==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-MAR-06 2DIO . COMPND 2 MOLECULE: ALLENE OXIDE CYCLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.HOFMANN,F.SCHALLER,P.ZERBE . 522 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20976.0 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 . 220 42.1 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 . 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 . 51 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.3 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 . 3 0 3 6 3 3 0 3 6 2 1 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 0 3 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 15 A K 0 0 223 0, 0.0 2,-0.4 0, 0.0 134,-0.3 0.000 360.0 360.0 360.0 -68.1 43.5 76.3 13.6 2 16 A V - 0 0 78 131,-0.1 2,-0.6 132,-0.1 131,-0.2 -0.585 360.0-171.7 -74.8 122.1 44.6 74.7 17.0 3 17 A Q E -A 132 0A 42 129,-2.8 129,-2.0 -2,-0.4 2,-0.4 -0.974 18.0-142.0-107.6 114.6 47.3 76.7 18.8 4 18 A E E -A 131 0A 120 -2,-0.6 2,-0.4 127,-0.2 127,-0.2 -0.620 19.4-175.3 -87.2 134.8 48.5 74.7 21.7 5 19 A L E -A 130 0A 2 125,-2.3 125,-3.3 -2,-0.4 2,-0.4 -0.982 3.0-167.8-129.8 121.6 49.4 76.6 25.0 6 20 A S E +A 129 0A 10 -2,-0.4 38,-1.0 137,-0.3 2,-0.3 -0.874 10.3 171.1-112.5 142.1 50.9 74.9 28.1 7 21 A V E -AB 128 43A 1 121,-1.8 121,-2.7 -2,-0.4 2,-0.5 -0.970 27.1-130.1-144.4 153.3 51.2 76.4 31.5 8 22 A Y E -AB 127 42A 0 34,-2.0 34,-2.7 -2,-0.3 2,-0.6 -0.947 14.2-157.3-104.7 129.0 52.2 75.2 35.0 9 23 A E E -AB 126 41A 3 117,-2.6 117,-2.6 -2,-0.5 2,-0.4 -0.937 17.3-176.0-101.4 125.5 49.9 76.0 37.9 10 24 A I E -AB 125 40A 9 30,-2.4 30,-2.6 -2,-0.6 2,-0.8 -0.984 23.2-147.0-126.7 126.0 51.8 75.9 41.3 11 25 A N + 0 0 14 113,-2.1 28,-0.1 -2,-0.4 -2,-0.0 -0.822 17.7 178.1 -86.0 109.9 50.4 76.4 44.8 12 26 A E - 0 0 62 -2,-0.8 -1,-0.1 1,-0.0 27,-0.1 0.331 42.8-123.2 -99.0 7.5 53.3 78.1 46.7 13 27 A L S S+ 0 0 113 4,-0.2 3,-0.3 1,-0.1 -2,-0.1 0.599 87.2 103.5 68.2 17.8 51.1 78.3 49.8 14 28 A D + 0 0 90 1,-0.2 -1,-0.1 2,-0.1 25,-0.0 0.095 64.2 67.7-117.8 17.9 51.4 82.1 50.1 15 29 A R S S- 0 0 22 2,-0.3 -1,-0.2 23,-0.1 191,-0.1 0.044 109.2-106.0-127.2 22.0 47.9 83.0 48.7 16 30 A H - 0 0 165 -3,-0.3 -2,-0.1 1,-0.2 189,-0.0 0.664 68.1-178.2 66.1 19.1 45.7 81.7 51.6 17 31 A S + 0 0 4 21,-0.2 -2,-0.3 2,-0.1 -1,-0.2 -0.897 42.6 30.8-124.7 140.5 44.7 78.9 49.3 18 32 A P - 0 0 60 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.453 67.2-168.7 -77.8 157.5 43.0 76.5 49.3 19 33 A K - 0 0 34 17,-2.0 2,-0.7 -2,-0.2 188,-0.1 -0.970 13.0-154.1-108.0 115.6 40.3 77.8 51.6 20 34 A I - 0 0 82 -2,-0.6 2,-0.8 15,-0.2 15,-0.2 -0.831 10.8-165.2 -98.8 117.3 38.1 74.8 52.4 21 35 A L B -C 34 0A 12 13,-3.1 13,-2.1 -2,-0.7 2,-0.8 -0.873 17.1-159.1 -92.6 108.7 34.5 75.5 53.3 22 36 A K + 0 0 91 -2,-0.8 11,-0.1 11,-0.2 -2,-0.0 -0.786 38.7 135.5-102.4 107.0 33.5 72.1 54.9 23 37 A N + 0 0 70 -2,-0.8 -1,-0.2 7,-0.2 10,-0.1 0.431 31.9 124.0-119.9 -13.2 29.7 71.6 55.0 24 38 A A S S- 0 0 16 6,-0.3 8,-0.1 1,-0.1 7,-0.0 -0.188 70.4-118.7 -60.6 151.1 29.3 68.0 53.8 25 39 A F S S+ 0 0 126 6,-0.4 2,-0.2 341,-0.1 -1,-0.1 0.527 92.5 73.9 -46.0 -20.5 27.4 65.1 55.7 26 40 A S S S- 0 0 19 2,-0.3 4,-0.1 5,-0.2 -2,-0.1 -0.706 78.6-132.0-111.1 155.8 30.8 63.2 55.7 27 41 A L S S+ 0 0 170 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.898 101.1 57.9 -63.4 -40.9 34.2 63.3 57.4 28 42 A X S S- 0 0 100 1,-0.2 -2,-0.3 -3,-0.0 34,-0.1 -0.279 116.7 -69.3 -78.2 169.7 35.8 63.0 53.9 29 43 A F + 0 0 40 32,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.363 69.1 160.4 -53.2 144.4 35.1 65.5 51.2 30 44 A G > - 0 0 2 31,-0.2 3,-2.4 -4,-0.1 -6,-0.3 -0.953 48.4 -56.7-156.2 172.8 31.4 65.3 50.0 31 45 A L T 3 S+ 0 0 4 29,-0.4 -6,-0.4 -2,-0.3 -5,-0.2 -0.312 120.7 45.7 -54.2 134.9 28.7 67.3 48.2 32 46 A G T 3 S+ 0 0 0 27,-0.6 -1,-0.3 1,-0.5 2,-0.2 -0.112 86.0 112.3 113.7 -36.1 28.3 70.6 50.2 33 47 A D < - 0 0 0 -3,-2.4 26,-2.3 -11,-0.1 -1,-0.5 -0.495 47.8-168.7 -76.2 137.6 32.0 71.2 50.5 34 48 A L E -CD 21 58A 3 -13,-2.1 -13,-3.1 24,-0.2 24,-0.2 -0.976 11.1-164.0-129.3 145.7 33.4 74.2 48.5 35 49 A V E - D 0 57A 11 22,-2.8 22,-2.1 -2,-0.4 -15,-0.2 -0.727 0.5-168.0-137.8 85.8 36.9 75.2 47.7 36 50 A P E + D 0 56A 0 0, 0.0 -17,-2.0 0, 0.0 2,-0.3 -0.463 28.0 174.6 -60.9 140.6 37.6 78.7 46.5 37 51 A F E - D 0 55A 18 18,-2.4 18,-2.2 -19,-0.2 2,-0.3 -0.984 30.7-174.4-151.2 163.0 41.2 78.8 45.3 38 52 A T + 0 0 1 -2,-0.3 2,-0.2 16,-0.2 16,-0.2 -0.820 14.5 174.7-161.4 123.6 44.0 80.7 43.6 39 53 A N - 0 0 13 14,-0.3 14,-2.1 -2,-0.3 2,-0.2 -0.636 35.7 -92.6-120.3 171.1 47.4 79.5 42.6 40 54 A K E -BE 10 52A 14 -30,-2.6 -30,-2.4 12,-0.2 2,-0.4 -0.601 34.1-147.1 -84.0 152.4 50.4 80.9 40.7 41 55 A L E -BE 9 51A 0 10,-2.3 9,-2.6 -2,-0.2 10,-2.3 -0.989 15.8-179.2-126.6 133.8 50.7 80.4 36.9 42 56 A Y E -BE 8 49A 0 -34,-2.7 -34,-2.0 -2,-0.4 7,-0.2 -0.809 35.3 -90.5-125.1 157.0 54.0 80.1 35.0 43 57 A T E > -B 7 0A 2 5,-2.6 3,-1.7 -2,-0.3 -36,-0.2 -0.176 41.2-106.0 -62.1 162.6 54.8 79.6 31.3 44 58 A G T 3 S+ 0 0 2 -38,-1.0 104,-2.2 99,-0.5 -37,-0.2 0.814 124.4 51.9 -61.8 -30.1 55.1 76.1 29.8 45 59 A D T 3 S- 0 0 30 102,-0.3 -1,-0.3 -39,-0.2 101,-0.1 0.395 109.1-129.5 -84.4 0.9 58.8 76.4 29.6 46 60 A L S < S+ 0 0 7 -3,-1.7 111,-2.9 2,-0.2 114,-0.2 0.512 78.3 114.2 63.5 12.7 58.8 77.4 33.3 47 61 A K + 0 0 131 109,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.799 69.9 41.6 -82.3 -27.7 60.9 80.5 32.5 48 62 A K - 0 0 54 94,-0.1 -5,-2.6 112,-0.1 2,-0.5 -0.958 69.0-130.0-132.3 141.1 58.3 83.2 33.4 49 63 A R E +Ef 42 168A 1 118,-2.6 120,-2.1 -2,-0.4 -7,-0.3 -0.720 30.1 173.3 -76.2 123.5 55.6 84.0 35.9 50 64 A V E - 0 0 0 -9,-2.6 123,-1.6 -2,-0.5 30,-0.4 0.750 46.9 -85.5-102.6 -31.7 52.5 84.9 33.9 51 65 A G E -E 41 0A 0 -10,-2.3 -10,-2.3 121,-0.3 2,-0.3 -0.790 51.3 -55.2 163.1-136.7 49.8 85.3 36.5 52 66 A I E -E 40 0A 0 26,-0.5 26,-3.4 -12,-0.3 2,-0.3 -0.929 25.6-126.0-144.9 159.1 47.3 83.3 38.6 53 67 A T E - G 0 77A 0 -14,-2.1 2,-0.3 -2,-0.3 -14,-0.3 -0.830 33.2-179.3-100.2 156.4 44.4 80.9 38.5 54 68 A A E + G 0 76A 0 22,-1.6 22,-2.5 -2,-0.3 2,-0.3 -0.908 25.4 74.6-158.9 128.2 41.3 82.0 40.4 55 69 A G E -DG 37 75A 1 -18,-2.2 -18,-2.4 -2,-0.3 2,-0.4 -0.970 64.4 -58.8 165.8-148.0 37.9 80.4 40.9 56 70 A L E -DG 36 74A 8 18,-2.6 18,-2.3 -2,-0.3 2,-0.5 -0.990 19.7-155.1-140.3 128.5 35.9 77.7 42.7 57 71 A C E -DG 35 73A 11 -22,-2.1 -22,-2.8 -2,-0.4 2,-0.6 -0.920 14.4-158.3 -98.0 124.8 36.0 74.0 43.1 58 72 A V E -DG 34 72A 3 14,-3.2 14,-2.5 -2,-0.5 2,-0.3 -0.906 20.3-129.1-100.5 116.8 32.5 72.5 44.0 59 73 A V E + G 0 71A 0 -26,-2.3 -27,-0.6 -2,-0.6 12,-0.2 -0.538 29.5 176.8 -68.3 132.5 33.0 69.0 45.6 60 74 A I E - 0 0 2 10,-3.2 -29,-0.4 1,-0.4 2,-0.3 0.821 57.6 -32.7-101.9 -46.7 30.7 66.5 43.8 61 75 A E E - G 0 70A 29 9,-1.4 9,-2.5 -31,-0.2 -1,-0.4 -0.985 52.2-106.1-166.0 156.9 31.6 63.2 45.6 62 76 A H E - G 0 69A 63 -2,-0.3 7,-0.2 7,-0.2 -31,-0.1 -0.761 27.2-151.7 -82.2 144.4 34.3 61.3 47.3 63 77 A V E > > - G 0 68A 7 5,-3.1 5,-1.9 -2,-0.3 3,-1.2 -0.861 15.4-179.0-119.2 83.2 35.5 58.4 45.1 64 78 A P G > 5S+ 0 0 81 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.879 77.6 57.6 -58.8 -38.6 36.7 55.8 47.7 65 79 A E G 3 5S+ 0 0 152 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.690 114.0 39.8 -65.6 -20.0 37.9 53.2 45.1 66 80 A K G < 5S- 0 0 103 -3,-1.2 -1,-0.3 2,-0.2 3,-0.1 0.288 107.6-124.1-110.3 7.2 40.3 55.8 43.6 67 81 A K T < 5S+ 0 0 185 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.1 0.917 78.5 72.9 51.7 46.6 41.4 57.3 47.0 68 82 A G E - 0 0 0 4,-2.9 3,-1.9 1,-0.4 4,-0.3 -0.412 42.4-111.8-119.1 52.4 48.2 86.1 31.8 80 94 A G G > S- 0 0 16 -30,-0.4 3,-1.1 1,-0.3 -1,-0.4 -0.247 89.9 -12.0 60.3-138.4 49.1 89.7 32.9 81 95 A D G 3 S+ 0 0 120 89,-1.0 -1,-0.3 1,-0.2 3,-0.1 0.626 125.8 77.6 -75.1 -10.9 48.1 92.3 30.2 82 96 A Y G < S- 0 0 56 -3,-1.9 25,-3.1 1,-0.2 26,-0.4 0.813 100.5-123.0 -64.2 -29.9 47.6 89.5 27.6 83 97 A G E < - 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J 0 117A 9 20,-1.8 20,-3.1 -7,-0.0 2,-0.4 -0.913 25.4-120.9-147.1 174.3 40.8 65.3 32.8 98 112 A F E - J 0 116A 70 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.990 23.4-161.8-123.0 134.5 39.7 67.6 30.2 99 113 A L E - J 0 115A 0 16,-2.2 16,-2.5 -2,-0.4 2,-0.3 -0.792 24.5-107.5-109.0 153.4 37.9 70.9 30.8 100 114 A A E -IJ 88 114A 0 -12,-2.8 -12,-1.6 -2,-0.3 2,-0.8 -0.611 22.2-132.8 -77.8 133.4 35.8 73.1 28.5 101 115 A I E -IJ 87 113A 2 12,-2.7 12,-0.5 353,-0.4 -14,-0.3 -0.863 26.4-175.4 -80.7 108.6 37.3 76.4 27.4 102 116 A T E - 0 0 11 -16,-2.1 2,-0.3 -2,-0.8 -15,-0.2 0.653 51.3 -60.2 -87.6 -18.1 34.3 78.6 28.1 103 117 A G E -I 86 0A 5 -17,-1.1 -17,-2.6 -3,-0.1 -1,-0.3 -0.946 46.7-132.9 162.4-177.4 35.8 81.8 26.6 104 118 A G E -I 85 0A 0 184,-0.4 6,-0.5 -2,-0.3 172,-0.5 -0.959 3.2-145.6-154.9 171.2 38.6 84.4 26.9 105 119 A A E > +I 84 0A 3 -21,-2.0 3,-1.6 -2,-0.3 -21,-0.9 -0.915 69.1 13.9-136.1 163.8 39.4 88.2 26.9 106 120 A G E > S-I 83 0A 37 -2,-0.3 3,-1.9 1,-0.3 -23,-0.2 -0.524 139.0 -6.4 73.9-134.4 42.3 90.2 25.6 107 121 A I T 3 S+ 0 0 62 -25,-3.1 29,-0.4 1,-0.3 30,-0.4 0.679 137.8 61.1 -65.3 -18.3 44.4 88.1 23.2 108 122 A F T X S+ 0 0 0 -3,-1.6 3,-2.6 -26,-0.4 -1,-0.3 0.357 71.3 134.4 -92.7 5.4 42.2 85.1 24.1 109 123 A E T < S+ 0 0 20 -3,-1.9 27,-0.4 1,-0.3 -4,-0.2 -0.285 75.4 21.9 -52.1 132.1 39.0 86.8 22.9 110 124 A G T 3 S+ 0 0 8 -6,-0.5 -1,-0.3 178,-0.3 25,-0.1 0.364 89.4 159.6 90.0 -6.3 37.1 84.2 20.9 111 125 A A < + 0 0 6 -3,-2.6 2,-0.3 23,-0.1 -1,-0.3 -0.182 6.2 156.5 -52.8 132.8 38.9 81.3 22.6 112 126 A Y E + K 0 133A 101 21,-1.9 21,-2.6 -9,-0.1 2,-0.3 -0.951 21.9 71.5-149.0 169.5 37.2 77.8 22.4 113 127 A G E S-JK 101 132A 3 -12,-0.5 -12,-2.7 -2,-0.3 2,-0.3 -0.908 74.8 -61.8 125.0-154.0 38.1 74.1 22.6 114 128 A Q E -JK 100 131A 36 17,-0.6 17,-2.6 -2,-0.3 2,-0.4 -0.915 32.8-142.1-133.2 159.4 39.2 72.0 25.5 115 129 A V E -JK 99 130A 0 -16,-2.5 -16,-2.2 -2,-0.3 2,-0.5 -0.982 13.5-135.0-124.9 134.8 42.2 71.9 27.9 116 130 A K E -JK 98 129A 49 13,-2.8 13,-1.8 -2,-0.4 2,-0.6 -0.783 17.7-158.7 -89.6 126.8 44.0 68.9 29.3 117 131 A L E -JK 97 128A 0 -20,-3.1 -20,-1.8 -2,-0.5 2,-0.5 -0.924 10.1-176.9-106.5 122.7 44.7 69.0 33.1 118 132 A Q E - 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