==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-MAY-99 1CL6 . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR S.-Y.PARK,Y.SHIRO . 399 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18313.0 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 . 29 7.3 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 . 1 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 . 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 . 21 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 38.8 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 2 0 2 0 2 2 0 2 1 1 0 0 0 1 1 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 . 1 4 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 . 2 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 89 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 130.4 32.0 -10.8 22.0 2 6 A P - 0 0 69 0, 0.0 29,-2.9 0, 0.0 2,-0.2 -0.398 360.0 -95.7 -75.9 153.2 35.2 -11.1 19.9 3 7 A S B -a 31 0A 92 27,-0.2 29,-0.2 -2,-0.1 30,-0.0 -0.448 50.4-120.3 -70.0 135.3 38.7 -10.8 21.3 4 8 A F S S+ 0 0 11 27,-2.8 29,-0.4 -2,-0.2 2,-0.2 -0.970 85.8 53.8-131.9 147.1 40.3 -7.4 21.2 5 9 A P S S- 0 0 38 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.390 85.2-142.5 -60.2 147.2 42.7 -6.0 20.1 6 10 A F - 0 0 11 -2,-0.2 2,-0.4 1,-0.1 -2,-0.1 -0.439 16.4-109.2 -81.0 160.4 41.9 -7.3 16.6 7 11 A S - 0 0 61 -2,-0.1 9,-0.5 7,-0.1 380,-0.3 -0.756 34.4-103.8 -95.6 138.6 44.6 -8.4 14.2 8 12 A R B -F 15 0B 7 378,-3.3 3,-0.1 -2,-0.4 -1,-0.1 -0.332 25.6-127.9 -58.2 136.8 45.4 -6.3 11.2 9 13 A A S S- 0 0 55 5,-1.0 2,-0.3 1,-0.1 -1,-0.1 0.915 86.2 -10.6 -51.8 -47.8 44.0 -7.9 8.0 10 14 A S S > S- 0 0 37 3,-0.3 3,-1.3 4,-0.2 -1,-0.1 -0.919 91.4 -74.8-146.7 170.5 47.5 -7.6 6.4 11 15 A G T 3 S+ 0 0 16 -2,-0.3 380,-0.4 1,-0.3 373,-0.2 0.824 129.2 19.8 -33.9 -61.0 50.8 -6.0 7.0 12 16 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 378,-0.1 0.402 109.5 94.9 -96.0 2.0 49.8 -2.4 6.1 13 17 A E S < S- 0 0 97 -3,-1.3 -3,-0.3 1,-0.1 3,-0.1 -0.626 72.9-117.7 -98.9 153.9 46.0 -2.8 6.5 14 18 A P - 0 0 19 0, 0.0 -5,-1.0 0, 0.0 -4,-0.2 -0.389 54.5 -71.2 -79.4 162.7 43.7 -2.1 9.4 15 19 A P B > -F 8 0B 10 0, 0.0 3,-0.5 0, 0.0 4,-0.5 -0.262 39.7-132.5 -54.1 141.4 41.8 -4.9 11.1 16 20 A A T 3> S+ 0 0 45 -9,-0.5 4,-1.0 1,-0.2 3,-0.4 0.781 96.9 73.9 -66.0 -27.7 39.0 -6.1 8.8 17 21 A E H 3> S+ 0 0 71 -10,-0.2 4,-2.3 1,-0.2 3,-0.2 0.872 84.3 63.7 -53.7 -46.3 36.5 -6.0 11.7 18 22 A F H <> S+ 0 0 6 -3,-0.5 4,-3.0 1,-0.2 5,-0.2 0.871 98.0 52.2 -50.1 -50.4 36.1 -2.2 11.8 19 23 A A H > S+ 0 0 47 -4,-0.5 4,-1.5 -3,-0.4 -1,-0.2 0.934 113.0 46.1 -54.1 -47.8 34.6 -1.8 8.4 20 24 A K H X S+ 0 0 140 -4,-1.0 4,-2.4 -3,-0.2 5,-0.4 0.883 113.5 49.3 -62.7 -40.7 31.9 -4.4 9.2 21 25 A L H X S+ 0 0 27 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 106.2 54.9 -67.0 -42.6 31.3 -2.8 12.6 22 26 A R H < S+ 0 0 15 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.866 116.1 40.3 -60.0 -33.5 30.9 0.7 11.3 23 27 A A H < S+ 0 0 74 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.835 134.0 14.2 -85.2 -35.3 28.2 -0.6 8.9 24 28 A T H < S+ 0 0 118 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.645 137.7 13.7-117.1 -19.9 26.3 -3.0 11.1 25 29 A N < + 0 0 58 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.1 -0.344 58.0 173.1-160.1 70.3 27.2 -2.5 14.7 26 30 A P S S+ 0 0 38 0, 0.0 16,-1.8 0, 0.0 2,-0.5 0.698 78.9 40.2 -51.0 -33.0 29.1 0.8 15.4 27 31 A V E S+ B 0 41A 1 14,-0.2 2,-0.3 -6,-0.1 14,-0.2 -0.946 83.1 144.3-125.8 106.6 29.0 0.5 19.2 28 32 A S E - B 0 40A 9 12,-1.8 12,-3.9 -2,-0.5 2,-0.4 -0.860 47.1 -99.4-137.9 172.4 29.6 -3.0 20.4 29 33 A Q E - B 0 39A 70 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.786 32.0-172.7 -99.4 136.8 31.2 -5.1 23.1 30 34 A V E - B 0 38A 0 8,-2.8 8,-1.9 -2,-0.4 2,-0.5 -0.866 23.1-119.6-121.9 158.1 34.6 -6.8 22.8 31 35 A K E -aB 3 37A 100 -29,-2.9 -27,-2.8 -2,-0.3 6,-0.2 -0.858 24.6-147.7-102.7 130.7 36.4 -9.2 25.1 32 36 A L > - 0 0 4 4,-3.4 3,-2.8 -2,-0.5 36,-0.1 -0.465 34.3 -92.5 -92.2 166.5 39.8 -8.3 26.6 33 37 A F T 3 S+ 0 0 97 -29,-0.4 35,-0.1 1,-0.3 -1,-0.1 0.784 125.3 49.7 -46.9 -38.2 42.6 -10.6 27.5 34 38 A D T 3 S- 0 0 66 33,-0.3 -1,-0.3 35,-0.0 3,-0.1 0.435 122.8-102.7 -84.9 1.7 41.5 -11.1 31.1 35 39 A G S < S+ 0 0 31 -3,-2.8 -2,-0.1 1,-0.3 -1,-0.0 0.262 80.4 132.6 97.1 -12.4 38.0 -11.9 30.0 36 40 A S - 0 0 48 -5,-0.1 -4,-3.4 1,-0.1 -1,-0.3 -0.231 51.2-126.6 -68.1 162.3 36.6 -8.4 30.9 37 41 A L E -B 31 0A 81 -6,-0.2 269,-0.6 -3,-0.1 2,-0.3 -0.776 24.2-177.9-112.3 157.8 34.4 -6.6 28.4 38 42 A A E -Bc 30 306A 2 -8,-1.9 -8,-2.8 -2,-0.3 2,-0.5 -0.976 31.5-109.0-149.7 154.9 34.7 -3.1 26.9 39 43 A W E -Bc 29 307A 25 267,-2.7 269,-3.4 -2,-0.3 2,-0.6 -0.777 29.5-151.1 -89.7 125.9 32.6 -1.1 24.5 40 44 A L E -Bc 28 308A 0 -12,-3.9 -12,-1.8 -2,-0.5 2,-0.5 -0.888 6.8-161.6-102.6 121.1 34.3 -0.6 21.1 41 45 A V E +Bc 27 309A 0 267,-2.9 269,-2.4 -2,-0.6 -14,-0.2 -0.888 17.3 166.8-103.3 128.5 33.5 2.6 19.3 42 46 A T + 0 0 0 -16,-1.8 2,-0.3 -2,-0.5 -1,-0.1 0.626 43.6 90.2-117.5 -18.4 34.2 2.7 15.5 43 47 A K S > S- 0 0 17 -17,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.639 73.6-127.3 -87.1 141.0 32.5 5.7 14.0 44 48 A H H > S+ 0 0 7 -2,-0.3 4,-2.3 270,-0.2 5,-0.2 0.900 108.7 49.9 -48.3 -52.0 34.2 9.1 13.7 45 49 A K H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.868 114.1 45.5 -59.1 -38.6 31.4 11.0 15.4 46 50 A D H > S+ 0 0 19 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.851 108.9 55.1 -75.0 -34.3 31.3 8.6 18.3 47 51 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.910 108.7 49.2 -64.5 -39.5 35.1 8.5 18.7 48 52 A C H X S+ 0 0 20 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.895 109.8 52.0 -65.3 -40.1 35.1 12.3 19.0 49 53 A F H >X S+ 0 0 83 -4,-1.5 4,-2.3 -5,-0.2 3,-0.8 0.955 110.2 47.5 -60.6 -50.8 32.3 12.1 21.6 50 54 A V H 3< S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 109.7 54.0 -57.7 -43.9 34.2 9.5 23.6 51 55 A A H 3< S+ 0 0 7 -4,-2.3 295,-0.4 1,-0.2 294,-0.2 0.734 120.9 29.8 -64.3 -23.3 37.4 11.7 23.5 52 56 A T H << S+ 0 0 68 -4,-1.2 -2,-0.2 -3,-0.8 -1,-0.2 0.586 83.3 121.8-114.3 -13.8 35.7 14.8 24.8 53 57 A S >< - 0 0 11 -4,-2.3 3,-1.5 -5,-0.2 -4,-0.0 -0.332 49.5-153.4 -60.2 124.3 32.9 13.5 27.1 54 58 A E T 3 S+ 0 0 157 1,-0.3 -1,-0.2 -2,-0.1 -4,-0.0 0.602 92.9 68.7 -71.1 -12.4 33.3 14.9 30.6 55 59 A K T 3 S+ 0 0 87 236,-0.1 236,-3.0 235,-0.0 237,-0.8 0.446 90.9 76.3 -86.1 -0.7 31.4 11.8 31.9 56 60 A L E < -D 290 0A 7 -3,-1.5 2,-0.3 234,-0.2 234,-0.2 -0.867 66.9-153.8-113.6 147.9 34.3 9.6 30.9 57 61 A S E -D 289 0A 0 232,-2.7 232,-1.2 -2,-0.3 29,-0.1 -0.893 22.2-160.4-125.1 151.2 37.6 9.2 32.7 58 62 A K + 0 0 16 -2,-0.3 2,-0.4 230,-0.2 -1,-0.1 0.399 55.9 123.0-102.3 -2.3 41.2 8.2 31.9 59 63 A V > - 0 0 40 1,-0.1 3,-1.0 230,-0.1 26,-0.1 -0.493 50.1-157.2 -66.4 119.8 42.1 7.3 35.5 60 64 A R T 3 S+ 0 0 56 -2,-0.4 -1,-0.1 24,-0.3 5,-0.1 0.455 84.0 70.7 -80.1 -2.6 43.3 3.7 35.4 61 65 A T T 3 S+ 0 0 118 2,-0.1 2,-0.4 3,-0.1 -1,-0.2 0.446 77.2 103.0 -90.4 -0.9 42.6 2.9 39.1 62 66 A R S X S- 0 0 97 -3,-1.0 3,-1.6 1,-0.1 2,-0.1 -0.677 84.7-111.5 -82.6 130.3 38.9 3.0 38.2 63 67 A Q T 3 S+ 0 0 171 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 -0.394 101.5 35.3 -64.0 136.7 37.4 -0.4 38.0 64 68 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.2 -4,-0.1 242,-0.2 0.309 75.6 150.7 103.2 -7.4 36.5 -1.3 34.4 65 69 A F < - 0 0 21 -3,-1.6 2,-1.8 -5,-0.1 -1,-0.3 -0.368 54.3-115.9 -60.4 133.1 39.3 0.5 32.7 66 70 A P + 0 0 1 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.471 39.1 177.0 -75.1 79.3 40.2 -1.3 29.5 67 71 A E - 0 0 13 -2,-1.8 -33,-0.3 1,-0.1 -34,-0.1 -0.704 15.0-159.8 -79.9 130.4 43.7 -2.6 30.0 68 72 A L + 0 0 28 -2,-0.4 2,-0.3 -36,-0.1 -35,-0.2 0.453 64.0 26.2 -93.7 -0.9 44.6 -4.6 26.9 69 73 A S S > S- 0 0 46 1,-0.1 4,-1.6 -37,-0.1 -1,-0.0 -0.983 79.8-104.3-155.7 165.3 47.5 -6.7 28.3 70 74 A A H > S+ 0 0 63 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.882 121.0 48.2 -58.0 -42.9 49.0 -8.3 31.4 71 75 A S H > S+ 0 0 73 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.847 104.0 61.4 -68.3 -34.8 51.7 -5.6 31.6 72 76 A G H > S+ 0 0 12 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.902 101.6 52.1 -58.0 -42.4 49.1 -2.8 31.1 73 77 A K H < S+ 0 0 96 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 111.6 47.6 -63.2 -34.0 47.4 -3.9 34.4 74 78 A Q H >< S+ 0 0 137 -4,-1.0 3,-1.9 1,-0.2 4,-0.4 0.923 106.8 54.4 -73.2 -45.8 50.7 -3.7 36.2 75 79 A A H >< S+ 0 0 60 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.766 94.4 73.5 -59.1 -25.4 51.8 -0.3 34.8 76 80 A A T 3< S+ 0 0 14 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.576 86.9 64.1 -67.0 -9.5 48.4 1.0 36.1 77 81 A K T < S+ 0 0 160 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.2 0.834 82.0 89.0 -85.3 -34.4 49.7 0.9 39.7 78 82 A A S < S- 0 0 70 -3,-0.7 -3,-0.0 -4,-0.4 0, 0.0 -0.028 97.9 -76.8 -59.6 165.5 52.5 3.4 39.5 79 83 A K - 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