==== 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 11-NOV-98 1B0K . COMPND 2 MOLECULE: PROTEIN (ACONITASE); . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.J.LLOYD,H.LAUBLE,G.S.PRASAD,C.D.STOUT . 753 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 7.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 44 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 13.3 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 1 7 5 2 1 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 3 8 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 6 1 2 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 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 0 189 0, 0.0 15,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-137.5 24.1 1.2 87.7 2 3 A A - 0 0 52 13,-0.1 2,-0.4 288,-0.1 12,-0.0 -0.281 360.0-135.6 -74.5 165.1 26.3 0.9 84.6 3 4 A K + 0 0 149 11,-0.0 2,-0.4 2,-0.0 13,-0.1 -0.767 39.5 158.3-124.1 87.2 30.0 2.1 84.6 4 5 A V - 0 0 20 -2,-0.4 11,-1.9 11,-0.3 2,-0.2 -0.915 36.2-125.3-107.2 138.5 30.4 3.9 81.3 5 6 A A B -A 14 0A 21 -2,-0.4 9,-0.2 9,-0.2 282,-0.1 -0.577 8.0-127.8 -93.5 150.9 33.2 6.5 81.1 6 7 A M S S- 0 0 16 7,-2.7 2,-0.3 4,-0.6 -1,-0.1 0.771 85.6 -14.9 -64.0 -38.1 32.9 10.1 80.2 7 8 A S S S- 0 0 7 3,-0.6 3,-0.4 6,-0.2 6,-0.2 -0.942 70.5 -95.1-148.8-177.3 35.7 9.8 77.5 8 9 A H S S+ 0 0 126 144,-0.3 145,-0.1 -2,-0.3 -2,-0.0 0.522 123.4 49.3 -73.4 -11.8 38.5 7.7 76.2 9 10 A F S S+ 0 0 45 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.445 109.8 49.9-108.6 -8.6 41.0 9.7 78.2 10 11 A E > + 0 0 12 -3,-0.4 3,-1.6 3,-0.1 -3,-0.6 -0.600 61.5 162.0-130.1 72.7 39.0 9.5 81.6 11 12 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.574 75.7 50.7 -70.5 -3.8 38.2 5.8 82.0 12 13 A H T 3 S+ 0 0 104 -3,-0.1 2,-0.6 2,-0.1 -8,-0.0 0.237 89.8 86.5-116.4 -0.8 37.6 6.1 85.7 13 14 A E < - 0 0 66 -3,-1.6 -7,-2.7 -6,-0.2 2,-0.3 -0.932 68.3-156.8-110.2 111.7 35.1 9.1 85.5 14 15 A Y B -A 5 0A 79 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.645 19.1-112.7-101.4 152.7 31.6 7.9 85.0 15 16 A I - 0 0 12 -11,-1.9 2,-0.5 -2,-0.3 -11,-0.3 -0.542 26.6-151.3 -66.8 134.5 28.5 9.4 83.6 16 17 A R > + 0 0 131 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 -0.551 39.9 146.9-120.2 67.4 25.9 9.7 86.3 17 18 A Y H > S+ 0 0 5 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.693 75.2 64.3 -71.1 -19.1 22.5 9.5 84.7 18 19 A D H > S+ 0 0 39 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.865 104.9 42.6 -69.7 -36.4 21.4 7.8 87.9 19 20 A L H > S+ 0 0 61 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.832 111.0 55.2 -76.4 -38.0 22.0 11.1 89.8 20 21 A L H X S+ 0 0 10 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.939 111.4 46.1 -54.0 -50.5 20.4 13.2 87.0 21 22 A E H X S+ 0 0 60 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 109.0 54.6 -57.7 -52.8 17.2 11.0 87.4 22 23 A K H X S+ 0 0 105 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.844 115.2 39.0 -48.1 -44.3 17.2 11.2 91.2 23 24 A N H X S+ 0 0 13 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.822 108.9 58.3 -81.5 -40.6 17.3 15.0 91.2 24 25 A I H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 111.4 48.5 -51.0 -44.1 14.9 15.5 88.2 25 26 A D H X S+ 0 0 67 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.943 106.3 50.4 -67.0 -56.2 12.5 13.6 90.4 26 27 A I H X S+ 0 0 53 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.840 115.3 48.5 -43.4 -39.0 12.9 15.4 93.7 27 28 A V H >X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.9 0.939 104.0 53.9 -78.0 -48.1 12.3 18.6 91.7 28 29 A R H 3X S+ 0 0 66 -4,-2.6 4,-1.7 1,-0.2 5,-0.3 0.709 106.0 57.4 -64.8 -15.6 9.2 17.7 89.6 29 30 A K H 3< S+ 0 0 128 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.767 108.8 44.4 -75.6 -33.0 7.5 16.8 93.0 30 31 A R H << S+ 0 0 102 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.944 123.5 36.4 -75.1 -42.1 8.1 20.2 94.3 31 32 A L H < S- 0 0 42 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.2 0.681 82.6-156.3 -88.1 -23.7 6.9 21.9 91.1 32 33 A N < + 0 0 136 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.911 56.9 92.7 48.0 51.0 4.1 19.6 89.8 33 34 A R S S- 0 0 88 -5,-0.3 -1,-0.1 271,-0.0 2,-0.1 -0.960 85.0 -76.3-157.6 161.6 4.3 20.6 86.2 34 35 A P - 0 0 50 0, 0.0 271,-0.5 0, 0.0 2,-0.4 -0.413 44.4-146.0 -59.4 140.2 6.0 19.5 82.9 35 36 A L - 0 0 0 269,-0.1 266,-2.1 -2,-0.1 269,-0.1 -0.899 12.2-126.4-107.2 140.9 9.6 20.4 82.7 36 37 A T > - 0 0 0 -2,-0.4 4,-1.8 264,-0.2 3,-0.2 -0.248 35.0 -96.2 -81.5 178.5 11.2 21.4 79.4 37 38 A L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.931 125.8 45.3 -59.6 -46.1 14.4 19.5 78.2 38 39 A S H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.792 108.7 56.7 -67.2 -30.3 16.8 22.2 79.5 39 40 A E H > S+ 0 0 4 -3,-0.2 4,-2.6 2,-0.2 5,-0.4 0.929 109.1 48.6 -65.5 -42.1 14.9 22.4 83.0 40 41 A K H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.936 116.5 39.1 -60.6 -50.8 15.5 18.7 83.4 41 42 A I H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.911 120.9 44.9 -69.7 -42.6 19.2 18.8 82.6 42 43 A V H >< S+ 0 0 2 -4,-2.4 3,-1.2 -5,-0.2 -2,-0.2 0.991 119.6 40.1 -66.1 -53.3 19.9 22.1 84.4 43 44 A Y H >< S+ 0 0 4 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.792 106.1 64.1 -70.3 -25.6 17.8 21.1 87.6 44 45 A G H 3< S+ 0 0 3 -4,-2.1 -1,-0.3 -5,-0.4 -21,-0.2 0.793 104.2 52.1 -64.4 -22.0 19.1 17.5 87.5 45 46 A H T << S+ 0 0 22 -3,-1.2 19,-1.9 -4,-0.9 -1,-0.3 0.180 81.5 132.3 -95.9 18.9 22.5 19.2 88.1 46 47 A L B < -B 63 0B 6 -3,-1.6 17,-0.2 17,-0.2 -3,-0.0 -0.397 55.7-140.1 -75.6 144.8 21.5 21.4 91.2 47 48 A D S S+ 0 0 71 15,-2.5 -1,-0.1 1,-0.3 16,-0.1 0.898 101.7 19.9 -69.5 -38.4 23.7 21.4 94.4 48 49 A D > + 0 0 68 14,-0.5 4,-2.3 1,-0.1 -1,-0.3 -0.623 69.0 172.0-131.9 83.9 20.6 21.4 96.6 49 50 A P T 4 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.838 80.5 53.7 -59.2 -35.1 17.5 20.1 94.6 50 51 A A T 4 S+ 0 0 46 1,-0.1 -2,-0.1 3,-0.0 -27,-0.0 0.921 121.1 26.3 -68.9 -41.9 15.4 19.9 97.7 51 52 A N T 4 S+ 0 0 121 -3,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.696 85.2 117.5-103.8 -13.4 16.0 23.6 98.9 52 53 A Q < - 0 0 20 -4,-2.3 2,-0.4 1,-0.1 9,-0.1 -0.308 62.3-131.5 -59.0 118.2 16.8 25.6 95.7 53 54 A E - 0 0 147 -2,-0.2 2,-0.6 7,-0.2 -1,-0.1 -0.580 26.0-160.6 -70.2 122.4 14.3 28.3 95.0 54 55 A I + 0 0 24 -2,-0.4 2,-0.3 5,-0.1 -1,-0.0 -0.925 27.1 147.3-113.7 116.6 13.4 27.9 91.3 55 56 A E >> - 0 0 94 -2,-0.6 3,-2.3 4,-0.0 4,-1.8 -0.876 48.4-116.6-148.0 116.5 11.9 30.9 89.4 56 57 A R T 34 S+ 0 0 37 -2,-0.3 144,-0.2 1,-0.3 179,-0.1 -0.285 99.1 2.9 -59.2 130.6 12.6 31.4 85.7 57 58 A G T 34 S+ 0 0 24 141,-2.5 -1,-0.3 2,-0.2 143,-0.1 0.317 130.3 61.2 75.0 -2.3 14.4 34.7 85.1 58 59 A K T <4 S+ 0 0 138 -3,-2.3 -2,-0.2 141,-0.1 2,-0.2 0.823 83.6 60.0-120.3 -46.9 14.6 35.5 88.9 59 60 A T < - 0 0 18 -4,-1.8 139,-3.1 140,-0.1 2,-0.5 -0.474 70.0-125.7 -87.9 161.2 16.4 33.1 91.2 60 61 A Y E - C 0 197B 46 137,-0.2 2,-0.3 -2,-0.2 137,-0.2 -0.925 21.8-145.7-107.5 126.3 20.1 32.1 91.0 61 62 A L E - C 0 196B 0 135,-2.8 135,-2.1 -2,-0.5 2,-0.7 -0.732 4.7-144.3 -94.0 135.5 20.8 28.4 90.9 62 63 A R E - C 0 195B 82 -2,-0.3 -15,-2.5 133,-0.2 -14,-0.5 -0.958 37.1-177.2 -99.8 111.8 23.9 27.0 92.6 63 64 A L E -BC 46 194B 0 131,-2.7 131,-2.6 -2,-0.7 -17,-0.2 -0.644 31.6-137.1-113.0 164.1 25.0 24.2 90.1 64 65 A R - 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