==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-MAY-07 2Q4I . COMPND 2 MOLECULE: ALLENE OXIDE CYCLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENT . 522 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 41.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 3 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 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 3 7 1 4 0 2 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 1 1 0 1 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 20 A K 0 0 187 0, 0.0 2,-0.6 0, 0.0 133,-0.3 0.000 360.0 360.0 360.0 140.9 56.7 27.7 41.6 2 21 A V - 0 0 66 131,-0.1 2,-0.6 132,-0.1 131,-0.2 -0.865 360.0-166.4-105.3 123.6 54.7 28.3 38.5 3 22 A Q E -A 132 0A 33 129,-2.5 129,-1.6 -2,-0.6 2,-0.6 -0.936 15.7-146.6-103.3 119.9 54.6 31.6 36.8 4 23 A E E -A 131 0A 132 -2,-0.6 2,-0.4 127,-0.2 127,-0.2 -0.783 19.5-176.7 -89.0 121.7 51.7 31.8 34.3 5 24 A L E -A 130 0A 4 125,-1.8 125,-2.8 -2,-0.6 2,-0.4 -0.983 2.9-170.7-120.6 129.9 52.6 33.9 31.3 6 25 A S E +A 129 0A 16 -2,-0.4 38,-1.4 137,-0.3 2,-0.2 -0.956 7.8 170.8-123.1 139.9 50.2 34.7 28.5 7 26 A V E -AB 128 43A 1 121,-0.6 121,-1.3 -2,-0.4 2,-0.4 -0.750 27.4-125.6-131.7 178.0 50.8 36.4 25.0 8 27 A Y E -AB 127 42A 0 34,-2.5 34,-3.0 -2,-0.2 2,-0.5 -0.998 16.6-159.8-130.6 135.0 48.9 37.0 21.8 9 28 A E E +AB 126 41A 9 117,-1.7 117,-1.6 -2,-0.4 2,-0.4 -0.967 16.4 179.0-117.9 122.6 50.3 35.9 18.4 10 29 A I E -AB 125 40A 10 30,-1.6 30,-1.6 -2,-0.5 2,-0.9 -0.990 28.4-141.7-134.6 134.4 48.8 37.7 15.3 11 30 A N - 0 0 16 113,-1.1 28,-0.1 -2,-0.4 -2,-0.0 -0.823 18.1-178.6 -91.3 102.7 49.5 37.4 11.6 12 31 A E - 0 0 58 -2,-0.9 -1,-0.1 1,-0.0 112,-0.1 0.155 47.6-113.1 -91.4 23.0 49.2 41.0 10.4 13 32 A L S S+ 0 0 144 4,-0.2 -2,-0.1 1,-0.1 26,-0.1 0.794 91.8 100.2 55.4 42.3 49.9 39.9 6.8 14 33 A D + 0 0 86 3,-0.0 -1,-0.1 1,-0.0 25,-0.0 0.229 61.9 63.7-140.0 13.0 53.2 41.6 6.6 15 34 A R S S- 0 0 26 2,-0.3 191,-0.2 23,-0.1 -2,-0.0 0.146 105.7-105.4-126.3 19.6 56.0 39.1 7.2 16 35 A H - 0 0 111 1,-0.2 184,-0.2 189,-0.1 189,-0.0 0.713 67.7-177.7 64.8 25.8 55.5 36.8 4.2 17 36 A S + 0 0 14 21,-0.2 -2,-0.3 2,-0.1 -1,-0.2 -0.840 42.1 29.6-124.7 152.1 54.0 34.2 6.4 18 37 A P S S- 0 0 67 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.601 71.2-163.9 -79.9 159.3 52.9 31.5 6.5 19 38 A K - 0 0 62 17,-2.3 2,-0.5 -2,-0.1 188,-0.1 -0.939 9.9-146.7-109.7 120.4 55.0 30.1 3.5 20 39 A I - 0 0 84 -2,-0.6 2,-0.7 15,-0.2 15,-0.2 -0.796 12.4-168.8 -95.8 126.6 53.6 26.8 2.1 21 40 A L B -C 34 0A 15 13,-2.6 13,-2.0 -2,-0.5 2,-0.4 -0.911 23.7-151.9-110.3 100.4 56.0 24.2 0.7 22 41 A K + 0 0 91 -2,-0.7 11,-0.1 11,-0.2 10,-0.0 -0.615 42.0 136.3 -89.4 125.0 53.6 21.8 -1.0 23 42 A N + 0 0 59 -2,-0.4 -1,-0.2 7,-0.2 2,-0.2 0.502 40.5 101.9-133.6 -20.8 54.4 18.1 -1.4 24 43 A A S S- 0 0 11 6,-0.3 2,-1.9 1,-0.1 8,-0.1 -0.465 74.5-124.3 -69.8 141.9 51.2 16.2 -0.6 25 44 A F S S+ 0 0 192 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.514 80.5 81.5 -87.3 74.1 49.3 14.9 -3.6 26 45 A S S S- 0 0 64 -2,-1.9 4,-0.1 2,-0.1 -2,-0.1 -0.944 81.1-123.5-168.8 149.8 46.0 16.6 -2.5 27 46 A L S S+ 0 0 186 -2,-0.3 2,-0.3 2,-0.1 -2,-0.1 0.549 101.4 69.2 -74.8 -9.4 44.2 20.0 -2.7 28 47 A X S S- 0 0 113 1,-0.1 -2,-0.1 34,-0.0 34,-0.1 -0.770 105.1 -88.7-105.2 156.5 44.0 19.6 1.0 29 48 A F + 0 0 43 -2,-0.3 33,-0.4 32,-0.1 2,-0.3 -0.313 59.8 158.8 -56.0 145.2 47.0 19.8 3.4 30 49 A G > - 0 0 13 31,-0.2 3,-2.2 -4,-0.1 -6,-0.3 -0.961 51.0 -55.2-158.0 171.8 48.6 16.3 4.0 31 50 A L T 3 S+ 0 0 13 29,-0.4 29,-0.1 -2,-0.3 3,-0.1 -0.265 120.9 47.7 -50.5 138.4 51.8 14.8 5.1 32 51 A G T 3 S+ 0 0 0 27,-0.5 2,-0.3 1,-0.4 -1,-0.2 -0.169 84.2 107.7 115.6 -38.7 54.5 16.3 2.8 33 52 A D < - 0 0 0 -3,-2.2 26,-2.1 -11,-0.1 -1,-0.4 -0.593 50.9-165.4 -78.5 134.5 53.5 19.9 3.2 34 53 A L E -CD 21 58A 3 -13,-2.0 -13,-2.6 -2,-0.3 24,-0.2 -0.962 4.7-163.3-121.4 135.4 55.8 22.0 5.3 35 54 A V E - D 0 57A 12 22,-3.1 22,-2.1 -2,-0.4 -15,-0.2 -0.784 3.6-172.4-126.0 90.3 54.8 25.4 6.7 36 55 A P E + D 0 56A 0 0, 0.0 -17,-2.3 0, 0.0 2,-0.3 -0.472 22.7 177.3 -68.1 152.9 57.5 27.7 8.0 37 56 A F E - D 0 55A 16 18,-1.7 18,-1.5 -19,-0.2 2,-0.2 -0.989 28.9-172.3-155.5 161.2 56.0 30.8 9.6 38 57 A T + 0 0 1 -2,-0.3 2,-0.2 16,-0.2 -21,-0.2 -0.655 17.7 165.3-162.7 103.2 56.7 34.0 11.5 39 58 A N - 0 0 23 14,-0.2 14,-2.2 -2,-0.2 -28,-0.2 -0.674 39.1 -90.9-109.6 165.7 54.0 36.2 13.1 40 59 A K E -BE 10 52A 16 -30,-1.6 -30,-1.6 -2,-0.2 2,-0.4 -0.358 30.8-142.9 -77.0 161.6 54.1 39.0 15.7 41 60 A L E -BE 9 51A 0 10,-2.7 9,-2.4 132,-0.3 10,-1.4 -0.987 16.6-178.5-131.7 124.5 53.9 38.6 19.5 42 61 A Y E -BE 8 49A 0 -34,-3.0 -34,-2.5 -2,-0.4 7,-0.3 -0.912 36.4 -94.8-120.0 147.8 52.1 41.1 21.9 43 62 A T E > -B 7 0A 2 5,-3.4 3,-1.9 -2,-0.3 -36,-0.2 -0.098 39.5-106.6 -55.9 159.3 51.9 40.9 25.7 44 63 A G T 3 S+ 0 0 2 -38,-1.4 104,-1.7 99,-0.4 -37,-0.1 0.828 123.3 56.2 -61.0 -32.4 48.8 39.2 27.2 45 64 A D T 3 S- 0 0 21 102,-0.2 -1,-0.3 -39,-0.2 -2,-0.1 0.488 107.1-133.0 -79.8 4.2 47.4 42.7 28.2 46 65 A L S < S+ 0 0 7 -3,-1.9 111,-4.0 2,-0.2 114,-0.2 0.512 79.6 108.9 60.4 7.7 47.8 43.6 24.5 47 66 A K S S+ 0 0 127 109,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.715 73.5 45.6 -85.5 -18.3 49.5 46.9 25.5 48 67 A K - 0 0 43 -5,-0.1 -5,-3.4 94,-0.1 2,-0.5 -0.966 65.2-137.4-135.8 147.5 52.9 45.8 24.3 49 68 A R E +Ef 42 168A 2 118,-2.5 120,-2.2 -2,-0.4 -7,-0.3 -0.832 27.0 169.9 -91.1 126.5 54.8 44.2 21.4 50 69 A V E - 0 0 0 -9,-2.4 123,-1.4 -2,-0.5 30,-0.4 0.828 51.4 -69.0-105.7 -38.6 57.5 41.8 22.8 51 70 A G E -E 41 0A 0 -10,-1.4 -10,-2.7 121,-0.3 2,-0.3 -0.831 53.2 -75.3 179.6-145.3 58.8 39.8 19.8 52 71 A I E -E 40 0A 0 -12,-0.3 26,-3.4 -2,-0.2 2,-0.3 -0.877 27.7-117.8-138.5 168.1 57.7 37.2 17.2 53 72 A T E - G 0 77A 0 -14,-2.2 2,-0.3 -2,-0.3 24,-0.2 -0.826 34.2-178.4-102.0 156.3 57.2 33.5 17.0 54 73 A A E + G 0 76A 0 22,-2.0 22,-2.9 -2,-0.3 2,-0.3 -0.913 26.0 80.6-156.7 126.6 59.5 31.7 14.5 55 74 A G E -DG 37 75A 1 -18,-1.5 -18,-1.7 -2,-0.3 2,-0.4 -0.975 63.2 -63.3 170.8-154.9 59.6 28.1 13.6 56 75 A L E -DG 36 74A 13 18,-1.9 18,-1.4 -2,-0.3 2,-0.6 -0.983 20.1-159.4-138.3 127.7 58.2 25.2 11.5 57 76 A C E -DG 35 73A 10 -22,-2.1 -22,-3.1 -2,-0.4 2,-0.5 -0.925 13.5-159.7-100.9 123.3 54.9 23.4 11.3 58 77 A V E -DG 34 72A 9 14,-2.9 14,-2.6 -2,-0.6 2,-0.3 -0.860 20.9-125.7 -99.2 126.3 55.1 19.9 9.8 59 78 A V E + G 0 71A 0 -26,-2.1 -27,-0.5 -2,-0.5 12,-0.3 -0.568 30.3 175.6 -75.0 133.5 51.7 18.7 8.4 60 79 A I E - 0 0 2 10,-4.2 -29,-0.4 1,-0.3 2,-0.3 0.837 61.4 -32.7-101.3 -44.0 50.8 15.3 9.9 61 80 A E E - G 0 70A 27 9,-1.2 9,-1.3 -31,-0.2 -1,-0.3 -0.896 51.2-113.3-174.2 143.4 47.3 14.7 8.5 62 81 A H E - G 0 69A 49 -33,-0.4 7,-0.3 -2,-0.3 -31,-0.1 -0.612 30.3-150.2 -76.2 147.6 44.2 16.6 7.4 63 82 A V E > + G 0 68A 5 5,-3.2 5,-2.5 -2,-0.2 3,-0.4 -0.885 19.6 175.8-121.7 95.9 41.3 15.6 9.8 64 83 A P T > 5S+ 0 0 79 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.886 77.4 60.5 -75.1 -32.7 38.1 15.8 7.9 65 84 A E T 3 5S+ 0 0 141 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.790 117.1 37.4 -62.0 -23.4 35.8 14.5 10.5 66 85 A K T 3 5S- 0 0 107 -3,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.408 106.6-127.7-105.2 6.2 37.1 17.6 12.5 67 86 A K T < 5S+ 0 0 178 -3,-1.2 2,-0.3 -4,-0.3 -2,-0.1 0.957 75.5 90.1 46.7 52.8 37.3 20.0 9.5 68 87 A G E - 0 0 0 4,-2.5 3,-1.6 -2,-0.4 4,-0.3 -0.434 41.8-113.6-124.0 55.0 60.6 38.6 23.9 80 99 A G G > S- 0 0 18 -30,-0.4 3,-0.8 1,-0.2 -1,-0.4 -0.217 87.3 -7.4 55.1-135.8 63.1 41.2 22.8 81 100 A D G 3 S+ 0 0 102 89,-1.3 -1,-0.2 1,-0.2 90,-0.1 0.650 125.4 73.5 -71.9 -13.1 66.1 41.7 25.1 82 101 A Y G < S- 0 0 55 -3,-1.6 25,-3.4 1,-0.2 26,-0.4 0.811 104.1-112.2 -70.5 -33.3 64.6 39.3 27.8 83 102 A G E < - 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