==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 31-JUL-99 1C96 . COMPND 2 MOLECULE: MITOCHONDRIAL ACONITASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.J.LLOYD,H.LAUBLE,G.S.PRASAD,C.D.STOUT . 753 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 55 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.3 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 2 0 0 2 3 6 2 4 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 6 1 2 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 . 9 4 1 1 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 . 1 1 1 0 1 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 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 R 0 0 151 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.7 64.9 101.1 83.5 2 3 A A - 0 0 48 13,-0.1 2,-0.3 1,-0.1 16,-0.1 -0.496 360.0-152.8 -81.4 147.8 63.3 100.4 80.2 3 4 A K + 0 0 123 -2,-0.2 2,-0.5 11,-0.1 13,-0.1 -0.760 33.7 152.6-125.0 76.8 59.8 98.8 79.9 4 5 A V - 0 0 19 -2,-0.3 11,-2.5 11,-0.3 2,-0.1 -0.937 42.2-124.2-110.9 117.4 59.9 96.9 76.6 5 6 A A B -A 14 0A 22 -2,-0.5 9,-0.3 9,-0.2 7,-0.1 -0.391 8.5-127.4 -70.8 141.3 57.6 93.9 76.5 6 7 A M S S- 0 0 8 7,-3.2 2,-0.3 4,-0.5 -1,-0.1 0.745 85.5 -13.3 -50.3 -37.2 58.8 90.5 75.6 7 8 A S S > S- 0 0 6 3,-0.5 3,-0.5 6,-0.3 6,-0.2 -0.951 73.4 -94.6-157.4 174.0 56.2 90.0 72.9 8 9 A H T 3 S+ 0 0 118 144,-0.4 145,-0.1 -2,-0.3 -2,-0.0 0.600 122.2 53.7 -70.2 -9.6 53.0 91.5 71.5 9 10 A F T 3 S+ 0 0 36 1,-0.2 -1,-0.2 143,-0.2 3,-0.1 0.594 107.7 46.2-101.3 -18.9 51.0 89.0 73.7 10 11 A E X + 0 0 14 -3,-0.5 3,-1.2 3,-0.1 -4,-0.5 -0.658 59.5 162.1-130.8 77.3 52.6 89.8 77.1 11 12 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.625 77.0 54.9 -68.4 -15.6 52.7 93.6 77.5 12 13 A H T 3 S+ 0 0 122 -3,-0.1 2,-0.6 1,-0.1 -8,-0.0 0.418 93.5 83.0 -98.4 -8.9 53.1 93.4 81.2 13 14 A E < - 0 0 76 -3,-1.2 -7,-3.2 -6,-0.2 -6,-0.3 -0.899 69.1-161.5-106.7 108.9 56.2 91.1 80.9 14 15 A Y B -A 5 0A 73 -2,-0.6 2,-0.3 -9,-0.3 -9,-0.2 -0.517 22.9-105.0 -95.3 152.6 59.4 93.1 80.2 15 16 A I - 0 0 5 -11,-2.5 2,-0.5 -2,-0.2 -11,-0.3 -0.545 29.0-148.9 -70.6 132.4 62.8 92.2 78.8 16 17 A R > + 0 0 89 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.525 42.9 142.3-107.6 66.2 65.4 92.1 81.6 17 18 A Y H > S+ 0 0 6 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.772 74.7 60.4 -79.2 -23.5 68.7 93.1 80.1 18 19 A D H > S+ 0 0 52 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 106.3 46.4 -68.3 -36.3 69.5 94.9 83.3 19 20 A L H > S+ 0 0 64 2,-0.2 4,-2.0 3,-0.2 -2,-0.2 0.910 112.1 51.1 -68.2 -41.7 69.3 91.6 85.1 20 21 A L H X S+ 0 0 6 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.958 113.8 43.9 -55.3 -53.8 71.4 89.9 82.5 21 22 A E H X S+ 0 0 71 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.873 110.7 55.9 -59.3 -40.8 74.0 92.7 82.7 22 23 A K H X S+ 0 0 101 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.907 113.6 39.9 -58.8 -41.9 73.8 92.5 86.5 23 24 A N H X S+ 0 0 12 -4,-2.0 4,-2.1 21,-0.2 -2,-0.2 0.852 110.7 55.8 -83.2 -31.6 74.6 88.8 86.4 24 25 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.868 109.1 50.6 -63.4 -38.0 77.2 88.9 83.7 25 26 A D H X S+ 0 0 46 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.945 109.3 49.1 -71.4 -39.4 79.1 91.4 85.7 26 27 A I H X S+ 0 0 53 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.919 115.0 45.6 -59.3 -43.4 79.0 89.3 88.9 27 28 A V H >X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.8 0.915 110.4 49.0 -75.5 -44.7 80.2 86.2 86.9 28 29 A R H 3X S+ 0 0 60 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.817 106.1 60.6 -68.0 -21.4 83.1 87.8 85.0 29 30 A K H 3< S+ 0 0 128 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.857 113.2 38.0 -65.1 -31.5 84.2 89.3 88.4 30 31 A R H << S+ 0 0 84 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.884 124.7 37.1 -84.0 -39.1 84.5 85.7 89.5 31 32 A L H < S- 0 0 43 -4,-2.6 -3,-0.2 2,-0.1 -2,-0.2 0.777 82.8-158.3 -89.0 -24.5 85.9 84.2 86.3 32 33 A N < + 0 0 138 -4,-2.6 -3,-0.1 -5,-0.2 -4,-0.1 0.793 55.1 94.3 48.7 42.0 88.2 87.1 85.2 33 34 A R S S- 0 0 80 -5,-0.1 -1,-0.2 271,-0.0 -2,-0.1 -0.942 85.6 -76.6-146.6 163.2 88.3 86.1 81.5 34 35 A P - 0 0 49 0, 0.0 271,-0.4 0, 0.0 2,-0.3 -0.407 46.4-141.8 -58.5 143.6 86.5 86.9 78.3 35 36 A L - 0 0 0 269,-0.1 266,-2.3 267,-0.1 269,-0.2 -0.880 9.7-126.3-108.8 142.6 83.1 85.3 78.0 36 37 A T > - 0 0 0 -2,-0.3 4,-2.2 264,-0.2 5,-0.1 -0.299 35.2-101.3 -76.6 177.8 81.8 83.9 74.7 37 38 A L H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.884 125.1 49.6 -65.9 -40.4 78.3 85.1 73.6 38 39 A S H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.887 109.7 52.4 -68.3 -35.3 76.7 81.9 74.8 39 40 A E H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.5 0.894 107.5 52.7 -64.6 -42.8 78.5 82.2 78.2 40 41 A K H X S+ 0 0 2 -4,-2.2 4,-2.0 3,-0.2 -2,-0.2 0.962 115.7 38.2 -54.2 -52.9 77.2 85.8 78.5 41 42 A I H < S+ 0 0 0 -4,-2.1 4,-0.4 2,-0.2 -2,-0.2 0.913 121.7 43.7 -71.9 -38.4 73.5 84.8 78.0 42 43 A V H >< S+ 0 0 2 -4,-2.8 3,-1.5 2,-0.2 -3,-0.2 0.965 118.9 40.4 -71.3 -53.3 73.7 81.5 79.9 43 44 A Y H >< S+ 0 0 2 -4,-2.5 3,-1.6 -5,-0.3 -2,-0.2 0.872 110.1 61.8 -67.3 -26.4 75.7 82.8 82.9 44 45 A G T 3< S+ 0 0 3 -4,-2.0 -1,-0.3 -5,-0.5 -21,-0.2 0.654 104.6 50.0 -71.0 -13.4 73.6 86.0 82.8 45 46 A H T < S+ 0 0 18 -3,-1.5 19,-1.7 -4,-0.4 -1,-0.3 0.212 81.3 128.0-105.5 17.1 70.5 83.8 83.5 46 47 A L B < -B 63 0B 6 -3,-1.6 17,-0.2 17,-0.2 -3,-0.0 -0.422 56.9-141.4 -74.0 143.6 72.0 81.9 86.5 47 48 A D S S+ 0 0 70 15,-2.2 -1,-0.1 1,-0.3 16,-0.1 0.838 100.7 26.7 -69.8 -34.1 69.8 81.8 89.6 48 49 A D > + 0 0 48 14,-0.5 4,-2.0 1,-0.1 3,-0.3 -0.698 68.8 165.7-129.0 78.6 72.8 82.2 91.9 49 50 A P T 4 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.787 77.6 55.9 -60.6 -30.7 75.6 84.0 89.8 50 51 A A T 4 S+ 0 0 51 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.0 0.855 122.9 21.1 -73.1 -33.9 77.6 84.7 93.0 51 52 A N T 4 S+ 0 0 109 -3,-0.3 -1,-0.1 2,-0.1 2,-0.1 0.536 85.7 120.0-117.6 -4.6 77.8 81.1 94.1 52 53 A Q < - 0 0 5 -4,-2.0 2,-0.5 1,-0.1 9,-0.1 -0.356 63.3-129.0 -58.9 131.0 77.3 78.9 91.0 53 54 A E - 0 0 134 7,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.761 30.1-160.5 -79.5 129.7 80.3 76.7 90.4 54 55 A I + 0 0 18 -2,-0.5 2,-0.3 -27,-0.1 7,-0.0 -0.924 25.9 146.6-122.4 111.3 81.0 77.3 86.6 55 56 A E >> - 0 0 98 -2,-0.5 3,-2.6 145,-0.0 4,-1.9 -0.917 47.6-114.3-146.3 121.1 83.1 74.9 84.5 56 57 A R T 34 S+ 0 0 38 -2,-0.3 144,-0.2 1,-0.3 142,-0.1 -0.161 98.0 3.5 -65.1 129.1 82.7 74.1 80.9 57 58 A G T 34 S+ 0 0 37 141,-2.7 -1,-0.3 177,-0.2 143,-0.1 0.436 129.8 51.3 79.6 1.2 81.7 70.6 80.4 58 59 A K T <4 S+ 0 0 122 -3,-2.6 2,-0.2 141,-0.1 -2,-0.2 0.601 83.4 76.4-136.9 -12.2 81.3 69.5 84.0 59 60 A T < - 0 0 25 -4,-1.9 139,-3.0 139,-0.1 2,-0.6 -0.669 68.4-127.8 -98.8 152.2 79.2 71.7 86.3 60 61 A Y E - C 0 197B 40 137,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.886 23.4-147.9-103.3 121.5 75.3 71.8 86.3 61 62 A L E - C 0 196B 0 135,-2.6 135,-2.3 -2,-0.6 2,-0.7 -0.791 4.8-143.0 -87.2 128.9 74.0 75.3 86.0 62 63 A R E - C 0 195B 70 -2,-0.4 -15,-2.2 133,-0.2 -14,-0.5 -0.886 35.1-178.4 -98.1 110.6 70.8 76.3 87.7 63 64 A L E -BC 46 194B 0 131,-2.6 131,-2.4 -2,-0.7 -17,-0.2 -0.712 31.3-143.7-114.7 161.9 69.2 78.6 85.2 64 65 A R - 0 0 96 -19,-1.7 95,-0.1 -2,-0.2 -2,-0.0 -0.847 24.2-152.6-127.6 86.9 66.0 80.7 85.0 65 66 A P - 0 0 8 0, 0.0 95,-0.2 0, 0.0 3,-0.1 -0.235 12.4-137.6 -58.0 151.6 64.7 80.7 81.5 66 67 A D S S+ 0 0 33 93,-2.9 2,-0.3 1,-0.3 94,-0.2 0.765 78.5 1.2 -82.8 -28.5 62.6 83.7 80.3 67 68 A R E -d 160 0C 1 92,-1.3 94,-2.0 25,-0.1 2,-0.3 -0.989 57.1-140.0-162.5 163.7 60.0 81.6 78.5 68 69 A V E -de 161 94C 0 25,-2.0 27,-1.7 -2,-0.3 2,-0.4 -0.940 14.2-173.4-126.9 136.8 58.8 78.2 77.5 69 70 A A E -de 162 95C 1 92,-2.0 94,-2.2 -2,-0.3 2,-0.3 -0.992 3.1-177.0-138.3 143.4 57.3 76.9 74.2 70 71 A M E - e 0 96C 0 25,-2.1 27,-1.9 -2,-0.4 2,-0.3 -0.950 16.9-140.5-136.5 148.0 55.8 73.5 73.4 71 72 A Q E >> - e 0 97C 8 92,-0.4 3,-1.5 -2,-0.3 4,-1.1 -0.769 35.7-102.2-109.5 165.8 54.4 72.0 70.3 72 73 A D T 34 S+ 0 0 0 25,-2.0 4,-0.5 -2,-0.3 26,-0.1 0.606 116.3 54.4 -73.2 -10.1 51.4 69.8 70.3 73 74 A A T 34 S+ 0 0 0 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.635 122.9 29.9 -87.2 -18.4 53.0 66.4 70.0 74 75 A T T <> S+ 0 0 2 -3,-1.5 4,-0.9 2,-0.1 -2,-0.2 0.298 108.2 72.7-114.3 3.1 55.2 67.2 73.1 75 76 A A H X S+ 0 0 0 -4,-1.1 4,-2.7 2,-0.2 5,-0.2 0.803 87.0 65.0 -85.8 -28.2 52.7 69.5 74.9 76 77 A Q H > S+ 0 0 0 -4,-0.5 4,-2.1 2,-0.2 5,-0.1 0.959 107.8 34.9 -61.7 -53.2 50.3 66.8 75.8 77 78 A M H > S+ 0 0 0 502,-0.2 4,-2.0 -4,-0.2 -1,-0.2 0.866 116.0 57.7 -73.8 -29.9 52.6 64.8 78.2 78 79 A A H X S+ 0 0 0 -4,-0.9 4,-1.3 1,-0.2 -2,-0.2 0.944 110.0 43.8 -65.2 -42.1 54.2 68.1 79.5 79 80 A M H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.867 108.0 56.9 -78.1 -29.5 50.8 69.5 80.6 80 81 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.917 111.1 44.7 -58.8 -39.4 49.7 66.2 82.2 81 82 A Q H X S+ 0 0 8 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.749 114.2 49.9 -73.3 -23.9 52.8 66.4 84.4 82 83 A F H X>S+ 0 0 0 -4,-1.3 5,-0.9 2,-0.2 4,-0.6 0.925 110.6 49.8 -77.0 -39.6 52.1 70.2 85.0 83 84 A I H ><5S+ 0 0 34 -4,-3.1 3,-1.8 1,-0.2 -2,-0.2 0.955 108.3 54.1 -52.0 -54.1 48.4 69.3 85.9 84 85 A S H 3<5S+ 0 0 37 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.746 99.4 59.5 -53.6 -34.9 49.8 66.6 88.3 85 86 A S H 3<5S- 0 0 6 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.703 101.6-141.2 -71.5 -15.6 52.0 69.2 90.1 86 87 A G T <<5 + 0 0 54 -3,-1.8 -3,-0.2 -4,-0.6 -2,-0.1 0.800 43.2 156.0 64.2 29.8 48.7 71.0 90.8 87 88 A L < - 0 0 53 -5,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.717 41.7-139.4 -82.8 142.1 50.1 74.4 90.3 88 89 A P S S+ 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.737 78.8 4.9 -83.0 -23.1 47.2 76.9 89.4 89 90 A K S S- 0 0 145 100,-0.1 45,-0.2 45,-0.1 44,-0.1 -0.984 84.2 -93.2-155.3 156.0 49.1 78.8 86.8 90 91 A V - 0 0 12 43,-2.6 100,-0.2 -2,-0.3 99,-0.1 -0.267 25.6-134.2 -69.5 153.1 52.6 78.7 85.0 91 92 A A S S+ 0 0 59 98,-2.6 98,-0.2 97,-0.1 -1,-0.1 0.736 81.8 23.9 -83.4 -26.0 55.5 80.7 86.3 92 93 A V S S- 0 0 34 97,-0.0 -25,-0.1 1,-0.0 -26,-0.1 -0.852 104.1 -67.4-130.0 166.1 56.9 82.3 83.1 93 94 A P + 0 0 12 0, 0.0 -25,-2.0 0, 0.0 2,-0.3 -0.388 62.2 178.7 -53.7 129.6 55.4 83.1 79.6 94 95 A S E -e 68 0C 3 40,-0.4 42,-2.5 -27,-0.2 2,-0.3 -0.983 13.5-166.4-140.3 147.5 54.5 79.8 77.9 95 96 A T E -ef 69 136C 0 -27,-1.7 -25,-2.1 -2,-0.3 2,-0.4 -0.966 13.0-151.4-137.0 150.3 53.0 78.8 74.6 96 97 A I E -ef 70 137C 0 40,-2.0 42,-3.1 -2,-0.3 2,-0.4 -0.966 16.6-159.4-111.7 136.5 51.5 75.7 72.9 97 98 A H E -ef 71 138C 0 -27,-1.9 -25,-2.0 -2,-0.4 2,-1.1 -0.977 10.8-145.9-123.6 128.8 51.7 75.5 69.1 98 99 A C + 0 0 0 40,-1.3 43,-0.6 -2,-0.4 45,-0.2 -0.620 60.0 112.6 -99.7 79.5 49.4 73.2 67.0 99 100 A D + 0 0 0 -2,-1.1 321,-1.4 41,-0.1 322,-0.5 0.516 56.9 63.6-123.9 -20.0 51.7 72.1 64.2 100 101 A H S S+ 0 0 15 -3,-0.3 476,-0.1 1,-0.2 -2,-0.1 0.644 92.2 60.6 -91.1 -10.5 52.5 68.3 64.4 101 102 A L S S+ 0 0 3 1,-0.1 2,-0.8 2,-0.1 -1,-0.2 0.234 73.8 105.4-104.0 15.3 49.0 66.7 64.0 102 103 A I - 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