22 A Y H X S+ 0 0 61 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.909 106.1 46.8 -56.4 -45.8 5.9 7.6 -3.3 22 23 A E H X S+ 0 0 112 -4,-1.4 4,-3.4 -3,-0.2 -1,-0.2 0.850 103.9 62.7 -66.9 -35.0 6.4 8.9 -6.8 23 24 A R H X S+ 0 0 24 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.882 101.7 52.0 -58.7 -38.6 4.5 6.0 -8.4 24 25 A V H < S+ 0 0 4 -4,-1.5 6,-0.3 -3,-0.3 -1,-0.2 0.946 114.9 40.4 -63.7 -48.0 1.4 7.1 -6.5 25 26 A L H < S+ 0 0 36 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.4 57.1 -67.3 -37.2 1.6 10.6 -7.8 26 27 A Q H < S+ 0 0 166 -4,-3.4 2,-0.9 -5,-0.1 -1,-0.2 0.842 90.0 83.7 -61.8 -34.6 2.7 9.3 -11.2 27 28 A D >X - 0 0 25 -4,-1.9 4,-1.3 -5,-0.2 3,-0.8 -0.622 61.5-169.7 -76.9 104.8 -0.5 7.3 -11.4 28 29 A D H 3> S+ 0 0 120 -2,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.803 80.1 71.6 -62.3 -31.5 -3.2 9.7 -12.7 29 30 A R H 34 S+ 0 0 179 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.865 118.0 17.5 -54.3 -40.1 -5.9 7.1 -11.8 30 31 A I H X> S+ 0 0 5 -3,-0.8 3,-1.1 -6,-0.3 4,-1.0 0.410 100.8 95.4-112.2 -2.5 -5.4 7.8 -8.1 31 32 A K H >X S+ 0 0 92 -4,-1.3 4,-0.6 1,-0.3 3,-0.6 0.852 75.1 67.1 -57.3 -35.4 -3.6 11.1 -8.3 32 33 A H H >< S+ 0 0 81 -4,-0.8 3,-0.8 1,-0.3 4,-0.4 0.874 96.9 54.4 -54.7 -36.4 -6.9 12.9 -7.8 33 34 A F H <4 S+ 0 0 40 -3,-1.1 3,-0.4 1,-0.3 -1,-0.3 0.880 116.7 36.5 -63.6 -38.2 -7.0 11.5 -4.3 34 35 A F H X< S+ 0 0 48 -4,-1.0 3,-0.6 -3,-0.6 -1,-0.3 0.283 86.8 104.2 -96.6 8.3 -3.5 13.0 -3.6 35 36 A A T << S+ 0 0 59 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.882 98.1 18.4 -57.1 -37.5 -4.2 16.1 -5.7 36 37 A D T 3 S+ 0 0 151 -4,-0.4 2,-0.3 -3,-0.4 -1,-0.3 -0.739 93.6 120.0-138.6 87.7 -4.7 18.0 -2.4 37 38 A V < - 0 0 68 -3,-0.6 2,-0.3 -2,-0.3 -3,-0.0 -0.993 65.3-102.1-150.1 141.3 -3.1 16.3 0.6 38 39 A D > - 0 0 73 -2,-0.3 4,-1.5 1,-0.2 3,-0.5 -0.464 25.1-143.3 -65.9 124.3 -0.4 17.2 3.1 39 40 A M H > S+ 0 0 142 -2,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.796 95.4 69.2 -58.1 -30.2 2.8 15.3 2.2 40 41 A A H > S+ 0 0 71 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.951 103.0 40.7 -54.9 -53.4 3.5 14.8 5.9 41 42 A K H > S+ 0 0 142 -3,-0.5 4,-2.6 1,-0.2 3,-0.5 0.860 108.7 62.5 -63.8 -36.0 0.6 12.4 6.4 42 43 A Q H X S+ 0 0 11 -4,-1.5 4,-3.3 1,-0.2 5,-0.4 0.869 94.7 61.4 -58.0 -37.6 1.4 10.7 3.1 43 44 A R H X S+ 0 0 167 -4,-1.8 4,-1.5 -3,-0.4 -1,-0.2 0.908 111.5 38.4 -56.1 -42.8 4.8 9.7 4.4 44 45 A A H X S+ 0 0 64 -4,-0.9 4,-2.6 -3,-0.5 -2,-0.2 0.888 116.1 52.0 -74.9 -41.4 3.1 7.7 7.1 45 46 A H H X S+ 0 0 105 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.949 114.0 42.0 -60.6 -51.1 0.3 6.4 4.8 46 47 A Q H X S+ 0 0 11 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.895 114.3 52.7 -63.8 -40.4 2.7 5.2 2.1 47 48 A K H X S+ 0 0 121 -4,-1.5 4,-2.1 -5,-0.4 -1,-0.2 0.902 108.7 49.9 -62.0 -41.7 5.0 3.7 4.8 48 49 A A H X S+ 0 0 56 -4,-2.6 4,-3.3 1,-0.2 -1,-0.2 0.859 105.4 58.3 -65.5 -36.1 2.2 1.8 6.4 49 50 A F H X S+ 0 0 37 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.942 109.0 43.0 -59.5 -49.5 1.1 0.4 3.0 50 51 A L H X S+ 0 0 28 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.922 116.9 47.4 -63.4 -44.1 4.5 -1.2 2.4 51 52 A T H X S+ 0 0 84 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.902 110.8 52.0 -63.7 -41.6 4.7 -2.5 6.0 52 53 A Y H < S+ 0 0 78 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.0 50.2 -62.5 -40.5 1.1 -3.8 5.8 53 54 A A H < S+ 0 0 5 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.903 108.7 51.1 -65.4 -42.2 1.8 -5.7 2.6 54 55 A F H < S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.764 138.3 0.9 -66.8 -24.7 5.0 -7.3 4.1 55 56 A G S < S+ 0 0 51 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.386 80.7 170.0-166.0 78.7 2.9 -8.4 7.1 56 57 A G - 0 0 21 -3,-0.4 2,-0.4 1,-0.1 3,-0.1 -0.163 33.6-107.3 -83.2-177.9 -0.8 -7.5 7.2 57 58 A T - 0 0 72 1,-0.1 3,-0.1 54,-0.0 -1,-0.1 -0.942 7.6-141.4-117.8 135.8 -3.5 -8.8 9.6 58 59 A D S S+ 0 0 120 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.896 93.4 18.1 -58.5 -41.4 -6.2 -11.3 8.9 59 60 A K - 0 0 169 -3,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.998 67.4-173.9-136.7 135.4 -8.6 -9.3 11.0 60 61 A Y - 0 0 133 -2,-0.4 2,-0.5 -3,-0.1 -3,-0.0 -0.990 16.1-143.2-132.3 127.0 -8.5 -5.7 12.3 61 62 A D + 0 0 146 -2,-0.4 -2,-0.0 4,-0.0 3,-0.0 -0.749 54.3 103.3 -90.3 129.1 -10.9 -4.1 14.7 62 63 A G >> - 0 0 33 -2,-0.5 3,-1.3 2,-0.0 4,-0.9 0.013 40.4-167.0 157.2 88.1 -11.8 -0.4 14.0 63 64 A R H 3> S+ 0 0 206 1,-0.3 4,-2.8 2,-0.2 3,-0.3 0.837 90.2 71.1 -56.1 -32.9 -15.0 0.8 12.5 64 65 A Y H 3> S+ 0 0 179 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.867 92.7 55.0 -52.0 -41.3 -13.2 4.2 12.1 65 66 A M H <> S+ 0 0 65 -3,-1.3 4,-2.1 1,-0.2 5,-0.3 0.919 112.2 42.5 -61.1 -43.1 -11.0 2.7 9.4 66 67 A R H X S+ 0 0 89 -4,-0.9 4,-3.0 -3,-0.3 5,-0.4 0.874 108.1 60.5 -70.1 -38.1 -14.0 1.6 7.4 67 68 A E H X S+ 0 0 105 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.881 113.0 37.2 -57.1 -40.8 -15.8 4.9 8.1 68 69 A A H X S+ 0 0 34 -4,-1.9 4,-1.2 -5,-0.2 3,-0.3 0.973 121.6 40.9 -76.4 -59.6 -13.1 6.9 6.3 69 70 A H H X S+ 0 0 48 -4,-2.1 4,-1.2 1,-0.2 3,-0.5 0.884 114.6 53.3 -58.3 -40.4 -12.2 4.5 3.5 70 71 A K H X S+ 0 0 77 -4,-3.0 4,-1.6 -5,-0.3 5,-0.3 0.868 100.1 62.4 -64.4 -33.8 -15.8 3.7 2.8 71 72 A E H X S+ 0 0 104 -4,-0.9 4,-2.5 -5,-0.4 5,-0.4 0.879 102.6 51.2 -57.4 -36.5 -16.6 7.4 2.5 72 73 A L H X>S+ 0 0 50 -4,-1.2 4,-1.9 -3,-0.5 5,-1.0 0.839 103.2 59.6 -68.2 -35.1 -14.3 7.4 -0.4 73 74 A V H <5S+ 0 0 44 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.880 116.4 30.7 -62.4 -41.2 -16.1 4.5 -2.0 74 75 A E H <5S+ 0 0 121 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.862 128.2 38.8 -86.4 -40.9 -19.4 6.4 -2.2 75 76 A N H <5S+ 0 0 102 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.909 133.8 21.0 -77.2 -45.6 -18.2 9.9 -2.6 76 77 A H T <5S- 0 0 113 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.600 102.9-119.1 -99.4 -14.6 -15.2 9.3 -5.0 77 78 A G < - 0 0 44 -5,-1.0 2,-0.4 1,-0.2 -4,-0.3 0.922 42.0-177.1 77.4 45.1 -16.3 5.9 -6.3 78 79 A L + 0 0 27 -6,-0.9 2,-0.2 -9,-0.2 -1,-0.2 -0.631 7.0 170.8 -80.6 130.8 -13.3 3.9 -5.1 79 80 A N >> - 0 0 67 -2,-0.4 4,-1.4 44,-0.0 3,-1.0 -0.730 51.5 -85.5-130.6 179.4 -13.3 0.3 -6.2 80 81 A G H 3> S+ 0 0 16 1,-0.3 4,-2.9 -2,-0.2 5,-0.2 0.803 120.7 67.5 -57.0 -31.1 -11.1 -2.8 -6.1 81 82 A E H 3> S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.897 99.9 49.1 -58.4 -39.9 -9.6 -1.6 -9.4 82 83 A H H <> S+ 0 0 44 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.933 111.6 48.4 -64.6 -46.0 -8.0 1.3 -7.6 83 84 A F H X S+ 0 0 34 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.910 108.9 53.7 -60.3 -44.0 -6.6 -0.9 -4.9 84 85 A D H X S+ 0 0 73 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.870 105.8 54.2 -59.4 -38.1 -5.2 -3.3 -7.5 85 86 A A H X S+ 0 0 8 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.919 111.2 44.0 -63.3 -44.3 -3.4 -0.4 -9.2 86 87 A V H X S+ 0 0 24 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.921 116.8 45.9 -66.8 -44.5 -1.7 0.6 -6.0 87 88 A A H X S+ 0 0 28 -4,-2.7 4,-1.4 1,-0.2 3,-0.2 0.892 109.3 55.4 -65.6 -40.1 -0.8 -3.0 -5.0 88 89 A E H X S+ 0 0 119 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.877 102.5 57.2 -60.6 -38.0 0.4 -3.7 -8.6 89 90 A D H X S+ 0 0 34 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.886 101.7 55.9 -60.4 -39.6 2.8 -0.8 -8.3 90 91 A L H X S+ 0 0 6 -4,-1.2 4,-1.5 -3,-0.2 -1,-0.2 0.887 102.4 56.2 -60.4 -40.3 4.4 -2.3 -5.2 91 92 A L H X S+ 0 0 48 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.882 103.8 53.8 -60.2 -39.6 5.1 -5.5 -7.1 92 93 A A H X S+ 0 0 46 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.876 103.4 56.6 -63.6 -38.2 7.1 -3.6 -9.8 93 94 A T H X S+ 0 0 3 -4,-1.5 4,-1.3 1,-0.2 3,-0.2 0.899 104.8 51.8 -60.6 -41.8 9.3 -2.0 -7.1 94 95 A L H X>S+ 0 0 12 -4,-1.5 4,-1.6 1,-0.2 5,-1.5 0.865 103.1 59.3 -63.6 -36.8 10.3 -5.4 -5.8 95 96 A K H <5S+ 0 0 144 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.878 100.9 55.4 -60.2 -38.6 11.3 -6.5 -9.3 96 97 A E H <5S+ 0 0 120 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.911 106.1 50.5 -61.5 -42.5 13.8 -3.6 -9.5 97 98 A M H <5S- 0 0 89 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.838 113.2-122.5 -64.6 -32.2 15.5 -4.8 -6.4 98 99 A G T <5 + 0 0 56 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.628 45.7 170.9 97.8 18.4 15.7 -8.4 -7.9 99 100 A V < - 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