==== 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 1AMI . 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) . 25345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 69.3 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 . 49 6.5 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 . 16 2.1 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 . 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 0 172 0, 0.0 2,-0.2 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0-135.8 24.4 1.4 88.0 2 3 A A - 0 0 30 13,-0.1 2,-0.5 2,-0.1 12,-0.0 -0.458 360.0-142.2 -84.8 154.2 26.2 1.2 84.7 3 4 A K + 0 0 140 -2,-0.2 2,-0.5 11,-0.1 13,-0.1 -0.823 37.7 157.9-120.8 84.1 29.9 2.3 84.8 4 5 A V - 0 0 20 -2,-0.5 11,-2.6 11,-0.3 2,-0.1 -0.959 38.6-125.6-113.3 122.7 30.1 4.1 81.5 5 6 A A B -A 14 0A 20 -2,-0.5 9,-0.3 9,-0.2 3,-0.1 -0.391 11.2-124.5 -70.5 150.6 33.0 6.5 81.3 6 7 A M S S- 0 0 8 7,-2.6 2,-0.3 4,-0.5 -1,-0.1 0.736 86.9 -15.8 -64.5 -28.4 32.5 10.2 80.4 7 8 A S S > S- 0 0 4 3,-0.5 3,-1.0 6,-0.3 6,-0.2 -0.978 72.7 -92.4-161.5 176.7 35.1 9.9 77.6 8 9 A H T 3 S+ 0 0 112 144,-0.3 145,-0.1 -2,-0.3 -2,-0.0 0.649 122.0 52.6 -69.2 -16.1 37.9 7.8 76.2 9 10 A F T 3 S+ 0 0 48 1,-0.2 -1,-0.3 143,-0.2 3,-0.1 0.559 108.2 48.0-100.0 -10.1 40.4 9.8 78.1 10 11 A E X + 0 0 11 -3,-1.0 3,-2.1 3,-0.1 -4,-0.5 -0.588 62.2 168.6-130.7 74.9 38.8 9.5 81.6 11 12 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 0.647 78.0 47.2 -67.9 -10.9 38.1 5.8 82.0 12 13 A H T 3 S+ 0 0 99 -3,-0.1 2,-0.6 -7,-0.1 -8,-0.0 0.095 87.9 89.9-115.7 3.6 37.3 6.2 85.7 13 14 A E < - 0 0 70 -3,-2.1 -7,-2.6 -6,-0.2 -6,-0.3 -0.970 69.1-156.0-106.3 112.5 34.9 9.2 85.5 14 15 A Y B -A 5 0A 83 -2,-0.6 -9,-0.2 -9,-0.3 2,-0.2 -0.694 19.0-110.2-100.0 149.6 31.4 7.8 85.1 15 16 A I - 0 0 8 -11,-2.6 2,-0.5 -2,-0.3 -11,-0.3 -0.525 28.3-150.3 -67.9 132.2 28.3 9.3 83.6 16 17 A R > + 0 0 128 -2,-0.2 4,-1.9 1,-0.2 3,-0.2 -0.464 42.3 144.2-110.4 61.2 25.8 9.9 86.5 17 18 A Y H > S+ 0 0 7 -2,-0.5 4,-2.6 2,-0.2 5,-0.2 0.776 73.8 63.3 -68.2 -20.4 22.4 9.6 84.9 18 19 A D H > S+ 0 0 49 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.921 105.3 45.7 -65.5 -42.8 21.2 8.0 88.2 19 20 A L H > S+ 0 0 69 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 111.1 52.2 -62.5 -49.2 22.0 11.3 89.9 20 21 A L H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.940 112.1 46.1 -56.6 -47.8 20.2 13.2 87.1 21 22 A E H X S+ 0 0 74 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.944 111.1 51.6 -62.1 -49.2 17.1 11.1 87.5 22 23 A K H X S+ 0 0 106 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.873 113.6 44.3 -55.3 -43.1 17.1 11.3 91.3 23 24 A N H X S+ 0 0 10 -4,-2.2 4,-2.2 21,-0.2 -1,-0.2 0.914 110.7 53.0 -72.0 -41.1 17.4 15.1 91.1 24 25 A I H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.872 110.5 50.3 -56.4 -43.2 14.7 15.5 88.4 25 26 A D H X S+ 0 0 48 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.866 107.5 50.6 -72.2 -33.5 12.4 13.5 90.5 26 27 A I H X S+ 0 0 54 -4,-1.7 4,-1.1 -5,-0.2 -2,-0.2 0.945 115.6 45.3 -61.3 -44.1 13.0 15.5 93.7 27 28 A V H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.920 109.7 50.7 -68.2 -45.2 12.3 18.7 91.6 28 29 A R H 3X S+ 0 0 55 -4,-2.8 4,-2.6 1,-0.3 5,-0.3 0.849 106.0 57.5 -71.2 -22.3 9.1 17.6 89.7 29 30 A K H 3< S+ 0 0 126 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.815 111.6 43.8 -69.7 -29.3 7.6 16.4 93.1 30 31 A R H << S+ 0 0 98 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.881 122.5 35.2 -78.8 -39.6 8.0 20.0 94.2 31 32 A L H < S- 0 0 44 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.790 81.1-158.1 -89.7 -27.7 6.8 21.7 91.0 32 33 A N < + 0 0 138 -4,-2.6 -3,-0.1 -5,-0.2 -4,-0.1 0.914 57.7 96.9 49.3 51.7 4.1 19.3 89.9 33 34 A R S S- 0 0 84 -5,-0.3 -1,-0.2 271,-0.0 -2,-0.1 -0.969 84.8 -81.6-155.5 159.6 4.2 20.5 86.3 34 35 A P - 0 0 51 0, 0.0 271,-0.4 0, 0.0 2,-0.4 -0.343 43.9-140.6 -62.8 148.1 5.9 19.2 83.1 35 36 A L - 0 0 0 269,-0.1 266,-2.3 -2,-0.1 269,-0.2 -0.856 10.0-125.0-111.8 140.3 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 -0.296 35.3-103.5 -70.1 172.1 11.1 21.3 79.4 37 38 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.920 123.9 51.2 -63.1 -39.5 14.3 19.4 78.4 38 39 A S H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.891 109.0 51.9 -69.8 -33.8 16.6 22.2 79.5 39 40 A E H > S+ 0 0 4 2,-0.2 4,-2.4 3,-0.2 5,-0.5 0.901 107.7 52.6 -65.8 -40.1 14.8 22.3 82.9 40 41 A K H X S+ 0 0 3 -4,-2.1 4,-2.0 3,-0.2 -2,-0.2 0.970 116.1 38.4 -60.0 -47.6 15.4 18.5 83.2 41 42 A I H < S+ 0 0 0 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.940 121.3 43.1 -73.5 -41.6 19.1 18.8 82.6 42 43 A V H >< S+ 0 0 1 -4,-2.6 3,-1.8 -5,-0.3 -3,-0.2 0.980 119.7 40.4 -68.6 -51.6 19.7 22.0 84.4 43 44 A Y H >< S+ 0 0 3 -4,-2.4 3,-1.7 -5,-0.3 -2,-0.2 0.870 107.8 64.1 -70.0 -25.0 17.6 21.2 87.5 44 45 A G T 3< S+ 0 0 3 -4,-2.0 -1,-0.3 -5,-0.5 -21,-0.2 0.653 102.5 51.5 -67.5 -13.4 18.9 17.6 87.4 45 46 A H T < S+ 0 0 20 -3,-1.8 19,-2.5 -4,-0.4 -1,-0.3 0.117 81.2 133.8-108.5 18.5 22.4 19.2 88.2 46 47 A L B < -B 63 0B 5 -3,-1.7 17,-0.3 17,-0.2 -3,-0.0 -0.446 55.8-140.8 -71.0 142.6 21.3 21.3 91.2 47 48 A D S S+ 0 0 71 15,-2.7 -1,-0.1 1,-0.3 16,-0.1 0.871 100.2 17.1 -66.2 -38.0 23.5 21.2 94.3 48 49 A D >> + 0 0 56 14,-0.5 4,-2.7 1,-0.1 3,-0.9 -0.615 67.9 171.5-137.6 76.7 20.4 21.2 96.5 49 50 A P T 34 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.801 78.3 58.1 -62.6 -23.3 17.3 20.1 94.5 50 51 A A T 34 S+ 0 0 49 1,-0.1 -2,-0.0 3,-0.0 -27,-0.0 0.831 120.6 23.2 -75.4 -30.4 15.2 19.9 97.7 51 52 A N T <4 S+ 0 0 110 -3,-0.9 -1,-0.1 2,-0.1 0, 0.0 0.677 87.4 119.4-114.0 -19.2 15.7 23.5 98.8 52 53 A Q < - 0 0 0 -4,-2.7 2,-0.4 1,-0.1 9,-0.1 -0.266 62.5-129.6 -52.3 128.3 16.6 25.4 95.7 53 54 A E - 0 0 89 7,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.635 28.6-164.8 -74.8 128.2 14.2 28.3 94.9 54 55 A I + 0 0 27 -2,-0.4 2,-0.4 7,-0.0 6,-0.0 -0.929 26.6 144.1-129.2 104.6 13.2 27.8 91.2 55 56 A E >> - 0 0 106 -2,-0.5 3,-2.3 4,-0.0 4,-1.8 -0.946 51.2-115.4-139.2 120.6 11.5 30.6 89.3 56 57 A R T 34 S+ 0 0 36 -2,-0.4 144,-0.2 1,-0.3 142,-0.1 -0.269 100.0 7.4 -55.1 132.4 12.4 31.1 85.6 57 58 A G T 34 S+ 0 0 23 141,-2.6 -1,-0.3 177,-0.2 143,-0.1 0.380 128.7 61.4 76.6 -0.5 14.1 34.5 85.0 58 59 A K T <4 S+ 0 0 131 -3,-2.3 -2,-0.2 141,-0.1 2,-0.1 0.819 81.8 60.1-128.3 -47.0 14.3 35.2 88.8 59 60 A T < - 0 0 24 -4,-1.8 139,-3.3 138,-0.1 2,-0.6 -0.491 69.8-123.0 -92.1 158.3 16.3 32.9 91.1 60 61 A Y E - C 0 197B 32 137,-0.3 2,-0.3 -2,-0.1 137,-0.3 -0.873 27.8-145.9 -96.3 121.7 20.0 32.0 91.0 61 62 A L E - C 0 196B 0 135,-3.3 135,-2.2 -2,-0.6 2,-0.6 -0.711 4.2-140.6 -85.2 140.6 20.5 28.3 90.7 62 63 A R E - C 0 195B 61 -2,-0.3 -15,-2.7 133,-0.2 -14,-0.5 -0.955 35.0-176.7-104.3 112.8 23.5 26.6 92.4 63 64 A L E -BC 46 194B 1 131,-3.0 131,-2.6 -2,-0.6 -17,-0.2 -0.744 31.0-142.1-117.6 154.9 24.7 24.0 89.9 64 65 A R - 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0 0 5 -4,-0.7 -106,-0.3 -3,-0.3 -103,-0.2 -0.430 48.9-168.6 -72.3 135.3 13.0 27.6 54.4 318 319 A K - 0 0 72 -2,-0.1 -103,-0.1 -100,-0.1 -2,-0.1 -0.857 36.2 -67.2-119.6 161.4 15.3 28.8 51.6 319 320 A P - 0 0 4 0, 0.0 14,-2.2 0, 0.0 15,-0.3 -0.149 53.7-164.2 -50.1 137.1 19.1 29.8 51.7 320 321 A H E -N 332 0G 20 12,-0.3 144,-0.4 13,-0.1 2,-0.3 -0.773 16.8-165.7-121.6 163.3 20.0 32.9 53.8 321 322 A I E -N 331 0G 0 10,-2.4 10,-1.6 -2,-0.3 2,-0.4 -0.953 17.8-155.5-146.0 126.4 23.0 35.1 54.1 322 323 A N E -NO 330 462G 0 140,-2.8 140,-2.4 -2,-0.3 8,-0.2 -0.848 30.2 -13.6-114.0 148.4 23.3 37.5 57.0 323 324 A G - 0 0 0 6,-2.5 2,-0.2 -2,-0.4 138,-0.2 -0.629 17.2-148.7 125.6-177.8 25.1 40.8 57.5 324 325 A P S S- 0 0 7 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.588 105.2 -7.7-101.7 173.5 27.1 43.0 56.9 325 326 A F S S+ 0 0 60 122,-0.8 124,-0.4 -2,-0.2 122,-0.1 -0.181 128.9 44.4 74.7 -40.0 27.9 44.2 60.5 326 327 A T S > S- 0 0 33 -2,-1.0 3,-0.6 122,-0.1 120,-0.0 -0.970 72.8-133.8-137.7 144.7 25.5 42.2 62.6 327 328 A P T 3 S+ 0 0 1 0, 0.0 -102,-0.1 0, 0.0 -103,-0.1 0.546 100.0 62.6 -76.9 -9.5 24.5 38.6 62.4 328 329 A D T 3 S+ 0 0 34 -104,-0.1 2,-1.6 -67,-0.1 -100,-0.1 0.493 70.3 100.3 -97.7 1.5 20.7 39.3 62.7 329 330 A L < - 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