==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(CARBON-OXYGEN) 11-NOV-94 1AMJ . 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) . 25611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 7.2 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 . 52 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 24.4 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 1 4 5 4 2 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 6 2 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 . 7 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 0 164 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.0 24.6 1.1 88.4 2 3 A A - 0 0 43 13,-0.1 2,-0.4 2,-0.0 16,-0.1 -0.475 360.0-151.8 -73.2 149.1 26.1 1.4 84.9 3 4 A K + 0 0 137 -2,-0.2 2,-0.5 11,-0.1 13,-0.1 -0.709 32.1 155.3-126.0 77.3 29.8 2.3 84.7 4 5 A V - 0 0 21 -2,-0.4 11,-2.9 11,-0.3 2,-0.1 -0.940 40.1-126.3-106.0 123.8 30.1 4.1 81.4 5 6 A A B -A 14 0A 19 -2,-0.5 9,-0.3 9,-0.3 3,-0.1 -0.404 12.2-123.3 -70.7 147.9 33.0 6.6 81.3 6 7 A M S S- 0 0 9 7,-3.0 2,-0.3 4,-0.5 -1,-0.1 0.725 87.2 -16.0 -60.8 -30.9 32.5 10.2 80.3 7 8 A S S > S- 0 0 2 3,-0.4 3,-0.8 6,-0.3 6,-0.2 -0.965 73.3 -93.8-161.5 172.7 35.0 9.9 77.4 8 9 A H T 3 S+ 0 0 115 144,-0.3 145,-0.1 -2,-0.3 -2,-0.0 0.661 121.9 54.7 -66.6 -17.1 37.9 7.7 76.1 9 10 A F T 3 S+ 0 0 48 1,-0.2 -1,-0.2 143,-0.2 3,-0.1 0.557 108.3 46.1 -96.4 -8.9 40.4 9.9 78.0 10 11 A E X + 0 0 10 -3,-0.8 3,-2.1 3,-0.1 -4,-0.5 -0.568 63.2 167.6-132.3 73.5 38.8 9.6 81.5 11 12 A P T 3 S+ 0 0 89 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.643 77.9 48.8 -67.8 -16.1 38.0 5.9 81.9 12 13 A H T 3 S+ 0 0 101 -3,-0.1 2,-0.7 -7,-0.1 -8,-0.0 0.190 88.7 88.6-104.3 -2.3 37.3 6.3 85.6 13 14 A E < - 0 0 70 -3,-2.1 -7,-3.0 -6,-0.2 -6,-0.3 -0.929 68.9-157.9-104.2 110.1 34.9 9.3 85.4 14 15 A Y B -A 5 0A 75 -2,-0.7 -9,-0.3 -9,-0.3 2,-0.2 -0.651 20.1-109.9 -97.2 149.2 31.4 7.8 85.0 15 16 A I - 0 0 5 -11,-2.9 2,-0.5 -2,-0.3 -11,-0.3 -0.490 28.3-151.6 -68.1 133.5 28.2 9.4 83.5 16 17 A R > + 0 0 94 -2,-0.2 4,-1.8 1,-0.2 3,-0.3 -0.487 40.9 145.3-110.4 62.4 25.8 9.9 86.4 17 18 A Y H > S+ 0 0 8 -2,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.744 72.4 66.9 -70.4 -18.7 22.3 9.6 84.9 18 19 A D H > S+ 0 0 51 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.923 104.4 42.1 -63.2 -44.6 21.3 8.0 88.2 19 20 A L H > S+ 0 0 71 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.888 111.8 55.3 -70.6 -39.1 21.9 11.3 90.0 20 21 A L H X S+ 0 0 8 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.966 110.7 45.8 -54.8 -50.5 20.2 13.3 87.1 21 22 A E H X S+ 0 0 76 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.927 111.8 50.9 -58.9 -47.2 17.1 11.1 87.5 22 23 A K H X S+ 0 0 118 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.904 112.9 45.6 -59.6 -44.1 17.0 11.4 91.3 23 24 A N H X S+ 0 0 21 -4,-2.4 4,-2.3 21,-0.2 -2,-0.2 0.901 109.6 53.4 -69.5 -37.6 17.3 15.2 91.1 24 25 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.878 110.8 49.9 -60.9 -40.4 14.6 15.6 88.3 25 26 A D H X S+ 0 0 48 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.810 107.5 50.3 -74.6 -30.2 12.3 13.6 90.5 26 27 A I H X S+ 0 0 49 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.960 115.2 46.2 -66.4 -45.7 12.9 15.7 93.7 27 28 A V H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.907 109.5 50.3 -65.8 -44.8 12.2 18.8 91.6 28 29 A R H 3X S+ 0 0 55 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.872 106.3 57.7 -72.2 -23.2 9.1 17.6 89.8 29 30 A K H 3< S+ 0 0 126 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.837 112.7 42.0 -63.7 -33.1 7.6 16.6 93.2 30 31 A R H << S+ 0 0 97 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.894 122.7 36.2 -77.5 -45.0 8.1 20.2 94.2 31 32 A L H < S- 0 0 45 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.815 80.3-157.7 -86.4 -27.3 6.9 21.9 91.0 32 33 A N < + 0 0 137 -4,-2.6 -3,-0.1 -5,-0.3 -4,-0.1 0.867 57.7 98.4 52.9 41.7 4.0 19.6 89.9 33 34 A R S S- 0 0 81 -5,-0.2 -1,-0.2 272,-0.0 -2,-0.1 -0.966 84.6 -84.8-146.5 158.7 4.2 20.7 86.3 34 35 A P - 0 0 53 0, 0.0 271,-0.4 0, 0.0 2,-0.4 -0.359 44.9-137.7 -58.8 147.3 5.8 19.3 83.1 35 36 A L - 0 0 0 269,-0.1 266,-2.5 267,-0.0 269,-0.2 -0.864 9.2-125.7-108.9 142.4 9.5 20.2 82.7 36 37 A T > - 0 0 0 -2,-0.4 4,-2.1 264,-0.2 5,-0.1 -0.346 34.0-104.4 -72.4 170.7 11.1 21.3 79.4 37 38 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.948 124.0 50.5 -59.5 -45.4 14.2 19.4 78.4 38 39 A S H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.892 109.1 52.8 -65.5 -33.3 16.5 22.3 79.4 39 40 A E H >>S+ 0 0 4 2,-0.2 4,-2.8 3,-0.2 5,-0.5 0.916 107.6 52.1 -64.7 -40.3 14.7 22.3 82.8 40 41 A K H X5S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.950 115.5 39.2 -62.5 -45.4 15.4 18.6 83.2 41 42 A I H X5S+ 0 0 0 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.949 120.5 43.5 -73.7 -42.9 19.1 18.9 82.5 42 43 A V H ><5S+ 0 0 3 -4,-2.7 3,-1.3 -5,-0.3 -2,-0.2 0.962 120.4 39.3 -69.0 -48.6 19.7 22.1 84.4 43 44 A Y H ><5S+ 0 0 3 -4,-2.8 3,-1.8 -5,-0.3 -1,-0.2 0.859 107.6 65.6 -72.9 -24.2 17.6 21.3 87.5 44 45 A G H 3< + 0 0 58 14,-0.5 4,-2.4 1,-0.1 3,-0.5 -0.735 67.2 172.5-138.2 81.4 20.4 21.2 96.4 49 50 A P T 4 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.822 78.2 57.8 -66.7 -24.8 17.3 20.2 94.5 50 51 A A T 4 S+ 0 0 48 1,-0.2 -2,-0.0 3,-0.0 -27,-0.0 0.849 120.9 24.2 -76.0 -28.2 15.1 20.0 97.7 51 52 A N T 4 S+ 0 0 114 -3,-0.5 -1,-0.2 2,-0.1 0, 0.0 0.669 87.4 117.2-114.8 -19.2 15.7 23.6 98.8 52 53 A Q < - 0 0 1 -4,-2.4 2,-0.5 1,-0.1 9,-0.1 -0.264 62.9-129.5 -49.5 131.0 16.6 25.5 95.6 53 54 A E - 0 0 128 7,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.780 25.7-163.8 -79.5 125.4 14.1 28.4 94.8 54 55 A I + 0 0 25 -2,-0.5 2,-0.4 4,-0.0 6,-0.0 -0.927 26.3 147.5-119.6 109.2 13.2 27.9 91.1 55 56 A E >> - 0 0 105 -2,-0.6 3,-2.4 4,-0.0 4,-1.8 -0.941 49.0-119.8-141.1 114.4 11.5 30.9 89.3 56 57 A R T 34 S+ 0 0 28 -2,-0.4 144,-0.2 1,-0.3 142,-0.1 -0.240 98.6 8.9 -58.0 137.7 12.4 31.2 85.5 57 58 A G T 34 S+ 0 0 22 141,-2.3 -1,-0.3 177,-0.2 143,-0.1 0.330 129.6 59.8 74.9 -6.3 14.0 34.6 84.9 58 59 A K T <4 S+ 0 0 125 -3,-2.4 -2,-0.2 141,-0.1 2,-0.1 0.844 82.5 61.5-123.5 -48.5 14.3 35.3 88.7 59 60 A T < - 0 0 18 -4,-1.8 139,-3.8 138,-0.1 2,-0.7 -0.428 69.3-124.8 -88.8 153.9 16.3 33.0 91.0 60 61 A Y E - C 0 197B 35 137,-0.3 2,-0.3 -2,-0.1 137,-0.3 -0.906 27.9-144.3 -93.7 118.8 20.0 32.2 90.8 61 62 A L E - C 0 196B 0 135,-3.1 135,-2.2 -2,-0.7 2,-0.6 -0.661 2.9-140.6 -81.5 139.0 20.5 28.4 90.6 62 63 A R E - C 0 195B 76 -2,-0.3 -15,-2.9 133,-0.2 -14,-0.5 -0.945 35.6-177.4-104.1 114.3 23.5 26.7 92.3 63 64 A L E -BC 46 194B 1 131,-2.9 131,-2.7 -2,-0.6 -17,-0.2 -0.782 33.1-141.3-121.1 156.5 24.7 24.1 89.9 64 65 A R - 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