==== 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) 16-JAN-90 6ACN . COMPND 2 MOLECULE: ACONITASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR A.H.ROBBINS,C.D.STOUT . 754 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 69.1 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 . 2 0.3 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 . 50 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 12.6 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 . 19 2.5 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 3 3 6 2 1 0 0 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 5 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 . 9 5 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 . 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 1 A X 0 0 55 0, 0.0 16,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-170.8 62.9 9.8 23.2 2 2 A R + 0 0 185 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.775 360.0 62.6-101.0 -40.9 63.1 6.0 23.9 3 3 A A S S- 0 0 39 13,-0.1 2,-0.1 1,-0.1 16,-0.1 -0.288 74.7-158.3 -66.6 162.8 62.0 6.8 27.5 4 4 A K + 0 0 118 2,-0.1 2,-0.5 -2,-0.0 13,-0.1 -0.471 30.8 149.5-150.2 65.5 58.5 8.4 27.8 5 5 A V - 0 0 27 11,-0.3 11,-2.4 -2,-0.1 -2,-0.0 -0.910 43.6-121.9-108.3 124.5 58.4 10.2 31.1 6 6 A A B -A 15 0A 19 -2,-0.5 9,-0.3 9,-0.3 3,-0.1 -0.301 13.0-123.2 -70.7 152.9 56.2 13.4 31.3 7 7 A M S S- 0 0 7 7,-2.9 2,-0.3 4,-0.6 -1,-0.1 0.782 87.1 -30.0 -56.2 -36.7 57.5 16.8 32.2 8 8 A S - 0 0 8 3,-0.5 3,-0.4 6,-0.3 6,-0.2 -0.926 69.7 -87.7-164.1-179.3 55.0 16.9 35.1 9 9 A H S S+ 0 0 133 -2,-0.3 145,-0.1 144,-0.2 -2,-0.0 0.572 122.2 58.1 -73.6 -16.0 51.5 15.7 36.1 10 10 A F S S+ 0 0 39 1,-0.2 -1,-0.2 143,-0.1 3,-0.0 0.665 113.1 37.1 -96.2 -11.4 49.9 18.7 34.4 11 11 A E > + 0 0 14 -3,-0.4 3,-1.8 3,-0.1 -4,-0.6 -0.579 67.5 165.2-136.5 74.8 51.4 17.9 31.0 12 12 A P T 3 S+ 0 0 82 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 0.554 76.4 51.4 -68.8 -6.2 51.3 14.1 30.7 13 13 A H T 3 S+ 0 0 116 -7,-0.1 2,-0.6 2,-0.1 -8,-0.0 0.212 89.8 83.6-115.7 -2.2 51.9 14.2 27.0 14 14 A E S < S- 0 0 77 -3,-1.8 -7,-2.9 -6,-0.2 -6,-0.3 -0.984 70.5-159.3-115.9 115.1 54.9 16.4 27.0 15 15 A Y B -A 6 0A 85 -2,-0.6 -9,-0.3 -9,-0.3 2,-0.1 -0.790 21.6-102.4-110.3 150.7 58.0 14.3 27.7 16 16 A I - 0 0 7 -11,-2.4 2,-0.6 -2,-0.3 -11,-0.3 -0.392 28.3-150.2 -66.1 131.4 61.5 15.1 29.0 17 17 A R > + 0 0 103 1,-0.2 4,-1.6 -2,-0.1 3,-0.2 -0.511 41.5 142.6-107.0 72.1 64.1 15.2 26.3 18 18 A Y H > S+ 0 0 6 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.675 73.9 63.9 -77.2 -18.4 67.5 14.2 27.8 19 19 A D H > S+ 0 0 28 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 107.0 43.7 -66.2 -40.8 68.4 12.3 24.5 20 20 A L H > S+ 0 0 68 2,-0.2 4,-2.7 3,-0.2 -2,-0.2 0.877 111.9 51.9 -71.1 -42.2 68.2 15.8 22.8 21 21 A L H X S+ 0 0 5 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.984 114.1 45.4 -52.0 -60.5 70.2 17.4 25.6 22 22 A E H X S+ 0 0 63 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.837 111.0 51.4 -55.1 -42.4 72.8 14.7 25.2 23 23 A K H X S+ 0 0 135 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.955 115.7 42.1 -65.3 -41.8 72.9 14.9 21.4 24 24 A N H X S+ 0 0 12 -4,-2.7 4,-2.6 21,-0.3 -2,-0.2 0.871 112.2 53.6 -73.0 -33.6 73.4 18.7 21.6 25 25 A I H X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.903 112.8 46.1 -61.0 -41.0 75.9 18.5 24.5 26 26 A D H X S+ 0 0 70 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.858 109.9 50.6 -76.1 -40.5 77.9 16.1 22.4 27 27 A I H X S+ 0 0 46 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.989 118.3 41.2 -52.7 -56.8 77.7 18.1 19.2 28 28 A V H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-1.6 0.897 108.3 59.8 -55.4 -52.4 79.0 21.1 21.2 29 29 A R H 3X S+ 0 0 56 -4,-3.1 4,-2.2 1,-0.3 5,-0.4 0.937 106.0 49.1 -44.5 -54.9 81.5 19.2 23.2 30 30 A K H 3< S+ 0 0 124 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.580 110.0 48.6 -71.9 -11.0 83.2 18.2 20.0 31 31 A R H << S+ 0 0 102 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.864 118.8 41.3 -86.5 -39.1 83.4 21.7 18.5 32 32 A L H < S- 0 0 44 -4,-2.8 -2,-0.2 2,-0.1 -3,-0.2 0.742 84.8-157.0 -77.0 -29.2 84.8 23.1 21.7 33 33 A N < + 0 0 138 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.1 0.901 58.3 90.7 48.5 51.8 87.3 20.3 22.8 34 34 A R S S- 0 0 80 -5,-0.4 -1,-0.1 272,-0.0 2,-0.1 -0.969 87.1 -82.0-158.4 159.6 87.3 21.2 26.5 35 35 A P - 0 0 51 0, 0.0 271,-0.5 0, 0.0 2,-0.3 -0.454 45.7-140.1 -62.6 141.1 85.3 20.1 29.6 36 36 A L - 0 0 0 269,-0.2 266,-2.2 -2,-0.1 269,-0.1 -0.751 11.2-123.2-102.2 147.9 82.0 22.0 30.0 37 37 A T > - 0 0 0 -2,-0.3 4,-2.7 264,-0.2 5,-0.1 -0.379 36.2-101.3 -74.8 173.9 80.6 23.3 33.3 38 38 A L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.944 125.8 49.3 -62.2 -48.0 77.1 22.0 34.3 39 39 A S H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.779 109.9 52.1 -65.6 -25.3 75.5 25.3 33.2 40 40 A E H >>S+ 0 0 3 3,-0.2 4,-2.6 2,-0.2 5,-0.6 0.973 110.1 49.7 -70.3 -50.8 77.4 25.1 29.9 41 41 A K H X5S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.912 117.9 37.6 -51.1 -50.1 76.0 21.5 29.5 42 42 A I H <5S+ 0 0 1 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.919 122.1 44.1 -72.9 -38.8 72.3 22.5 30.2 43 43 A V H ><5S+ 0 0 3 -4,-1.9 3,-2.3 -5,-0.3 -3,-0.2 0.993 120.0 38.2 -68.9 -59.4 72.6 25.9 28.3 44 44 A Y H ><5S+ 0 0 4 -4,-2.6 3,-1.6 -5,-0.3 -3,-0.2 0.858 108.3 65.8 -63.3 -28.0 74.4 24.6 25.2 45 45 A G T 3< + 0 0 69 14,-0.5 4,-3.1 1,-0.1 -1,-0.3 -0.676 68.7 171.5-136.7 82.0 71.5 25.1 16.3 50 50 A P T 4 S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.806 79.0 57.2 -62.8 -32.9 74.4 23.5 18.3 51 51 A A T 4 S+ 0 0 54 1,-0.1 -2,-0.1 -20,-0.0 -27,-0.0 0.927 120.9 25.8 -65.1 -43.2 76.5 22.8 15.2 52 52 A N T 4 S+ 0 0 112 -3,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.735 88.5 114.7 -98.7 -24.8 76.5 26.5 14.0 53 53 A Q < - 0 0 7 -4,-3.1 2,-0.5 1,-0.1 9,-0.1 -0.229 63.9-133.3 -47.4 129.0 76.0 28.5 17.2 54 54 A E - 0 0 108 7,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.705 24.4-158.2 -83.9 118.7 79.1 30.6 17.9 55 55 A I + 0 0 24 -2,-0.5 2,-0.4 7,-0.1 6,-0.0 -0.846 27.8 146.9-112.1 110.2 79.9 30.1 21.6 56 56 A E >> - 0 0 95 -2,-0.6 4,-2.3 145,-0.0 3,-2.0 -0.964 46.9-118.1-142.6 121.7 82.0 32.7 23.6 57 57 A R T 34 S+ 0 0 35 -2,-0.4 144,-0.2 1,-0.3 142,-0.1 -0.382 98.6 1.5 -68.6 132.9 81.4 33.5 27.2 58 58 A G T 34 S+ 0 0 23 141,-2.9 -1,-0.3 177,-0.2 143,-0.1 0.393 131.7 65.5 69.3 7.9 80.4 37.1 27.8 59 59 A K T <4 S+ 0 0 130 -3,-2.0 -2,-0.2 1,-0.1 -1,-0.1 0.716 82.9 55.5-126.8 -55.4 80.5 37.6 24.1 60 60 A T S < S- 0 0 23 -4,-2.3 139,-3.1 138,-0.1 2,-0.8 -0.498 71.6-123.1 -91.1 157.4 78.0 35.8 21.8 61 61 A Y E - C 0 198B 36 137,-0.3 137,-0.3 -2,-0.1 2,-0.2 -0.850 29.8-142.2 -93.9 112.5 74.1 35.8 22.0 62 62 A L E - C 0 197B 0 135,-3.2 135,-2.3 -2,-0.8 2,-0.6 -0.574 1.6-143.0 -73.3 141.1 73.0 32.3 22.4 63 63 A R E + C 0 196B 82 133,-0.2 -15,-2.3 -2,-0.2 -14,-0.5 -0.955 34.7 177.1-113.2 105.3 69.8 31.3 20.6 64 64 A L E -BC 47 195B 0 131,-3.0 131,-2.2 -2,-0.6 -17,-0.2 -0.579 34.9-138.5-117.9 168.4 68.0 28.9 22.9 65 65 A R - 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0 0 41 -5,-0.5 -1,-0.3 1,-0.1 3,-0.1 -0.211 45.9-133.8 -64.7 149.0 49.1 33.7 17.6 89 89 A P S S- 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.854 74.1 -7.1 -74.3 -37.6 46.5 31.0 18.4 90 90 A K S S- 0 0 99 100,-0.1 2,-0.2 101,-0.1 45,-0.2 -0.940 82.4 -86.8-155.8 162.7 47.9 29.1 21.3 91 91 A V - 0 0 3 43,-2.5 100,-0.2 -2,-0.3 99,-0.1 -0.559 28.9-141.3 -80.2 152.5 51.2 29.0 23.2 92 92 A A S S+ 0 0 60 98,-3.0 98,-0.1 -2,-0.2 99,-0.1 0.482 77.8 31.9 -96.7 -7.6 54.1 26.8 21.9 93 93 A V S S- 0 0 30 97,-0.1 -25,-0.2 -24,-0.0 -24,-0.1 -0.941 106.8 -70.1-136.1 159.1 55.8 25.3 25.0 94 94 A P - 0 0 12 0, 0.0 -25,-2.1 0, 0.0 2,-0.4 -0.299 61.7-176.7 -47.2 121.2 54.2 24.3 28.5 95 95 A S E -e 69 0C 3 40,-0.5 42,-2.7 -27,-0.2 2,-0.3 -0.962 10.9-171.4-126.7 143.1 53.2 27.7 30.2 96 96 A T E -ef 70 137C 0 -27,-1.9 -25,-2.1 -2,-0.4 2,-0.4 -0.931 13.0-151.0-131.6 156.3 51.7 28.5 33.6 97 97 A I E -ef 71 138C 0 40,-2.3 42,-2.8 -2,-0.3 2,-0.4 -0.956 13.8-164.5-119.1 138.2 50.3 31.6 35.4 98 98 A H E -ef 72 139C 0 -27,-1.2 -25,-2.2 -2,-0.4 2,-0.9 -0.981 13.3-142.4-123.9 137.2 50.5 31.8 39.3 99 99 A C + 0 0 0 40,-0.8 43,-1.0 -2,-0.4 45,-0.3 -0.767 58.0 113.2-108.1 92.7 48.4 34.3 41.3 100 100 A D > + 0 0 0 -2,-0.9 321,-0.8 41,-0.1 322,-0.7 0.567 56.8 67.1-129.6 -21.4 50.6 35.5 44.1 101 101 A H T 3 S+ 0 0 12 -3,-0.3 -2,-0.1 1,-0.2 476,-0.1 0.679 92.6 56.0 -89.8 -12.1 51.4 39.2 43.7 102 102 A L T 3 S+ 0 0 8 2,-0.1 2,-0.7 475,-0.0 -1,-0.2 0.146 78.5 100.8-105.5 19.7 47.9 41.0 44.2 103 103 A I < - 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0 0 29 0, 0.0 -264,-0.2 0, 0.0 -2,-0.1 -0.481 46.6-105.4 -71.7 150.2 80.0 19.4 35.7 302 302 A D > - 0 0 13 -266,-2.2 3,-1.3 1,-0.1 2,-0.1 -0.430 46.5 -88.7 -66.7 153.1 82.7 17.7 33.7 303 303 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -267,-0.0 -0.445 113.6 9.7 -52.7 130.8 85.9 17.0 35.6 304 304 A G T 3 S+ 0 0 70 1,-0.2 2,-0.1 -2,-0.1 -267,-0.1 0.808 85.0 162.1 63.5 30.5 88.2 20.0 35.3 305 305 A C < - 0 0 19 -3,-1.3 2,-0.6 -269,-0.1 -269,-0.2 -0.458 40.2-111.0 -73.6 164.1 85.6 22.3 33.7 306 306 A H - 0 0 111 -271,-0.5 2,-0.4 -2,-0.1 -104,-0.2 -0.827 24.5-163.7-117.1 121.7 86.7 26.0 34.0 307 307 A Y - 0 0 26 -2,-0.6 -104,-0.2 1,-0.1 3,-0.1 -0.666 22.0-137.5 -96.0 137.3 85.2 28.6 36.1 308 308 A D S S+ 0 0 63 -106,-1.8 2,-0.2 -2,-0.4 -105,-0.2 0.505 93.5 6.9 -73.3 -1.6 86.0 32.3 35.3 309 309 A Q E S-l 203 0F 92 -107,-0.6 -105,-3.0 2,-0.0 2,-0.4 -0.784 72.1-149.4-173.2 136.2 86.3 32.8 39.1 310 310 A V E -l 204 0F 80 -2,-0.2 2,-0.4 -107,-0.2 -105,-0.2 -0.954 6.6-170.0-122.5 134.9 86.2 30.5 42.0 311 311 A I E -l 205 0F 12 -107,-2.8 -105,-2.8 -2,-0.4 2,-0.5 -0.973 13.0-154.3-119.5 130.2 84.9 31.3 45.6 312 312 A E E -l 206 0F 133 -2,-0.4 2,-0.5 -107,-0.2 -105,-0.2 -0.944 12.6-176.0-113.0 122.6 85.6 28.6 48.3 313 313 A I E -l 207 0F 9 -107,-2.8 -105,-1.9 -2,-0.5 2,-0.9 -0.978 18.6-146.7-129.6 129.0 83.3 28.4 51.3 314 314 A N E >> -l 208 0F 51 -2,-0.5 4,-1.0 -107,-0.2 3,-1.0 -0.830 5.3-165.1 -92.8 103.3 83.7 26.2 54.3 315 315 A L T 34 S+ 0 0 1 -107,-2.9 -103,-0.4 -2,-0.9 3,-0.3 0.839 87.4 59.7 -57.7 -32.1 80.3 25.2 55.6 316 316 A S T 34 S+ 0 0 60 -108,-0.5 -1,-0.2 1,-0.2 -107,-0.1 0.757 108.5 40.8 -72.3 -27.5 81.9 23.9 58.8 317 317 A E T <4 S+ 0 0 147 -3,-1.0 -1,-0.2 2,-0.0 -2,-0.2 0.611 94.9 110.6 -85.9 -14.5 83.4 27.3 59.8 318 318 A L < - 0 0 12 -4,-1.0 -106,-0.2 -3,-0.3 -103,-0.2 -0.320 45.5-177.6 -70.6 142.4 80.2 29.1 58.7 319 319 A K - 0 0 73 -100,-0.1 -106,-0.1 -105,-0.1 -2,-0.0 -0.912 37.7 -62.4-139.0 160.6 78.0 30.7 61.3 320 320 A P - 0 0 1 0, 0.0 14,-2.8 0, 0.0 15,-0.4 -0.029 51.4-166.6 -52.6 141.0 74.7 32.6 61.2 321 321 A H B -N 333 0G 16 12,-0.3 2,-0.4 13,-0.1 144,-0.3 -0.879 17.9-162.6-128.0 155.3 74.4 35.9 59.3 322 322 A I - 0 0 0 10,-2.0 10,-0.4 -2,-0.3 2,-0.4 -0.986 19.4-153.2-139.3 122.7 72.0 38.8 59.0 323 323 A N B -O 463 0H 0 140,-2.1 140,-1.5 -2,-0.4 8,-0.2 -0.840 36.3 -23.7-105.6 140.4 72.4 41.1 56.0 324 324 A G - 0 0 0 6,-2.7 138,-0.1 -2,-0.4 -2,-0.1 -0.552 16.6-145.8 117.5 178.3 71.4 44.7 55.8 325 325 A P S S+ 0 0 2 0, 0.0 136,-1.1 0, 0.0 -1,-0.1 -0.739 108.0 4.8-104.7 5.6 69.9 47.1 56.7 326 326 A F S S+ 0 0 61 1,-0.3 124,-0.4 134,-0.1 136,-0.1 0.552 127.5 31.6-126.3 7.0 69.6 48.7 53.2 327 327 A T S > S- 0 0 32 122,-0.2 3,-0.6 134,-0.1 -1,-0.3 -0.955 75.8-119.7-142.2 153.0 71.2 46.2 50.8 328 328 A P T 3 S+ 0 0 0 0, 0.0 -102,-0.1 0, 0.0 -99,-0.1 0.393 106.0 60.5 -67.2 1.3 71.4 42.4 50.7 329 329 A D T 3 + 0 0 31 -104,-0.1 2,-1.5 -6,-0.1 -100,-0.1 0.560 63.6 99.3-119.6 -8.6 75.2 42.5 50.8 330 330 A L < - 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