==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(CARBON-OXYGEN) 17-JAN-93 1ACO . COMPND 2 MOLECULE: ACONITASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.D.STOUT . 753 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.4 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 . 4 0.5 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 . 45 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 3 2 1 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 7 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 . 8 3 3 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 . 2 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 0 171 0, 0.0 2,-0.1 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0-138.7 24.3 1.4 87.8 2 3 A A - 0 0 28 13,-0.1 2,-0.4 2,-0.1 12,-0.0 -0.411 360.0-143.0 -79.9 152.7 26.1 1.3 84.5 3 4 A K + 0 0 144 -2,-0.1 2,-0.5 11,-0.1 13,-0.1 -0.812 39.1 157.8-118.9 77.7 29.8 2.2 84.7 4 5 A V - 0 0 20 -2,-0.4 11,-2.8 11,-0.3 -2,-0.1 -0.948 38.9-124.5-107.5 121.1 30.0 4.0 81.4 5 6 A A B -A 14 0A 19 -2,-0.5 9,-0.3 9,-0.2 3,-0.1 -0.285 10.1-127.0 -69.1 147.4 33.0 6.5 81.2 6 7 A M S S- 0 0 9 7,-2.9 2,-0.3 4,-0.6 -1,-0.1 0.695 86.9 -13.9 -64.5 -27.1 32.4 10.2 80.3 7 8 A S S > S- 0 0 2 3,-0.4 3,-0.9 6,-0.3 6,-0.2 -0.974 73.5 -95.6-163.0 175.8 35.0 10.0 77.4 8 9 A H T 3 S+ 0 0 114 144,-0.4 145,-0.1 -2,-0.3 -2,-0.0 0.672 121.2 55.0 -74.2 -14.4 37.7 7.8 76.1 9 10 A F T 3 S+ 0 0 50 1,-0.2 -1,-0.3 143,-0.2 3,-0.1 0.568 107.1 48.8 -98.3 -11.8 40.3 9.8 78.0 10 11 A E X + 0 0 11 -3,-0.9 3,-2.3 3,-0.1 -4,-0.6 -0.576 61.8 168.8-128.2 76.6 38.7 9.5 81.5 11 12 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.708 79.0 48.0 -65.0 -16.3 38.0 5.7 81.9 12 13 A H T 3 S+ 0 0 98 -3,-0.1 2,-0.7 -7,-0.1 -8,-0.0 0.284 88.1 88.8-106.7 -2.0 37.2 6.2 85.6 13 14 A E < - 0 0 71 -3,-2.3 -7,-2.9 -6,-0.2 -6,-0.3 -0.925 68.2-157.9-104.4 111.3 34.8 9.2 85.4 14 15 A Y B -A 5 0A 84 -2,-0.7 -9,-0.2 -9,-0.3 2,-0.2 -0.682 19.8-110.0 -98.5 148.1 31.4 7.7 84.9 15 16 A I - 0 0 7 -11,-2.8 2,-0.4 -2,-0.3 -11,-0.3 -0.484 27.7-150.0 -65.0 134.2 28.2 9.3 83.5 16 17 A R > + 0 0 128 -2,-0.2 4,-2.0 1,-0.2 3,-0.2 -0.481 42.4 143.9-113.5 64.8 25.7 9.9 86.3 17 18 A Y H > S+ 0 0 6 -2,-0.4 4,-2.8 2,-0.2 5,-0.2 0.824 74.5 63.7 -68.7 -23.6 22.3 9.6 84.7 18 19 A D H > S+ 0 0 49 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.925 105.4 45.4 -63.2 -40.8 21.2 7.9 88.0 19 20 A L H > S+ 0 0 63 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.915 111.4 51.6 -65.7 -47.4 22.0 11.2 89.7 20 21 A L H X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.942 111.7 47.0 -56.8 -46.0 20.2 13.2 87.0 21 22 A E H X S+ 0 0 76 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.947 111.2 51.7 -61.6 -47.8 17.0 11.1 87.4 22 23 A K H X S+ 0 0 98 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.875 113.0 44.1 -57.6 -44.2 17.1 11.3 91.1 23 24 A N H X S+ 0 0 12 -4,-2.3 4,-2.2 21,-0.2 -1,-0.2 0.916 110.5 53.7 -72.2 -39.4 17.3 15.1 91.0 24 25 A I H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.892 110.1 50.6 -58.8 -41.0 14.7 15.5 88.2 25 26 A D H X S+ 0 0 48 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.880 107.1 50.4 -71.8 -35.5 12.4 13.5 90.4 26 27 A I H X S+ 0 0 56 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.956 115.9 44.8 -60.6 -46.8 12.9 15.6 93.6 27 28 A V H >X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.8 0.906 109.4 51.9 -65.8 -45.7 12.2 18.8 91.6 28 29 A R H 3X S+ 0 0 54 -4,-2.9 4,-2.9 1,-0.3 5,-0.3 0.899 105.9 56.7 -69.1 -25.5 9.1 17.6 89.7 29 30 A K H 3< S+ 0 0 125 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.788 112.0 44.4 -67.0 -27.3 7.6 16.5 93.0 30 31 A R H << S+ 0 0 99 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.883 122.3 34.0 -80.8 -40.9 8.1 20.1 94.1 31 32 A L H < S- 0 0 43 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.795 81.9-157.3 -90.8 -27.1 6.8 21.9 90.9 32 33 A N < + 0 0 133 -4,-2.9 -3,-0.1 -5,-0.3 -4,-0.1 0.923 57.7 96.1 48.5 53.7 4.1 19.5 89.8 33 34 A R S S- 0 0 87 -5,-0.3 -1,-0.2 271,-0.0 -2,-0.1 -0.969 85.5 -79.5-157.6 161.3 4.2 20.5 86.2 34 35 A P - 0 0 52 0, 0.0 271,-0.5 0, 0.0 2,-0.4 -0.366 44.9-141.9 -63.1 146.2 5.8 19.3 83.0 35 36 A L - 0 0 0 269,-0.1 266,-2.3 -2,-0.1 269,-0.2 -0.873 9.9-125.6-110.2 139.7 9.5 20.3 82.6 36 37 A T > - 0 0 0 -2,-0.4 4,-2.1 264,-0.2 5,-0.1 -0.263 34.8-102.9 -69.6 172.8 11.1 21.4 79.4 37 38 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.930 123.6 51.7 -62.3 -43.3 14.3 19.5 78.3 38 39 A S H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.925 109.2 51.8 -64.5 -37.5 16.6 22.3 79.4 39 40 A E H >>S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.6 0.907 107.5 52.1 -63.0 -43.9 14.8 22.3 82.8 40 41 A K H X5S+ 0 0 2 -4,-2.1 4,-1.8 3,-0.2 -2,-0.2 0.959 116.4 38.1 -59.3 -48.9 15.4 18.6 83.2 41 42 A I H <5S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.937 122.3 42.8 -71.6 -41.3 19.1 18.8 82.5 42 43 A V H ><5S+ 0 0 2 -4,-2.8 3,-1.8 -5,-0.3 -3,-0.2 0.982 120.3 39.7 -70.1 -53.9 19.7 22.1 84.4 43 44 A Y H ><5S+ 0 0 4 -4,-2.6 3,-1.8 -5,-0.3 -3,-0.2 0.889 109.4 64.1 -66.4 -26.4 17.5 21.3 87.5 44 45 A G T 3<> + 0 0 57 14,-0.5 4,-2.4 1,-0.1 3,-0.6 -0.693 68.6 173.4-138.5 80.7 20.4 21.1 96.4 49 50 A P T 34 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.828 78.2 57.4 -61.3 -24.5 17.3 20.1 94.5 50 51 A A T 34 S+ 0 0 48 1,-0.2 -2,-0.0 3,-0.0 -27,-0.0 0.861 120.4 23.3 -78.0 -31.9 15.1 19.9 97.6 51 52 A N T <4 S+ 0 0 111 -3,-0.6 -1,-0.2 2,-0.1 2,-0.0 0.625 87.0 117.6-113.4 -14.0 15.7 23.5 98.7 52 53 A Q < - 0 0 1 -4,-2.4 2,-0.4 1,-0.1 9,-0.1 -0.311 63.3-128.5 -55.1 127.9 16.6 25.5 95.6 53 54 A E - 0 0 134 7,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.700 26.8-163.8 -75.9 132.4 14.1 28.3 94.7 54 55 A I + 0 0 24 -2,-0.4 2,-0.3 7,-0.0 6,-0.0 -0.957 26.4 145.5-128.3 104.2 13.3 27.8 91.1 55 56 A E >> - 0 0 104 -2,-0.5 3,-2.5 4,-0.1 4,-1.7 -0.945 50.7-114.6-138.6 123.0 11.6 30.7 89.2 56 57 A R T 34 S+ 0 0 32 -2,-0.3 144,-0.2 1,-0.3 142,-0.1 -0.254 99.3 4.5 -60.5 133.8 12.4 31.2 85.5 57 58 A G T 34 S+ 0 0 21 141,-2.8 -1,-0.3 2,-0.2 143,-0.1 0.446 128.7 62.9 74.2 2.3 14.2 34.5 85.0 58 59 A K T <4 S+ 0 0 133 -3,-2.5 -2,-0.2 141,-0.1 2,-0.2 0.796 82.0 59.4-129.8 -39.8 14.4 35.3 88.7 59 60 A T S < S- 0 0 23 -4,-1.7 139,-3.3 140,-0.1 2,-0.6 -0.557 70.2-124.0 -96.9 158.7 16.3 33.0 91.0 60 61 A Y E - C 0 197B 35 137,-0.3 2,-0.3 -2,-0.2 137,-0.3 -0.889 27.5-146.4 -97.9 123.7 20.0 32.1 90.9 61 62 A L E - C 0 196B 0 135,-3.1 135,-2.2 -2,-0.6 2,-0.6 -0.696 4.8-140.4 -88.0 143.2 20.6 28.3 90.7 62 63 A R E - C 0 195B 71 -2,-0.3 -15,-2.8 133,-0.2 -14,-0.5 -0.961 34.7-178.5-106.9 116.1 23.5 26.7 92.3 63 64 A L E -BC 46 194B 1 131,-2.9 131,-2.4 -2,-0.6 -17,-0.2 -0.742 30.9-140.9-120.7 157.6 24.6 24.0 89.9 64 65 A R - 0 0 98 -19,-2.3 95,-0.1 -2,-0.3 -2,-0.0 -0.864 24.0-153.5-118.2 92.7 27.3 21.3 89.7 65 66 A P - 0 0 11 0, 0.0 95,-0.2 0, 0.0 3,-0.1 -0.267 12.7-138.2 -60.7 153.7 28.7 21.1 86.1 66 67 A D S S- 0 0 40 93,-2.9 2,-0.3 1,-0.2 94,-0.2 0.777 77.0 -2.8 -81.1 -34.2 30.2 17.8 84.9 67 68 A R E -d 160 0C 2 92,-1.1 94,-2.0 25,-0.2 2,-0.4 -0.986 56.4-135.0-160.1 164.7 33.2 19.3 83.1 68 69 A V E -de 161 94C 0 25,-2.4 27,-1.6 -2,-0.3 2,-0.4 -0.977 15.3-170.1-123.5 130.9 35.1 22.4 82.1 69 70 A A E -de 162 95C 2 92,-2.1 94,-2.0 -2,-0.4 2,-0.3 -0.987 6.5-175.3-121.8 141.3 36.6 23.1 78.7 70 71 A M E - e 0 96C 0 25,-2.3 27,-2.1 -2,-0.4 2,-0.3 -0.970 15.2-145.9-131.7 145.8 39.0 26.1 78.0 71 72 A Q E >> - e 0 97C 5 92,-0.4 4,-2.6 -2,-0.3 3,-1.7 -0.803 35.0-105.3-108.5 158.9 40.6 27.4 74.7 72 73 A D H 3> S+ 0 0 0 25,-2.4 4,-0.7 -2,-0.3 26,-0.1 0.680 113.3 59.5 -66.7 -16.4 44.0 29.0 74.9 73 74 A A H 34 S+ 0 0 0 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.702 122.5 25.1 -80.2 -19.6 43.1 32.6 74.4 74 75 A T H <> S+ 0 0 5 -3,-1.7 4,-1.9 2,-0.1 -2,-0.2 0.588 109.9 73.1-113.1 -15.7 40.9 32.5 77.6 75 76 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.823 87.8 63.6 -68.4 -30.0 42.7 29.6 79.4 76 77 A Q H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.965 109.8 36.3 -62.5 -46.8 45.7 31.8 80.3 77 78 A M H > S+ 0 0 0 502,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.858 115.3 55.6 -77.7 -31.2 43.8 34.2 82.5 78 79 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.961 113.1 43.0 -63.1 -44.6 41.5 31.4 83.9 79 80 A M H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.830 109.4 55.9 -72.3 -33.3 44.6 29.5 85.0 80 81 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 -5,-0.2 460,-0.3 0.900 111.3 45.6 -64.8 -36.4 46.4 32.6 86.3 81 82 A Q H X S+ 0 0 4 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.887 112.2 51.0 -69.6 -36.2 43.4 33.2 88.6 82 83 A F H X>S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 5,-0.5 0.918 107.4 53.5 -64.0 -42.9 43.4 29.4 89.5 83 84 A I H ><5S+ 0 0 36 -4,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.885 106.3 53.0 -59.3 -43.2 47.1 29.7 90.4 84 85 A S H 3<5S+ 0 0 39 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 98.7 64.4 -59.9 -31.0 46.2 32.7 92.7 85 86 A S H 3<5S- 0 0 0 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.863 97.5-141.6 -64.8 -29.3 43.6 30.5 94.5 86 87 A G T <<5 + 0 0 56 -4,-1.0 -1,-0.1 -3,-0.6 -3,-0.1 0.399 47.3 148.8 85.0 -0.8 46.4 28.3 95.7 87 88 A L < - 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