==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(CARBON-OXYGEN) 15-MAY-91 7ACN . COMPND 2 MOLECULE: ACONITASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR H.LAUBLE,M.C.KENNEDY,H.BEINERT,C.D.STOUT . 753 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25353.0 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 . 82 10.9 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 . 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 . 54 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 24.0 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 4 5 3 2 1 0 2 2 0 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 . 6 5 2 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 2 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 0 184 0, 0.0 2,-0.2 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0-134.3 24.2 1.6 87.8 2 3 A A - 0 0 44 13,-0.1 2,-0.5 2,-0.0 12,-0.0 -0.466 360.0-138.4 -75.2 152.5 26.1 1.2 84.5 3 4 A K + 0 0 142 -2,-0.2 2,-0.5 11,-0.1 13,-0.1 -0.777 40.2 156.4-115.5 80.2 29.8 2.2 84.5 4 5 A V - 0 0 20 -2,-0.5 11,-2.5 11,-0.3 2,-0.1 -0.933 39.7-125.5-108.6 123.4 30.0 4.0 81.2 5 6 A A B -A 14 0A 20 -2,-0.5 9,-0.3 9,-0.2 3,-0.1 -0.375 10.7-124.6 -70.4 150.8 32.9 6.5 81.1 6 7 A M S S- 0 0 9 7,-2.8 2,-0.3 4,-0.5 -1,-0.1 0.745 87.8 -15.1 -65.9 -28.1 32.4 10.2 80.1 7 8 A S S > S- 0 0 2 3,-0.5 3,-0.8 6,-0.3 6,-0.2 -0.983 72.6 -93.9-161.5 175.4 35.0 9.9 77.4 8 9 A H T 3 S+ 0 0 116 144,-0.3 145,-0.1 -2,-0.3 -2,-0.0 0.687 121.1 53.8 -68.0 -18.6 37.8 7.7 76.0 9 10 A F T 3 S+ 0 0 46 1,-0.2 -1,-0.2 143,-0.2 3,-0.1 0.572 109.2 46.2 -95.7 -12.4 40.4 9.8 78.0 10 11 A E X + 0 0 12 -3,-0.8 3,-2.2 3,-0.1 -4,-0.5 -0.577 63.4 168.8-131.0 77.7 38.7 9.5 81.4 11 12 A P T 3 S+ 0 0 88 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.633 78.1 48.5 -68.6 -12.1 37.9 5.8 81.7 12 13 A H T 3 S+ 0 0 102 -3,-0.1 2,-0.7 -7,-0.1 -8,-0.0 0.250 86.9 90.6-108.6 -7.9 37.1 6.1 85.4 13 14 A E < - 0 0 70 -3,-2.2 -7,-2.8 -6,-0.2 -6,-0.3 -0.912 68.6-156.6 -98.1 113.7 34.8 9.2 85.3 14 15 A Y B -A 5 0A 85 -2,-0.7 -9,-0.2 -9,-0.3 2,-0.2 -0.723 19.0-111.5 -99.5 145.7 31.3 7.7 84.8 15 16 A I - 0 0 6 -11,-2.5 2,-0.6 -2,-0.3 -11,-0.3 -0.509 26.9-151.4 -65.7 128.2 28.1 9.3 83.4 16 17 A R > + 0 0 130 -2,-0.2 4,-1.6 1,-0.2 3,-0.1 -0.600 40.3 146.6-104.1 66.6 25.7 9.7 86.2 17 18 A Y H > S+ 0 0 6 -2,-0.6 4,-2.7 2,-0.2 5,-0.2 0.824 74.6 63.0 -72.2 -22.7 22.3 9.5 84.5 18 19 A D H > S+ 0 0 33 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 104.2 46.7 -60.7 -42.2 21.1 7.9 87.8 19 20 A L H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.4 51.1 -64.0 -46.8 21.9 11.2 89.6 20 21 A L H X S+ 0 0 8 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.945 111.4 47.6 -55.8 -51.5 20.2 13.1 86.8 21 22 A E H X S+ 0 0 55 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.941 111.2 51.8 -56.0 -50.6 17.0 11.0 87.2 22 23 A K H X S+ 0 0 99 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.832 112.5 44.1 -55.8 -43.1 17.1 11.3 90.9 23 24 A N H X S+ 0 0 13 -4,-2.0 4,-2.3 21,-0.2 -1,-0.2 0.919 110.9 53.1 -75.1 -40.1 17.3 15.1 90.8 24 25 A I H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.887 109.7 50.8 -57.1 -44.0 14.6 15.5 88.1 25 26 A D H X S+ 0 0 67 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.912 108.9 49.4 -67.1 -38.6 12.3 13.5 90.2 26 27 A I H X S+ 0 0 51 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.961 116.2 43.9 -61.3 -46.2 12.9 15.5 93.3 27 28 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-0.9 0.906 110.3 51.7 -67.8 -44.9 12.2 18.8 91.4 28 29 A R H 3X S+ 0 0 65 -4,-3.0 4,-3.0 1,-0.3 5,-0.3 0.892 105.9 58.1 -68.2 -29.1 9.2 17.7 89.4 29 30 A K H 3< S+ 0 0 131 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.777 111.0 43.1 -60.1 -30.0 7.6 16.6 92.8 30 31 A R H << S+ 0 0 100 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.864 121.8 37.0 -84.0 -37.7 8.0 20.1 93.9 31 32 A L H < S- 0 0 42 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.787 82.3-156.1 -91.9 -27.3 6.8 21.8 90.8 32 33 A N < + 0 0 134 -4,-3.0 -3,-0.1 -5,-0.2 -4,-0.1 0.920 58.5 94.3 52.2 51.3 4.0 19.5 89.7 33 34 A R S S- 0 0 86 -5,-0.3 -1,-0.2 271,-0.0 -2,-0.1 -0.970 84.8 -76.8-159.6 160.0 4.2 20.5 86.1 34 35 A P - 0 0 52 0, 0.0 271,-0.5 0, 0.0 2,-0.4 -0.365 44.2-143.3 -59.7 141.4 5.8 19.4 82.8 35 36 A L - 0 0 0 269,-0.1 266,-2.4 -2,-0.1 269,-0.2 -0.867 9.7-127.4-107.8 136.9 9.5 20.3 82.4 36 37 A T > - 0 0 0 -2,-0.4 4,-2.1 264,-0.2 5,-0.1 -0.329 34.3-103.4 -69.8 171.4 11.1 21.3 79.2 37 38 A L H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.932 123.6 51.4 -60.6 -43.0 14.3 19.4 78.1 38 39 A S H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.919 109.4 51.4 -65.2 -36.4 16.6 22.3 79.2 39 40 A E H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.5 0.874 108.0 52.4 -66.3 -39.2 14.8 22.3 82.6 40 41 A K H X S+ 0 0 3 -4,-2.1 4,-1.8 3,-0.2 -2,-0.2 0.965 116.1 37.9 -61.3 -47.3 15.4 18.6 83.0 41 42 A I H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.948 122.1 43.0 -73.7 -42.0 19.1 18.8 82.4 42 43 A V H >< S+ 0 0 3 -4,-2.7 3,-1.9 -5,-0.3 -3,-0.2 0.980 120.2 39.7 -68.9 -55.2 19.7 22.0 84.2 43 44 A Y H >< S+ 0 0 3 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.863 108.9 63.6 -69.0 -24.9 17.5 21.3 87.3 44 45 A G T 3< S+ 0 0 3 -4,-1.8 -1,-0.3 -5,-0.5 -21,-0.2 0.659 102.6 51.2 -68.6 -11.5 18.8 17.7 87.2 45 46 A H T < S+ 0 0 20 -3,-1.9 19,-2.5 -4,-0.4 -1,-0.3 0.115 82.1 134.8-107.8 18.2 22.4 19.2 87.9 46 47 A L B < -B 63 0B 5 -3,-1.6 17,-0.2 17,-0.2 -3,-0.1 -0.428 55.6-140.8 -71.6 144.4 21.3 21.3 90.9 47 48 A D S S+ 0 0 70 15,-2.9 -1,-0.1 1,-0.3 16,-0.1 0.875 100.9 19.1 -70.6 -37.3 23.4 21.2 94.0 48 49 A D >> + 0 0 66 14,-0.5 4,-2.6 1,-0.1 3,-0.9 -0.640 68.5 172.1-133.6 76.7 20.4 21.2 96.2 49 50 A P T 34 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.869 79.7 55.5 -58.4 -32.1 17.3 20.0 94.2 50 51 A A T 34 S+ 0 0 46 1,-0.2 -2,-0.0 3,-0.0 -27,-0.0 0.799 120.6 24.7 -71.3 -29.8 15.2 19.9 97.4 51 52 A N T <4 S+ 0 0 114 -3,-0.9 -1,-0.2 2,-0.1 2,-0.0 0.679 86.9 117.4-115.9 -15.2 15.7 23.4 98.5 52 53 A Q < - 0 0 23 -4,-2.6 2,-0.5 1,-0.1 9,-0.1 -0.293 61.8-131.8 -54.7 128.3 16.6 25.4 95.4 53 54 A E - 0 0 140 7,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.741 25.4-164.3 -79.4 128.7 14.1 28.2 94.6 54 55 A I + 0 0 23 -2,-0.5 2,-0.3 5,-0.1 6,-0.0 -0.963 24.8 149.5-125.0 105.1 13.3 27.8 90.9 55 56 A E >> - 0 0 99 -2,-0.6 3,-2.5 4,-0.0 4,-1.9 -0.928 48.6-117.2-135.6 120.2 11.6 30.8 89.1 56 57 A R T 34 S+ 0 0 33 -2,-0.3 144,-0.2 1,-0.3 142,-0.1 -0.275 99.6 6.4 -59.4 133.4 12.4 31.3 85.4 57 58 A G T 34 S+ 0 0 25 141,-2.8 -1,-0.3 177,-0.2 143,-0.1 0.362 130.1 61.3 76.3 1.3 14.1 34.6 84.9 58 59 A K T <4 S+ 0 0 129 -3,-2.5 -2,-0.2 141,-0.1 2,-0.2 0.827 81.2 60.2-131.4 -41.7 14.3 35.2 88.6 59 60 A T S < S- 0 0 21 -4,-1.9 139,-3.4 140,-0.1 2,-0.6 -0.523 70.0-123.6 -95.6 157.6 16.3 32.9 90.9 60 61 A Y E - C 0 197B 41 137,-0.3 2,-0.3 -2,-0.2 137,-0.3 -0.905 27.8-144.1 -95.3 119.7 20.0 32.1 90.7 61 62 A L E - C 0 196B 0 135,-3.5 135,-2.2 -2,-0.6 2,-0.7 -0.702 2.7-141.8 -81.9 137.3 20.5 28.3 90.4 62 63 A R E - C 0 195B 84 -2,-0.3 -15,-2.9 133,-0.2 -14,-0.5 -0.932 35.3-176.3-104.4 109.3 23.5 26.7 92.2 63 64 A L E -BC 46 194B 0 131,-3.1 131,-2.6 -2,-0.7 -17,-0.2 -0.744 32.0-141.3-111.7 156.3 24.7 24.1 89.7 64 65 A R - 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