==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 07-MAR-79 1ECA . COMPND 2 MOLECULE: ERYTHROCRUORIN (AQUO MET); . SOURCE 2 ORGANISM_SCIENTIFIC: CHIRONOMUS THUMMI THUMMI; . AUTHOR W.STEIGEMANN,E.WEBER . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 79.4 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 . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0 0 0 0 0 0 2 1 0 0 0 0 0 2 1 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 1 A L 0 0 70 0, 0.0 2,-0.2 0, 0.0 119,-0.0 0.000 360.0 360.0 360.0 99.1 -14.3 10.7 26.3 2 2 A S > - 0 0 58 1,-0.0 4,-2.1 72,-0.0 3,-0.5 -0.585 360.0 -88.9-116.0 173.4 -16.0 7.4 25.6 3 3 A A H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.763 120.5 57.7 -55.3 -32.1 -15.0 4.2 23.7 4 4 A D H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 112.4 39.6 -65.5 -47.3 -16.5 5.4 20.4 5 5 A Q H > S+ 0 0 52 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.842 114.5 54.4 -69.2 -34.2 -14.3 8.6 20.3 6 6 A I H X S+ 0 0 19 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.897 108.3 49.1 -70.1 -39.6 -11.3 6.6 21.7 7 7 A S H X S+ 0 0 63 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.880 109.7 52.5 -69.1 -38.4 -11.5 4.1 18.9 8 8 A T H X S+ 0 0 53 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.903 110.8 45.5 -58.0 -47.1 -11.7 6.8 16.3 9 9 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.865 112.5 51.4 -65.8 -35.2 -8.6 8.6 17.5 10 10 A Q H X S+ 0 0 68 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.840 109.6 48.8 -80.7 -33.4 -6.7 5.4 17.8 11 11 A A H X S+ 0 0 63 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.875 113.6 49.0 -64.3 -40.0 -7.5 4.4 14.3 12 12 A S H >< S+ 0 0 11 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.920 111.5 47.7 -67.5 -46.0 -6.5 7.8 13.2 13 13 A F H >X S+ 0 0 7 -4,-3.0 4,-1.6 1,-0.2 3,-1.2 0.793 98.8 68.3 -64.5 -31.4 -3.2 7.8 15.0 14 14 A D H 3< S+ 0 0 96 -4,-1.5 4,-0.3 1,-0.3 -1,-0.2 0.808 94.5 59.3 -59.1 -30.9 -2.3 4.3 13.7 15 15 A K T << S+ 0 0 150 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.740 117.7 27.7 -68.9 -25.1 -2.0 5.8 10.2 16 16 A V T X4 S+ 0 0 7 -3,-1.2 3,-2.1 -4,-0.4 -2,-0.2 0.478 87.5 97.3-117.0 -5.2 0.8 8.3 11.3 17 17 A K T 3< S+ 0 0 100 -4,-1.6 -3,-0.1 1,-0.3 -2,-0.1 0.661 77.5 66.4 -65.9 -17.3 2.6 6.7 14.2 18 18 A G T 3 S+ 0 0 76 -4,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.393 92.2 66.6 -80.0 2.0 5.3 5.5 11.9 19 19 A D <> + 0 0 56 -3,-2.1 4,-1.4 1,-0.1 -1,-0.2 -0.428 51.1 148.4-121.9 58.3 6.4 9.0 11.2 20 20 A P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.856 74.0 55.7 -51.9 -40.5 7.8 10.4 14.5 21 21 A V H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 106.6 50.6 -64.0 -45.0 10.3 12.7 12.7 22 22 A G H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.842 111.0 48.4 -58.6 -35.7 7.5 14.3 10.6 23 23 A I H X S+ 0 0 6 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.920 112.0 47.2 -77.0 -44.1 5.4 15.0 13.7 24 24 A L H X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.859 109.5 55.7 -67.0 -36.2 8.3 16.5 15.7 25 25 A Y H X S+ 0 0 34 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.914 106.0 50.7 -59.6 -45.4 9.2 18.7 12.7 26 26 A A H X S+ 0 0 13 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.845 111.8 48.1 -61.1 -36.1 5.7 20.1 12.6 27 27 A V H X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.935 112.0 47.3 -69.9 -48.9 5.9 21.0 16.3 28 28 A F H < S+ 0 0 2 -4,-2.7 7,-0.3 1,-0.2 -2,-0.2 0.846 111.8 52.7 -60.1 -35.5 9.3 22.6 16.1 29 29 A K H < S+ 0 0 124 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.819 105.3 53.6 -71.1 -32.5 8.2 24.6 13.1 30 30 A A H < S+ 0 0 47 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.831 128.1 15.0 -69.9 -33.2 5.1 25.9 14.9 31 31 A D >X - 0 0 21 -4,-1.5 3,-2.0 -5,-0.1 4,-0.9 -0.709 59.9-170.2-148.7 93.9 7.2 27.2 17.7 32 32 A P H 3> S+ 0 0 88 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.645 84.8 70.8 -52.9 -20.6 11.0 27.6 17.4 33 33 A S H 34 S+ 0 0 50 2,-0.2 4,-0.3 1,-0.2 -5,-0.1 0.692 94.3 55.9 -73.8 -20.0 11.3 28.3 21.1 34 34 A I H X4 S+ 0 0 24 -3,-2.0 3,-1.2 -6,-0.2 4,-0.3 0.913 107.6 48.2 -70.3 -48.0 10.5 24.7 21.8 35 35 A M H >< S+ 0 0 18 -4,-0.9 3,-1.6 -7,-0.3 6,-0.3 0.857 103.1 63.9 -56.8 -37.7 13.4 23.7 19.5 36 36 A A T 3< S+ 0 0 59 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.603 90.2 66.4 -68.5 -13.1 15.7 26.1 21.4 37 37 A K T < S+ 0 0 113 -3,-1.2 2,-0.6 -4,-0.3 -1,-0.3 0.572 83.1 85.2 -77.9 -11.6 15.3 24.2 24.6 38 38 A F X> - 0 0 48 -3,-1.6 4,-2.2 -4,-0.3 3,-1.0 -0.841 68.6-154.1 -96.0 120.1 17.2 21.2 23.2 39 39 A T T 34 S+ 0 0 141 -2,-0.6 -1,-0.2 1,-0.2 -4,-0.0 0.838 95.1 56.4 -61.7 -33.0 20.9 21.7 23.6 40 40 A Q T 34 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 15,-0.1 0.664 118.6 27.8 -74.0 -18.5 21.4 19.4 20.6 41 41 A F T X4 S+ 0 0 2 -3,-1.0 3,-1.6 -6,-0.3 -2,-0.2 0.557 85.8 118.4-115.4 -14.9 19.2 21.5 18.2 42 42 A A T 3< S+ 0 0 45 -4,-2.2 -6,-0.1 1,-0.3 3,-0.1 -0.268 83.7 15.1 -61.5 140.6 19.4 25.1 19.4 43 43 A G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.603 103.2 112.1 69.1 14.2 21.0 27.4 16.9 44 44 A K S < S- 0 0 114 -3,-1.6 2,-0.6 2,-0.0 -1,-0.2 -0.637 76.2 -98.0-113.9 172.6 20.6 25.0 13.9 45 45 A D >> - 0 0 84 -2,-0.2 4,-1.5 1,-0.2 3,-0.9 -0.814 26.0-146.9 -96.3 120.3 18.5 25.1 10.8 46 46 A L H 3> S+ 0 0 20 -2,-0.6 4,-1.7 1,-0.3 3,-0.2 0.850 97.8 57.8 -53.9 -38.6 15.5 22.9 11.3 47 47 A E H 34 S+ 0 0 109 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.820 108.9 47.4 -66.5 -31.7 15.4 21.9 7.7 48 48 A S H <4 S+ 0 0 81 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.750 113.2 43.1 -77.3 -28.4 19.0 20.5 8.0 49 49 A I H >< S+ 0 0 11 -4,-1.5 3,-2.2 -3,-0.2 6,-0.4 0.652 89.3 88.8 -92.0 -19.1 18.6 18.5 11.2 50 50 A K T 3< S+ 0 0 76 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.821 93.0 42.9 -46.4 -41.4 15.3 17.0 10.3 51 51 A G T 3 S+ 0 0 77 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.175 94.2 102.5 -90.5 17.7 17.0 14.1 8.6 52 52 A T S <> S- 0 0 55 -3,-2.2 4,-1.6 1,-0.1 3,-0.2 -0.581 78.5-111.8-101.1 162.5 19.8 13.3 11.1 53 53 A A H > S+ 0 0 69 1,-0.2 4,-2.1 -2,-0.2 5,-0.1 0.825 112.2 55.0 -63.1 -38.3 20.1 10.6 13.7 54 54 A P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.861 106.2 52.3 -57.7 -40.5 19.8 12.7 16.8 55 55 A F H > S+ 0 0 0 -6,-0.4 4,-2.8 -3,-0.2 -2,-0.2 0.929 110.7 47.9 -61.2 -46.0 16.5 14.2 15.6 56 56 A E H X S+ 0 0 103 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.876 109.1 52.7 -66.4 -40.0 15.1 10.7 15.0 57 57 A T H X S+ 0 0 68 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.925 114.4 42.4 -58.0 -47.7 16.2 9.5 18.4 58 58 A H H X S+ 0 0 46 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.904 112.8 53.0 -65.1 -43.1 14.5 12.4 20.1 59 59 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.4 0.885 107.4 52.5 -63.0 -39.5 11.4 12.1 17.9 60 60 A N H X S+ 0 0 79 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.865 110.9 46.3 -65.5 -39.1 11.0 8.5 18.8 61 61 A R H X S+ 0 0 161 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.912 117.1 42.6 -63.6 -45.8 11.2 9.1 22.6 62 62 A I H X S+ 0 0 50 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.937 121.8 37.3 -74.9 -48.5 8.7 12.0 22.5 63 63 A V H X S+ 0 0 11 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.789 111.3 63.5 -74.6 -29.5 6.2 10.6 20.1 64 64 A G H X S+ 0 0 38 -4,-1.2 4,-1.2 -5,-0.4 -2,-0.2 0.863 105.8 43.4 -51.6 -42.7 6.7 7.2 21.7 65 65 A F H X S+ 0 0 66 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.853 111.5 53.3 -76.4 -36.7 5.4 8.4 25.0 66 66 A F H X S+ 0 0 18 -4,-1.5 4,-2.5 1,-0.2 3,-0.2 0.919 106.8 54.7 -62.7 -43.5 2.5 10.2 23.4 67 67 A S H X S+ 0 0 45 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.853 103.7 54.0 -54.0 -39.6 1.8 6.9 21.7 68 68 A K H X S+ 0 0 97 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.887 109.6 49.0 -58.5 -39.0 1.6 5.3 25.2 69 69 A I H >< S+ 0 0 5 -4,-1.5 3,-0.5 -3,-0.2 4,-0.4 0.925 110.6 48.2 -75.7 -44.3 -0.9 7.9 26.2 70 70 A I H >< S+ 0 0 6 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.881 109.0 55.9 -64.1 -39.2 -3.1 7.4 23.2 71 71 A G H 3< S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.741 110.4 43.6 -62.4 -27.5 -3.0 3.7 23.6 72 72 A E T X< S- 0 0 42 -4,-1.2 3,-2.6 -3,-0.5 -1,-0.2 0.267 89.5-176.9-104.5 11.6 -4.3 3.8 27.2 73 73 A L T < + 0 0 18 -3,-0.8 -3,-0.0 -4,-0.4 51,-0.0 -0.265 62.5 17.2 -53.3 139.9 -7.1 6.3 27.0 74 74 A P T 3 S+ 0 0 81 0, 0.0 2,-1.8 0, 0.0 -1,-0.4 -0.956 110.1 72.0-101.4 24.2 -8.7 7.2 29.1 75 75 A N < + 0 0 121 -3,-2.6 4,-0.2 1,-0.2 3,-0.1 -0.576 59.3 129.8 -97.1 74.2 -6.5 6.1 32.0 76 76 A I > + 0 0 2 -2,-1.8 4,-2.0 1,-0.1 3,-0.3 0.451 29.6 100.4-108.3 -1.8 -3.8 8.7 31.5 77 77 A E H > S+ 0 0 109 -3,-0.2 4,-2.2 1,-0.2 5,-0.1 0.840 80.9 51.7 -54.7 -43.6 -3.3 10.4 34.9 78 78 A A H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 112.1 47.7 -67.1 -39.0 -0.1 8.6 36.0 79 79 A D H > S+ 0 0 19 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.827 108.6 52.8 -70.8 -34.9 1.6 9.3 32.8 80 80 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 107.2 54.7 -61.9 -42.3 0.7 13.0 32.8 81 81 A N H X S+ 0 0 77 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 108.8 47.2 -56.1 -46.4 2.2 13.1 36.3 82 82 A T H X S+ 0 0 80 -4,-1.7 4,-1.7 2,-0.2 5,-0.2 0.900 110.9 52.0 -60.6 -43.8 5.4 11.7 35.0 83 83 A F H X S+ 0 0 33 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.895 110.2 48.1 -57.1 -42.5 5.4 14.2 32.1 84 84 A V H X S+ 0 0 16 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.900 108.1 56.3 -70.7 -40.7 4.9 17.1 34.5 85 85 A A H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.843 114.8 36.5 -57.3 -38.4 7.7 15.8 36.7 86 86 A S H < S+ 0 0 47 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.743 126.9 37.4 -86.8 -26.5 10.3 15.8 33.9 87 87 A H H ><>S+ 0 0 49 -4,-1.9 5,-1.3 -5,-0.2 3,-0.9 0.719 97.3 71.7-100.7 -25.1 9.0 19.0 32.2 88 88 A K G ><5S+ 0 0 127 -4,-3.1 3,-1.3 1,-0.2 -3,-0.1 0.894 100.1 51.6 -56.1 -42.9 7.9 21.3 35.0 89 89 A P G 3 5S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.571 100.6 62.3 -75.6 -10.5 11.6 21.9 35.9 90 90 A R G < 5S- 0 0 147 -3,-0.9 -2,-0.2 -4,-0.0 -3,-0.1 0.362 111.7-118.1 -88.9 3.3 12.5 22.7 32.3 91 91 A G T < 5 + 0 0 41 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.722 44.5 177.2 69.2 24.6 10.2 25.7 32.4 92 92 A V < - 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