==== 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 29-MAR-06 2GIN . COMPND 2 MOLECULE: ALLENE OXIDE CYCLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR E.HOFMANN,F.SCHALLER,P.ZERBE . 1038 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 731 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 439 42.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 . 104 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 6 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 RESIDUES PER ALPHA HELIX . 6 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 6 12 6 6 0 9 9 2 4 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 6 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 16 A V 0 0 114 0, 0.0 2,-0.6 0, 0.0 131,-0.2 0.000 360.0 360.0 360.0 125.5 -9.7 -10.2 12.1 2 17 A Q E -A 131 0A 50 129,-2.6 129,-1.9 2,-0.0 2,-0.3 -0.956 360.0-141.6-105.1 119.5 -6.2 -11.4 13.1 3 18 A E E -A 130 0A 125 -2,-0.6 2,-0.4 127,-0.2 127,-0.2 -0.589 20.1-178.6 -79.6 136.2 -6.2 -14.3 15.6 4 19 A L E -A 129 0A 4 125,-1.8 125,-3.4 -2,-0.3 2,-0.3 -0.963 4.4-168.6-137.2 120.8 -3.5 -14.2 18.4 5 20 A S E +A 128 0A 16 -2,-0.4 38,-1.4 137,-0.4 2,-0.3 -0.859 9.4 171.2-109.9 142.8 -3.2 -17.0 21.0 6 21 A V E -AB 127 42A 2 121,-1.7 121,-2.8 -2,-0.3 2,-0.5 -0.985 26.6-130.9-145.3 153.4 -1.1 -17.0 24.2 7 22 A Y E -AB 126 41A 0 34,-2.2 34,-2.9 -2,-0.3 2,-0.6 -0.928 13.1-154.7-105.3 131.4 -0.7 -19.2 27.3 8 23 A E E -AB 125 40A 0 117,-2.0 117,-2.1 -2,-0.5 2,-0.4 -0.913 20.1-176.5-101.4 119.2 -0.7 -17.5 30.8 9 24 A I E -AB 124 39A 8 30,-2.5 30,-2.2 -2,-0.6 2,-0.8 -0.970 23.0-145.6-125.8 131.5 1.3 -19.7 33.3 10 25 A N + 0 0 10 113,-2.3 28,-0.1 -2,-0.4 -2,-0.0 -0.863 15.9 179.8 -95.0 109.9 1.8 -19.2 37.0 11 26 A E - 0 0 33 -2,-0.8 -1,-0.1 0, 0.0 112,-0.1 0.239 44.9-117.2 -94.5 10.5 5.3 -20.5 37.9 12 27 A L S S+ 0 0 136 4,-0.2 3,-0.1 1,-0.1 -2,-0.1 0.623 92.3 97.7 72.9 18.8 5.0 -19.6 41.7 13 28 A D + 0 0 86 1,-0.1 -1,-0.1 2,-0.0 25,-0.0 0.204 64.6 65.4-125.0 10.5 7.9 -17.1 41.5 14 29 A R S S- 0 0 20 2,-0.2 190,-0.1 23,-0.1 -1,-0.1 0.059 106.4-109.5-123.1 21.2 6.2 -13.7 41.1 15 30 A H - 0 0 170 1,-0.2 -2,-0.0 -3,-0.1 188,-0.0 0.663 63.9-172.1 60.8 23.4 4.5 -13.6 44.6 16 31 A S + 0 0 13 21,-0.2 -1,-0.2 2,-0.1 -2,-0.2 -0.780 42.3 26.9-115.2 148.4 1.1 -14.1 42.8 17 32 A P - 0 0 51 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.614 66.6-165.2 -77.8 156.7 -1.9 -14.1 43.4 18 33 A K - 0 0 36 17,-2.3 2,-0.6 -2,-0.1 187,-0.1 -0.965 10.3-151.7-107.5 115.0 -2.1 -11.7 46.4 19 34 A I - 0 0 76 -2,-0.6 2,-0.9 15,-0.2 15,-0.2 -0.794 6.8-160.4 -93.6 121.4 -5.5 -12.1 48.1 20 35 A L B -C 33 0A 13 13,-3.0 13,-1.6 -2,-0.6 2,-0.9 -0.856 17.1-154.3 -97.1 99.0 -6.8 -9.0 50.0 21 36 A K + 0 0 88 -2,-0.9 11,-0.1 11,-0.2 -2,-0.0 -0.677 39.9 139.2 -86.1 105.6 -9.4 -10.6 52.3 22 37 A N + 0 0 62 -2,-0.9 2,-0.3 7,-0.2 -1,-0.2 0.600 45.1 91.2-115.5 -24.1 -12.1 -8.1 53.3 23 38 A A S S- 0 0 15 6,-0.3 8,-0.1 1,-0.1 6,-0.0 -0.620 75.6-133.9 -73.1 135.5 -15.3 -10.2 53.1 24 39 A F S S+ 0 0 195 -2,-0.3 -1,-0.1 4,-0.0 4,-0.0 0.757 76.5 93.4 -66.1 -25.8 -16.1 -11.8 56.5 25 40 A S S S- 0 0 63 1,-0.1 4,-0.1 2,-0.1 -2,-0.1 -0.216 81.5-125.6 -62.9 155.6 -16.8 -15.2 55.1 26 41 A L S S+ 0 0 171 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.862 97.0 67.6 -66.7 -33.9 -14.2 -18.0 54.8 27 42 A M S S- 0 0 103 1,-0.2 -2,-0.1 34,-0.0 34,-0.1 -0.325 106.1 -82.8 -77.3 160.9 -15.1 -18.2 51.0 28 43 A F + 0 0 27 32,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.392 62.2 157.9 -53.4 144.4 -14.4 -15.4 48.5 29 44 A G > - 0 0 10 31,-0.1 3,-2.5 -4,-0.1 -6,-0.3 -0.964 47.4 -50.9-162.6 174.9 -17.0 -12.6 48.5 30 45 A L T 3 S+ 0 0 13 29,-0.4 29,-0.1 -2,-0.3 3,-0.1 -0.274 120.5 40.7 -54.2 134.2 -17.7 -8.9 47.6 31 46 A G T 3 S+ 0 0 0 27,-0.6 -1,-0.3 1,-0.4 2,-0.2 -0.066 87.7 114.2 107.5 -29.8 -15.0 -6.7 49.1 32 47 A D < - 0 0 0 -3,-2.5 26,-2.2 -11,-0.1 -1,-0.4 -0.528 46.1-169.1 -78.0 144.1 -12.1 -9.2 48.3 33 48 A L E -CD 20 57A 3 -13,-1.6 -13,-3.0 24,-0.2 24,-0.2 -0.991 9.3-162.2-136.4 143.6 -9.5 -8.0 45.7 34 49 A V E - D 0 56A 11 22,-3.2 22,-1.8 -2,-0.4 -15,-0.2 -0.801 0.2-166.4-134.7 85.9 -6.8 -10.0 44.0 35 50 A P E + D 0 55A 0 0, 0.0 -17,-2.3 0, 0.0 2,-0.3 -0.494 26.3 176.2 -60.0 144.4 -3.8 -8.2 42.3 36 51 A F E - D 0 54A 10 18,-2.2 18,-2.0 -19,-0.2 2,-0.3 -0.978 27.8-175.5-150.6 165.1 -2.0 -10.7 40.1 37 52 A T + 0 0 0 -2,-0.3 2,-0.2 16,-0.2 -21,-0.2 -0.830 14.5 171.1-166.1 119.6 0.9 -11.2 37.6 38 53 A N - 0 0 11 14,-0.3 14,-2.2 -2,-0.3 2,-0.3 -0.697 37.6 -89.0-123.2 174.8 1.8 -14.3 35.6 39 54 A K E -BE 9 51A 17 -30,-2.2 -30,-2.5 12,-0.2 2,-0.5 -0.607 34.5-146.4 -85.1 143.9 4.1 -15.3 32.8 40 55 A L E +BE 8 50A 0 10,-2.3 9,-2.3 -2,-0.3 10,-1.7 -0.967 18.5 177.2-117.3 130.2 3.0 -15.1 29.2 41 56 A Y E -BE 7 48A 0 -34,-2.9 -34,-2.2 -2,-0.5 7,-0.2 -0.866 37.1 -86.4-123.0 158.8 4.2 -17.5 26.3 42 57 A T E > -B 6 0A 2 5,-2.7 3,-2.0 -2,-0.3 -36,-0.2 -0.148 40.8-109.4 -59.2 156.7 3.3 -17.8 22.6 43 58 A G T 3 S+ 0 0 4 -38,-1.4 104,-2.2 99,-0.3 -37,-0.2 0.783 123.6 53.4 -60.1 -29.4 0.3 -19.9 21.6 44 59 A D T 3 S- 0 0 27 102,-0.3 -1,-0.3 -39,-0.2 101,-0.1 0.442 108.6-129.8 -82.3 -0.2 2.7 -22.6 20.2 45 60 A L S < S+ 0 0 7 -3,-2.0 111,-2.9 2,-0.2 114,-0.2 0.496 77.3 114.5 64.7 9.6 4.5 -22.6 23.7 46 61 A K S S+ 0 0 131 109,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.772 70.2 37.1 -82.2 -28.6 7.9 -22.1 22.0 47 62 A K - 0 0 55 94,-0.1 -5,-2.7 112,-0.1 2,-0.4 -0.984 68.5-128.2-136.8 137.3 8.8 -18.7 23.3 48 63 A R E +Ef 41 167A 2 118,-2.4 120,-1.9 -2,-0.4 -7,-0.2 -0.653 29.5 172.5 -64.0 123.6 8.5 -16.5 26.4 49 64 A V E - 0 0 0 -9,-2.3 123,-1.3 -2,-0.4 2,-0.2 0.737 48.2 -81.0-104.7 -30.7 6.9 -13.1 25.4 50 65 A G E -E 40 0A 0 -10,-1.7 -10,-2.3 121,-0.3 2,-0.3 -0.837 53.1 -59.9 163.7-135.1 6.3 -11.2 28.7 51 66 A I E -EG 39 77A 0 26,-0.6 26,-2.9 -12,-0.3 2,-0.3 -0.898 26.3-123.6-146.5 161.3 3.8 -11.1 31.6 52 67 A T E - G 0 76A 0 -14,-2.2 -14,-0.3 -2,-0.3 2,-0.3 -0.838 33.2-176.9-102.5 159.1 0.1 -10.4 32.5 53 68 A A E + G 0 75A 0 22,-1.7 22,-2.7 -2,-0.3 2,-0.3 -0.904 25.7 68.8-162.3 122.5 -0.5 -7.6 35.2 54 69 A G E -DG 36 74A 0 -18,-2.0 -18,-2.2 -2,-0.3 2,-0.4 -0.983 62.7 -56.0 166.4-145.3 -3.6 -6.2 36.9 55 70 A L E -DG 35 73A 12 18,-2.4 18,-2.4 -2,-0.3 2,-0.5 -0.989 18.3-158.1-142.6 133.1 -6.5 -6.7 39.2 56 71 A C E -DG 34 72A 7 -22,-1.8 -22,-3.2 -2,-0.4 2,-0.5 -0.966 13.4-157.5-109.0 129.4 -9.5 -9.1 39.9 57 72 A V E -DG 33 71A 7 14,-3.0 14,-2.5 -2,-0.5 -24,-0.2 -0.909 21.5-127.0-103.3 118.2 -12.4 -7.7 41.9 58 73 A V E + G 0 70A 0 -26,-2.2 -27,-0.6 -2,-0.5 12,-0.2 -0.501 30.3 175.8 -68.3 126.7 -14.5 -10.5 43.6 59 74 A I E - 0 0 3 10,-3.0 -29,-0.4 1,-0.4 2,-0.3 0.808 59.6 -28.1 -95.8 -45.8 -18.2 -10.1 42.7 60 75 A E E - G 0 69A 33 9,-1.3 9,-2.4 -31,-0.2 -1,-0.4 -0.967 53.0-111.6-168.6 146.6 -19.8 -13.3 44.3 61 76 A H E - G 0 68A 56 -2,-0.3 7,-0.2 7,-0.2 -31,-0.1 -0.677 25.0-155.0 -76.5 144.2 -19.1 -16.9 45.3 62 77 A V E > > + G 0 67A 7 5,-2.8 5,-1.9 -2,-0.3 3,-1.0 -0.804 15.1 178.4-126.2 79.0 -21.1 -19.3 43.1 63 78 A P G > 5S+ 0 0 76 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.787 76.9 59.3 -59.3 -30.5 -21.4 -22.4 45.4 64 79 A E G 3 5S+ 0 0 147 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.735 114.5 35.2 -68.5 -32.0 -23.5 -24.4 42.8 65 80 A K G < 5S- 0 0 111 -3,-1.0 -1,-0.2 2,-0.1 3,-0.1 0.297 109.3-125.9-102.3 6.4 -20.7 -24.2 40.2 66 81 A K T < 5S+ 0 0 181 -3,-0.6 2,-0.2 -4,-0.4 -2,-0.1 0.905 75.7 87.9 47.0 54.3 -18.0 -24.5 43.0 67 82 A G E - 0 0 0 4,-2.9 3,-2.0 -2,-0.5 4,-0.2 -0.373 41.6-115.4-116.2 48.1 4.8 -8.5 24.6 79 94 A G G > S- 0 0 15 1,-0.3 3,-0.9 2,-0.2 -1,-0.4 -0.293 89.7 -8.3 53.4-130.5 8.3 -7.2 25.3 80 95 A D G 3 S+ 0 0 114 89,-1.0 -1,-0.3 1,-0.2 26,-0.1 0.626 125.7 74.3 -76.1 -14.2 9.2 -4.5 22.6 81 96 A Y G < S- 0 0 59 -3,-2.0 25,-3.3 1,-0.2 26,-0.5 0.812 101.5-125.0 -61.1 -32.6 6.1 -5.2 20.5 82 97 A G E < - 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