==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-NOV-00 1GEJ . COMPND 2 MOLECULE: CYTOCHROME P450 55A1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR D.-S.LEE,S.-Y.PARK,K.YAMANE,Y.SHIRO . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 3 0 2 0 2 2 0 2 2 1 0 0 0 1 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 5 2 0 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 . 3 1 0 0 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 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 5 A A 0 0 87 0, 0.0 29,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 119.4 32.1 -11.0 21.7 2 6 A P - 0 0 72 0, 0.0 29,-3.3 0, 0.0 2,-0.2 -0.336 360.0 -94.9 -73.8 155.7 35.2 -11.2 19.5 3 7 A S B -a 31 0A 93 27,-0.2 29,-0.2 -2,-0.0 30,-0.0 -0.465 50.9-119.0 -70.7 138.1 38.7 -11.1 21.0 4 8 A F S S+ 0 0 9 27,-2.6 29,-0.3 -2,-0.2 2,-0.2 -0.986 84.7 51.3-135.8 146.6 40.4 -7.6 20.9 5 9 A P S S- 0 0 43 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.397 83.9-142.6 -59.7 152.2 42.8 -6.2 19.8 6 10 A F - 0 0 15 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 -0.443 15.5-109.0 -85.1 164.0 42.1 -7.4 16.2 7 11 A S - 0 0 60 -2,-0.1 9,-0.5 1,-0.1 10,-0.3 -0.761 35.6-101.1 -97.9 142.6 44.8 -8.4 13.8 8 12 A R E -F 15 0B 9 378,-2.7 3,-0.1 -2,-0.3 -1,-0.1 -0.293 27.2-124.5 -58.2 143.4 45.7 -6.3 10.8 9 13 A A E S- 0 0 54 5,-1.8 2,-0.3 1,-0.2 -1,-0.1 0.774 86.5 -23.3 -61.8 -26.4 44.2 -7.7 7.6 10 14 A S E > S-F 13 0B 35 3,-0.6 3,-1.5 1,-0.1 -1,-0.2 -0.954 90.9 -63.7-170.6 173.8 47.7 -7.7 6.2 11 15 A G T 3 S+ 0 0 15 -2,-0.3 380,-0.4 1,-0.3 373,-0.2 0.837 131.8 20.7 -35.0 -63.0 51.1 -6.0 6.6 12 16 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.3 0, 0.0 378,-0.1 0.327 110.2 93.2 -94.1 6.3 50.0 -2.4 5.6 13 17 A E E < S-F 10 0B 93 -3,-1.5 -3,-0.6 1,-0.1 3,-0.1 -0.703 71.4-120.5-105.6 153.6 46.2 -2.9 6.3 14 18 A P E - 0 0 20 0, 0.0 -5,-1.8 0, 0.0 -4,-0.1 -0.293 55.7 -68.7 -79.3 170.2 44.0 -2.2 9.3 15 19 A P E > -F 8 0B 11 0, 0.0 3,-0.6 0, 0.0 4,-0.4 -0.355 41.0-132.9 -58.3 143.0 42.0 -5.0 10.9 16 20 A A T 3> S+ 0 0 45 -9,-0.5 4,-1.0 1,-0.2 3,-0.4 0.735 97.0 74.6 -69.2 -23.1 39.2 -6.2 8.5 17 21 A E H 3> S+ 0 0 73 -10,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.854 82.9 65.4 -58.2 -41.0 36.7 -6.1 11.4 18 22 A F H <> S+ 0 0 6 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.871 98.3 49.6 -54.3 -47.8 36.4 -2.3 11.5 19 23 A A H > S+ 0 0 44 -4,-0.4 4,-1.5 -3,-0.4 -1,-0.2 0.916 113.2 48.4 -60.3 -41.4 34.8 -1.7 8.2 20 24 A K H X S+ 0 0 142 -4,-1.0 4,-2.2 1,-0.2 5,-0.4 0.896 113.1 47.6 -65.3 -40.1 32.2 -4.4 8.9 21 25 A L H X S+ 0 0 26 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.906 107.1 55.2 -68.7 -42.1 31.5 -2.9 12.3 22 26 A R H < S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.1 41.9 -58.9 -34.5 31.1 0.6 11.0 23 27 A A H < S+ 0 0 73 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.841 134.0 12.1 -82.7 -35.4 28.5 -0.7 8.6 24 28 A T H < S+ 0 0 117 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.646 138.2 14.1-119.3 -20.3 26.5 -3.1 10.8 25 29 A N < + 0 0 59 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 -0.392 58.3 171.4-159.0 69.9 27.4 -2.6 14.5 26 30 A P S S+ 0 0 37 0, 0.0 16,-1.8 0, 0.0 2,-0.5 0.708 78.6 41.7 -56.2 -28.6 29.4 0.7 15.1 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.950 83.1 145.5-125.0 108.9 29.2 0.4 18.9 28 32 A S E - B 0 40A 8 12,-1.9 12,-4.1 -2,-0.5 2,-0.3 -0.931 46.5-103.4-141.7 164.5 29.8 -3.2 20.1 29 33 A Q E - B 0 39A 69 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.693 31.6-171.7 -92.8 140.7 31.3 -5.2 22.8 30 34 A V E - B 0 38A 0 8,-3.1 8,-1.9 -2,-0.3 2,-0.5 -0.881 23.8-117.1-124.8 159.5 34.7 -7.0 22.5 31 35 A K E -aB 3 37A 97 -29,-3.3 -27,-2.6 -2,-0.3 6,-0.2 -0.867 26.5-148.4-101.8 127.4 36.4 -9.5 24.8 32 36 A L > - 0 0 7 4,-3.3 3,-2.6 -2,-0.5 36,-0.1 -0.381 35.2 -92.4 -87.3 168.9 39.8 -8.5 26.3 33 37 A F T 3 S+ 0 0 97 -29,-0.3 35,-0.1 1,-0.3 -1,-0.1 0.780 125.5 52.1 -51.6 -32.7 42.7 -10.8 27.2 34 38 A D T 3 S- 0 0 66 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.377 121.7-103.5 -88.0 4.8 41.4 -11.3 30.7 35 39 A G S < S+ 0 0 34 -3,-2.6 -2,-0.1 1,-0.3 -1,-0.0 0.289 80.4 131.9 92.5 -10.7 37.9 -12.2 29.6 36 40 A S - 0 0 49 -5,-0.1 -4,-3.3 1,-0.1 -1,-0.3 -0.304 52.5-126.5 -72.1 159.9 36.5 -8.8 30.5 37 41 A L E +B 31 0A 85 -6,-0.2 269,-0.5 -3,-0.1 2,-0.3 -0.720 26.1 180.0-106.3 158.0 34.3 -7.0 28.0 38 42 A A E -Bc 30 306A 2 -8,-1.9 -8,-3.1 -2,-0.3 2,-0.5 -0.975 31.1-106.8-152.2 156.7 34.7 -3.5 26.6 39 43 A W E -Bc 29 307A 22 267,-3.0 269,-3.4 -2,-0.3 2,-0.6 -0.760 27.1-153.5 -90.8 130.1 32.8 -1.3 24.2 40 44 A L E -Bc 28 308A 0 -12,-4.1 -12,-1.9 -2,-0.5 2,-0.5 -0.918 5.8-162.2-107.4 121.1 34.5 -0.7 20.8 41 45 A V E +Bc 27 309A 0 267,-2.8 269,-2.4 -2,-0.6 -14,-0.2 -0.895 15.8 168.9-103.9 128.9 33.6 2.5 19.0 42 46 A T + 0 0 0 -16,-1.8 2,-0.3 -2,-0.5 -20,-0.1 0.578 43.7 89.1-118.1 -15.0 34.4 2.6 15.3 43 47 A K S > S- 0 0 16 -17,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.704 74.1-125.9 -93.5 143.0 32.7 5.6 13.8 44 48 A H H > S+ 0 0 7 -2,-0.3 4,-2.5 270,-0.3 5,-0.2 0.891 109.2 49.9 -47.3 -52.5 34.4 9.0 13.6 45 49 A K H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 114.2 45.8 -57.4 -42.1 31.6 10.9 15.3 46 50 A D H > S+ 0 0 20 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.856 109.4 53.7 -70.9 -36.7 31.5 8.4 18.2 47 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 109.5 49.5 -63.9 -41.5 35.3 8.4 18.6 48 52 A C H X S+ 0 0 19 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.880 109.9 51.8 -63.7 -37.4 35.2 12.2 18.9 49 53 A F H >X S+ 0 0 79 -4,-1.6 4,-2.1 -5,-0.2 3,-0.6 0.936 110.7 46.7 -63.9 -47.5 32.5 11.8 21.5 50 54 A V H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.892 109.3 56.4 -61.6 -38.7 34.5 9.3 23.5 51 55 A A H 3< S+ 0 0 7 -4,-2.4 295,-0.3 1,-0.2 294,-0.3 0.747 120.4 26.9 -66.2 -24.6 37.5 11.5 23.3 52 56 A T H << S+ 0 0 72 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.557 83.4 122.4-117.3 -11.0 35.8 14.6 24.8 53 57 A S >< - 0 0 10 -4,-2.1 3,-1.5 1,-0.2 -4,-0.0 -0.356 49.0-153.0 -61.1 124.8 33.0 13.3 27.1 54 58 A E T 3 S+ 0 0 158 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.0 0.563 92.7 68.7 -73.4 -7.5 33.4 14.5 30.6 55 59 A K T 3 S+ 0 0 88 236,-0.1 236,-3.3 2,-0.0 237,-0.8 0.441 91.3 76.4 -88.6 -1.7 31.5 11.4 31.8 56 60 A L E < -D 290 0A 7 -3,-1.5 2,-0.3 234,-0.2 234,-0.2 -0.834 68.2-151.1-111.9 151.0 34.4 9.3 30.8 57 61 A S E -D 289 0A 0 232,-2.6 232,-1.3 -2,-0.3 29,-0.1 -0.929 21.4-161.4-127.2 147.0 37.8 8.8 32.6 58 62 A K + 0 0 16 -2,-0.3 2,-0.3 230,-0.2 -1,-0.1 0.462 56.5 122.4 -97.2 -6.6 41.4 8.0 31.6 59 63 A V > - 0 0 40 1,-0.1 3,-1.0 230,-0.1 26,-0.1 -0.420 51.7-155.5 -64.0 123.0 42.3 6.9 35.2 60 64 A R T 3 S+ 0 0 57 24,-0.4 -1,-0.1 -2,-0.3 5,-0.1 0.537 85.0 69.9 -79.2 -6.7 43.6 3.4 35.1 61 65 A T T 3 S+ 0 0 120 2,-0.1 2,-0.5 3,-0.1 -1,-0.2 0.472 75.8 102.0 -88.3 -2.6 42.8 2.6 38.7 62 66 A R S X S- 0 0 93 -3,-1.0 3,-1.9 1,-0.1 2,-0.1 -0.695 83.6-116.6 -82.0 127.6 39.1 2.7 37.9 63 67 A Q T 3 S+ 0 0 178 -2,-0.5 -2,-0.1 1,-0.3 -1,-0.1 -0.428 101.7 41.0 -63.9 138.3 37.7 -0.9 37.6 64 68 A G T 3 S+ 0 0 31 1,-0.4 -1,-0.3 -4,-0.1 224,-0.1 0.170 74.7 144.1 108.1 -16.9 36.6 -1.4 34.1 65 69 A F < - 0 0 22 -3,-1.9 2,-1.8 1,-0.1 -1,-0.4 -0.364 58.4-116.6 -58.7 129.4 39.5 0.4 32.4 66 70 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.440 38.1 177.8 -72.7 77.7 40.3 -1.5 29.2 67 71 A E - 0 0 13 -2,-1.8 -33,-0.3 1,-0.1 -34,-0.2 -0.673 13.2-161.5 -78.0 129.9 43.8 -2.9 29.6 68 72 A L + 0 0 25 -2,-0.4 2,-0.3 -36,-0.1 -35,-0.2 0.506 63.2 29.1 -93.8 -5.9 44.6 -4.9 26.5 69 73 A S S > S- 0 0 45 1,-0.1 4,-1.7 -37,-0.1 5,-0.1 -0.964 79.0-108.3-148.7 166.0 47.5 -7.0 27.8 70 74 A A H > S+ 0 0 60 -2,-0.3 4,-1.5 1,-0.2 3,-0.2 0.919 120.4 49.9 -60.9 -45.1 49.0 -8.6 30.9 71 75 A S H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 105.7 58.2 -61.8 -38.5 51.8 -6.0 30.9 72 76 A G H > S+ 0 0 12 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.893 103.1 51.8 -58.4 -41.6 49.3 -3.2 30.6 73 77 A K H < S+ 0 0 96 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.884 110.9 49.1 -63.7 -36.7 47.5 -4.3 33.7 74 78 A Q H >< S+ 0 0 139 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.892 107.2 52.4 -69.7 -42.6 50.9 -4.2 35.6 75 79 A A H >< S+ 0 0 58 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.785 94.7 73.3 -65.0 -26.8 52.0 -0.8 34.5 76 80 A A T 3< S+ 0 0 14 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.632 85.4 67.2 -63.7 -12.3 48.6 0.6 35.6 77 81 A K T < S+ 0 0 164 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.605 82.5 92.5 -85.8 -11.6 49.8 0.2 39.2 78 82 A A S < S- 0 0 69 -3,-1.8 -3,-0.0 -4,-0.2 0, 0.0 -0.356 94.8 -82.4 -80.9 161.6 52.5 2.9 39.0 79 83 A K - 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