==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IRON BINDING PROTEIN 22-AUG-05 2BZT . COMPND 2 MOLECULE: PROTEIN ISCX; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.PASTORE,G.KELLY,S.ADINOLFI,J.E.MC CORMICK,A.PASTORE . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.0 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 47.0 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+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 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 M 0 0 215 0, 0.0 43,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 96.8 -5.7 9.1 12.8 2 2 A G - 0 0 17 41,-2.1 2,-0.3 1,-0.2 40,-0.3 -0.299 360.0 -21.7-120.1-152.7 -5.2 6.0 10.6 3 3 A L B -a 42 0A 16 38,-1.4 40,-0.9 -2,-0.1 2,-0.3 -0.455 69.4-149.4 -60.0 121.7 -2.6 4.8 8.2 4 4 A K - 0 0 62 -2,-0.3 3,-0.5 3,-0.2 7,-0.2 -0.743 16.7-126.3-100.7 146.1 -0.8 8.0 7.0 5 5 A W S S+ 0 0 12 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.905 112.2 49.7 -56.9 -46.3 0.7 8.4 3.5 6 6 A T S S+ 0 0 120 1,-0.3 2,-1.7 2,-0.1 3,-0.3 0.809 99.1 69.9 -62.9 -28.7 4.1 9.4 4.8 7 7 A D > + 0 0 72 -3,-0.5 4,-1.3 1,-0.2 -1,-0.3 -0.358 63.0 149.5 -86.3 57.9 4.0 6.3 7.1 8 8 A S H > + 0 0 26 -2,-1.7 4,-3.0 -3,-0.2 -1,-0.2 0.759 60.2 61.7 -66.5 -28.0 4.3 4.1 4.0 9 9 A R H > S+ 0 0 175 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.940 103.1 48.0 -68.4 -46.6 6.1 1.3 5.9 10 10 A E H > S+ 0 0 112 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 115.7 47.6 -59.9 -34.7 3.2 0.6 8.3 11 11 A I H X S+ 0 0 0 -4,-1.3 4,-2.7 -7,-0.2 -2,-0.2 0.902 109.1 52.3 -72.7 -42.7 1.0 0.6 5.2 12 12 A G H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.922 112.2 45.5 -58.2 -45.0 3.4 -1.7 3.3 13 13 A E H X S+ 0 0 89 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.881 110.9 54.7 -65.3 -38.4 3.4 -4.1 6.2 14 14 A A H X S+ 0 0 28 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.908 109.8 46.9 -58.9 -43.9 -0.4 -3.8 6.3 15 15 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.904 115.3 43.9 -67.9 -42.5 -0.7 -4.7 2.7 16 16 A Y H < S+ 0 0 82 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.818 113.5 53.9 -72.0 -30.2 1.6 -7.7 3.0 17 17 A D H < S+ 0 0 133 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.943 120.2 30.2 -66.0 -48.3 -0.1 -8.7 6.2 18 18 A A H < S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.799 133.2 33.8 -82.9 -30.2 -3.6 -8.7 4.6 19 19 A Y >< + 0 0 64 -4,-2.6 3,-0.7 -5,-0.3 -1,-0.2 -0.530 61.4 140.2-128.8 66.1 -2.4 -9.7 1.1 20 20 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.578 74.6 65.5 -78.4 -9.3 0.6 -12.1 1.4 21 21 A D T 3 S+ 0 0 150 -3,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.624 89.0 83.0 -84.6 -16.5 -1.0 -14.0 -1.5 22 22 A L S < S- 0 0 50 -3,-0.7 -3,-0.1 -6,-0.1 5,-0.0 -0.703 76.7-131.3 -97.5 141.7 -0.5 -11.1 -3.9 23 23 A D >> - 0 0 53 -2,-0.3 3,-1.0 1,-0.1 4,-0.9 -0.818 8.1-149.9 -93.1 118.7 2.7 -10.3 -5.7 24 24 A P T 34 S+ 0 0 3 0, 0.0 38,-0.2 0, 0.0 -1,-0.1 0.551 93.9 64.8 -66.0 -7.8 3.7 -6.6 -5.4 25 25 A K T 34 S+ 0 0 123 1,-0.2 37,-0.0 37,-0.1 33,-0.0 0.862 105.3 42.2 -81.4 -38.2 5.3 -6.7 -8.8 26 26 A T T <4 S+ 0 0 106 -3,-1.0 2,-0.6 2,-0.1 -1,-0.2 0.630 98.5 94.2 -79.5 -14.6 2.0 -7.3 -10.6 27 27 A V < - 0 0 9 -4,-0.9 2,-0.1 31,-0.1 -5,-0.0 -0.701 62.6-163.3 -83.7 119.3 0.4 -4.7 -8.3 28 28 A R > - 0 0 159 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.410 35.9 -99.1 -93.2 175.6 0.2 -1.3 -9.9 29 29 A F H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 123.1 52.5 -62.6 -42.0 -0.3 2.1 -8.1 30 30 A T H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.951 111.4 44.5 -55.8 -54.1 -4.0 2.0 -9.1 31 31 A D H > S+ 0 0 25 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.904 114.9 48.9 -61.2 -44.0 -4.7 -1.5 -7.8 32 32 A M H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.915 108.0 53.8 -63.5 -43.2 -2.8 -0.7 -4.5 33 33 A H H X S+ 0 0 49 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.807 104.2 57.9 -63.0 -28.9 -4.7 2.5 -4.0 34 34 A Q H X S+ 0 0 105 -4,-1.5 4,-0.6 -3,-0.2 -1,-0.2 0.943 114.5 34.9 -65.7 -47.3 -7.9 0.7 -4.3 35 35 A W H X S+ 0 0 60 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.893 117.2 52.4 -76.6 -40.8 -7.1 -1.7 -1.5 36 36 A I H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.854 113.4 44.9 -66.0 -33.0 -5.3 0.9 0.6 37 37 A C H < S+ 0 0 55 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.680 109.6 57.6 -81.1 -17.5 -8.2 3.3 0.3 38 38 A D H < S+ 0 0 120 -4,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.672 82.1 113.4 -82.7 -19.5 -10.5 0.3 1.1 39 39 A L < - 0 0 32 -4,-1.1 3,-0.2 1,-0.2 -36,-0.0 -0.301 62.1-149.5 -57.2 129.7 -8.6 -0.3 4.3 40 40 A E S S+ 0 0 190 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.790 100.6 52.0 -70.2 -28.0 -10.8 0.4 7.4 41 41 A D S S+ 0 0 111 -39,-0.1 -38,-1.4 2,-0.0 2,-0.2 0.673 85.8 106.1 -83.2 -18.6 -7.7 1.5 9.3 42 42 A F B +a 3 0A 22 -40,-0.3 2,-0.2 -3,-0.2 -38,-0.1 -0.460 38.9 154.6 -64.3 127.8 -6.7 3.9 6.5 43 43 A D + 0 0 88 -40,-0.9 -41,-2.1 -2,-0.2 -6,-0.0 -0.653 32.9 78.8-161.7 94.6 -7.4 7.5 7.6 44 44 A D S S- 0 0 63 -2,-0.2 -40,-0.1 -43,-0.1 -2,-0.0 -0.059 97.3 -27.5-154.9 -90.1 -5.6 10.5 6.1 45 45 A D - 0 0 69 1,-0.1 -2,-0.1 3,-0.1 -40,-0.0 -0.866 41.6-161.7-147.7 111.9 -6.5 11.9 2.7 46 46 A P S S+ 0 0 76 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.692 92.5 42.5 -65.1 -18.3 -8.1 9.7 -0.0 47 47 A Q S S+ 0 0 163 1,-0.2 2,-2.4 0, 0.0 -2,-0.0 0.821 93.6 74.3-103.1 -35.6 -7.1 12.1 -2.8 48 48 A A + 0 0 39 1,-0.1 2,-1.3 2,-0.0 -1,-0.2 -0.179 56.0 138.7 -76.8 50.6 -3.6 13.2 -2.0 49 49 A S - 0 0 21 -2,-2.4 -1,-0.1 -3,-0.2 5,-0.1 -0.567 37.8-167.7 -93.4 66.6 -2.2 9.9 -3.2 50 50 A N > - 0 0 102 -2,-1.3 4,-2.1 1,-0.1 3,-0.4 -0.147 32.0-109.8 -49.2 151.9 0.8 11.4 -5.0 51 51 A E H > S+ 0 0 145 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.937 120.2 47.3 -54.7 -51.6 2.6 8.9 -7.3 52 52 A K H > S+ 0 0 137 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.759 107.5 59.7 -65.1 -24.2 5.7 8.7 -5.1 53 53 A I H > S+ 0 0 32 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.971 112.6 36.5 -62.4 -53.8 3.3 8.3 -2.1 54 54 A L H X S+ 0 0 13 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.849 115.5 57.1 -67.6 -34.7 1.9 5.1 -3.7 55 55 A E H X S+ 0 0 54 -4,-3.0 4,-3.3 -5,-0.3 5,-0.2 0.917 103.8 51.8 -63.6 -44.7 5.3 4.2 -5.1 56 56 A A H X S+ 0 0 38 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.901 112.4 46.5 -58.3 -41.3 6.9 4.2 -1.6 57 57 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.863 113.5 48.6 -69.8 -36.5 4.1 1.9 -0.4 58 58 A L H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.923 111.7 49.5 -68.4 -43.7 4.6 -0.3 -3.4 59 59 A L H X S+ 0 0 93 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.871 111.5 48.1 -64.5 -39.1 8.3 -0.4 -2.9 60 60 A V H X S+ 0 0 20 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.826 108.4 55.0 -72.9 -29.3 8.0 -1.3 0.8 61 61 A W H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.932 108.3 49.0 -64.8 -44.1 5.5 -4.0 -0.2 62 62 A L H X S+ 0 0 39 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.911 111.6 50.5 -55.9 -44.1 8.1 -5.4 -2.5 63 63 A D H < S+ 0 0 112 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.914 116.8 38.4 -63.0 -46.1 10.6 -5.2 0.4 64 64 A E H < S+ 0 0 68 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.914 114.8 52.3 -73.0 -44.5 8.3 -7.0 2.8 65 65 A A H < 0 0 23 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.897 360.0 360.0 -63.1 -44.0 6.9 -9.6 0.4 66 66 A E < 0 0 167 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.859 360.0 360.0 -90.6 360.0 10.2 -10.8 -0.8