==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-APR-08 3CV8 . COMPND 2 MOLECULE: CYTOCHROME P450-SU1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEOLUS; . AUTHOR K.HAYASHI,H.SUGIMOTO,R.SHINKYO,M.YAMADA,S.IKEDA,S.IKUSHIRO, . 402 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 1 2 0 3 1 0 1 2 0 0 0 0 0 2 0 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 1 2 3 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 . 1 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 7 A T 0 0 166 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.8 0.4 -29.9 31.7 2 8 A P - 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.394 360.0-161.4 -66.1 143.9 3.3 -27.9 30.3 3 9 A Q + 0 0 159 2,-0.1 0, 0.0 -2,-0.1 0, 0.0 0.331 44.4 132.5-105.7 1.3 2.2 -24.4 29.1 4 10 A T - 0 0 139 2,-0.1 2,-0.3 1,-0.0 0, 0.0 -0.272 35.8-172.5 -53.7 135.4 5.4 -23.9 27.0 5 11 A T - 0 0 83 1,-0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.929 32.7-144.6-130.9 154.7 4.4 -22.6 23.5 6 12 A D S S+ 0 0 126 -2,-0.3 30,-0.4 1,-0.2 -2,-0.1 0.300 99.9 54.7-103.4 12.5 6.3 -22.0 20.3 7 13 A A S S- 0 0 2 28,-0.1 30,-0.3 39,-0.0 -1,-0.2 -0.622 83.4-165.7-133.1 73.3 4.2 -19.0 19.4 8 14 A P - 0 0 42 0, 0.0 30,-2.7 0, 0.0 2,-0.1 -0.158 34.5 -85.8 -60.2 154.5 4.5 -16.8 22.6 9 15 A A B -a 38 0A 77 28,-0.2 30,-0.2 31,-0.0 31,-0.0 -0.391 56.3-127.9 -57.4 134.4 2.1 -13.9 23.1 10 16 A F S S+ 0 0 6 28,-2.4 30,-0.4 -3,-0.1 2,-0.2 -0.995 74.0 35.9-139.4 140.7 3.3 -10.7 21.4 11 17 A P S S- 0 0 21 0, 0.0 2,-0.3 0, 0.0 377,-0.1 0.574 70.8-167.0 -74.1 176.7 3.9 -7.8 22.2 12 18 A S - 0 0 31 -2,-0.2 2,-0.3 375,-0.1 -2,-0.0 -0.872 20.5-111.1-124.1 161.6 5.2 -7.9 25.7 13 19 A N - 0 0 101 -2,-0.3 9,-0.2 373,-0.1 2,-0.2 -0.693 26.2-115.2 -96.5 144.6 5.7 -5.0 28.2 14 20 A R - 0 0 15 371,-0.5 370,-0.2 -2,-0.3 6,-0.1 -0.550 20.2-172.6 -70.2 141.9 8.9 -3.6 29.4 15 21 A S S S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.605 84.7 40.9-101.7 -25.5 9.7 -4.0 33.1 16 22 A C S > S- 0 0 32 3,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.993 86.3-132.7-121.5 130.4 12.8 -1.7 32.7 17 23 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.783 104.8 33.3 -53.1 -32.8 12.5 1.4 30.5 18 24 A Y T 3 S+ 0 0 29 2,-0.1 2,-0.3 234,-0.1 265,-0.1 0.099 106.1 79.6-116.3 21.1 15.7 0.6 28.7 19 25 A Q S < S- 0 0 57 -3,-1.8 -3,-0.3 263,-0.1 -4,-0.2 -0.945 83.5-102.1-125.1 148.8 15.8 -3.2 28.6 20 26 A L - 0 0 11 -2,-0.3 -5,-0.1 1,-0.1 -2,-0.1 -0.375 46.1 -98.3 -57.9 142.2 14.0 -5.7 26.4 21 27 A P >> - 0 0 3 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.397 38.1-110.3 -52.0 140.9 11.0 -7.4 27.8 22 28 A D H 3> S+ 0 0 122 1,-0.3 4,-1.6 -9,-0.2 5,-0.1 0.872 121.3 54.3 -41.0 -48.7 12.0 -10.8 29.1 23 29 A G H 3> S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.848 107.8 49.9 -54.9 -36.4 10.0 -12.4 26.2 24 30 A Y H <> S+ 0 0 1 -3,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.875 105.3 54.4 -77.7 -37.2 11.9 -10.3 23.7 25 31 A A H X S+ 0 0 25 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.854 110.1 50.2 -61.1 -34.6 15.3 -11.2 25.0 26 32 A Q H X S+ 0 0 132 -4,-1.6 4,-1.3 -5,-0.3 3,-0.3 0.940 110.3 47.3 -66.7 -50.1 14.2 -14.8 24.5 27 33 A L H >< S+ 0 0 7 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.929 111.2 53.3 -54.6 -45.0 13.1 -14.1 21.0 28 34 A R H 3< S+ 0 0 36 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.828 108.2 51.2 -56.7 -36.8 16.4 -12.4 20.4 29 35 A D H 3< S+ 0 0 109 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.703 86.2 96.0 -79.6 -23.5 18.3 -15.4 21.6 30 36 A T S << S- 0 0 41 -4,-1.3 19,-0.1 -3,-0.7 -4,-0.0 -0.567 80.3-119.4 -73.2 124.7 16.5 -18.0 19.4 31 37 A P S S+ 0 0 123 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.223 74.8 58.8 -59.4 152.7 18.6 -18.7 16.2 32 38 A G S S- 0 0 30 1,-0.1 17,-0.2 3,-0.0 268,-0.1 0.112 86.8-100.3 100.3 144.9 17.0 -17.9 12.9 33 39 A P S S+ 0 0 2 0, 0.0 16,-2.2 0, 0.0 17,-0.5 0.656 99.3 51.4 -73.2 -14.9 15.7 -14.6 11.5 34 40 A L E - B 0 48A 6 14,-0.2 2,-0.3 265,-0.1 14,-0.2 -0.949 55.3-177.8-133.1 142.4 12.0 -15.4 12.2 35 41 A H E - B 0 47A 42 12,-2.2 12,-2.4 -2,-0.3 2,-0.2 -0.995 27.9-117.5-137.3 145.6 9.8 -16.6 15.1 36 42 A R E + B 0 46A 59 -30,-0.4 2,-0.3 -2,-0.3 10,-0.2 -0.538 35.4 179.4 -76.0 142.2 6.1 -17.4 15.4 37 43 A V E - B 0 45A 0 8,-2.4 8,-1.8 -30,-0.3 2,-0.5 -0.949 27.3-125.4-138.6 160.6 4.0 -15.3 17.8 38 44 A T E -aB 9 44A 38 -30,-2.7 -28,-2.4 -2,-0.3 6,-0.2 -0.950 27.3-147.6-108.9 122.0 0.4 -15.2 19.0 39 45 A L > - 0 0 8 4,-3.2 3,-2.5 -2,-0.5 36,-0.1 -0.396 33.2 -91.9 -86.7 166.7 -1.3 -11.8 18.6 40 46 A Y T 3 S+ 0 0 87 -30,-0.4 35,-0.1 1,-0.3 -1,-0.1 0.654 122.9 49.6 -54.9 -27.1 -3.9 -10.4 20.9 41 47 A D T 3 S- 0 0 70 33,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.378 122.5 -97.9 -97.4 3.6 -6.9 -11.7 18.9 42 48 A G S < S+ 0 0 51 -3,-2.5 -2,-0.1 1,-0.4 2,-0.1 0.138 82.7 128.5 105.2 -17.0 -5.6 -15.3 18.6 43 49 A R - 0 0 86 31,-0.1 -4,-3.2 -5,-0.1 -1,-0.4 -0.349 52.8-128.3 -73.2 151.3 -4.1 -15.0 15.2 44 50 A Q E +B 38 0A 96 -6,-0.2 265,-0.4 -3,-0.1 2,-0.3 -0.642 30.8 165.2-101.5 155.5 -0.5 -16.0 14.5 45 51 A A E -B 37 0A 2 -8,-1.8 -8,-2.4 -2,-0.2 2,-0.3 -0.965 33.1-103.0-156.6 167.2 2.3 -14.0 12.8 46 52 A W E -Bc 36 310A 30 263,-2.6 265,-2.7 -2,-0.3 2,-0.4 -0.779 23.5-159.6 -95.2 145.8 6.0 -13.9 12.3 47 53 A V E -Bc 35 311A 0 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.5 -0.974 17.1-132.9-117.0 143.4 8.4 -11.6 14.0 48 54 A V E +Bc 34 312A 0 263,-2.3 265,-1.2 -2,-0.4 269,-0.3 -0.852 26.1 176.9 -95.3 126.1 11.9 -10.7 12.6 49 55 A T + 0 0 0 -16,-2.2 2,-0.3 -2,-0.5 -15,-0.1 0.252 50.2 69.9-120.4 5.6 14.4 -11.1 15.4 50 56 A K S > S- 0 0 38 -17,-0.5 4,-1.8 1,-0.1 267,-0.2 -0.950 73.8-124.6-131.9 153.6 17.8 -10.4 13.7 51 57 A H H > S+ 0 0 5 -2,-0.3 4,-1.9 266,-0.3 5,-0.1 0.902 103.5 41.2 -66.2 -54.0 19.4 -7.3 12.3 52 58 A E H > S+ 0 0 123 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 116.0 50.1 -67.5 -39.7 20.4 -8.2 8.7 53 59 A A H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.885 107.7 55.9 -65.6 -35.4 17.1 -10.1 8.1 54 60 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.940 110.6 43.6 -56.5 -50.6 15.2 -7.1 9.4 55 61 A R H X S+ 0 0 68 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.913 115.0 49.4 -59.4 -48.2 17.0 -4.8 6.8 56 62 A K H < S+ 0 0 135 -4,-2.6 4,-0.3 2,-0.2 -2,-0.2 0.937 115.6 42.8 -57.2 -47.7 16.5 -7.3 4.0 57 63 A L H >< S+ 0 0 3 -4,-2.9 3,-1.4 1,-0.2 6,-0.2 0.913 110.9 53.6 -70.8 -41.6 12.8 -7.8 4.8 58 64 A L H 3< S+ 0 0 20 -4,-2.7 288,-0.3 1,-0.3 289,-0.2 0.817 112.8 47.3 -59.5 -29.8 12.1 -4.0 5.3 59 65 A G T 3< S+ 0 0 42 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.471 88.8 101.8 -88.2 -4.3 13.6 -3.6 1.8 60 66 A D X - 0 0 17 -3,-1.4 3,-1.9 -4,-0.3 -4,-0.0 -0.737 61.0-154.1 -90.1 116.7 11.6 -6.3 0.2 61 67 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.665 89.3 75.7 -64.5 -13.1 8.7 -5.0 -1.9 62 68 A R T 3 S+ 0 0 99 1,-0.1 232,-2.8 231,-0.1 2,-0.8 0.589 81.6 75.9 -72.1 -12.3 6.9 -8.3 -1.4 63 69 A L E < S-D 293 0A 9 -3,-1.9 230,-0.2 -6,-0.2 2,-0.1 -0.904 80.1-153.9-100.9 104.9 6.1 -7.2 2.2 64 70 A S E -D 292 0A 5 228,-3.0 228,-1.9 -2,-0.8 29,-0.1 -0.462 18.1-150.3 -78.6 149.2 3.3 -4.6 1.9 65 71 A S + 0 0 3 226,-0.2 2,-0.8 -2,-0.1 -1,-0.1 0.290 50.1 137.1 -97.4 7.2 2.7 -1.9 4.4 66 72 A N > - 0 0 45 1,-0.2 3,-1.5 226,-0.2 26,-0.1 -0.378 32.6-173.6 -61.0 98.8 -1.1 -1.9 3.7 67 73 A R T 3 S+ 0 0 60 -2,-0.8 -1,-0.2 1,-0.3 25,-0.1 0.545 80.1 62.6 -77.2 -4.1 -2.6 -1.6 7.2 68 74 A T T 3 S+ 0 0 53 23,-0.2 -1,-0.3 16,-0.1 2,-0.2 0.387 76.3 116.1 -96.0 2.3 -6.2 -2.1 5.8 69 75 A D S X S- 0 0 50 -3,-1.5 3,-1.9 1,-0.1 14,-0.0 -0.513 74.4-126.7 -68.4 139.0 -5.3 -5.6 4.5 70 76 A D T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.766 110.2 48.1 -54.5 -30.1 -7.3 -8.4 6.2 71 77 A N T 3 S+ 0 0 74 2,-0.1 -1,-0.3 237,-0.1 222,-0.1 0.306 76.3 131.8 -99.8 10.3 -4.1 -10.1 7.1 72 78 A F S < S- 0 0 13 -3,-1.9 2,-2.3 1,-0.1 220,-0.1 -0.381 71.5-109.6 -58.4 134.6 -2.2 -7.1 8.5 73 79 A P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.422 38.9-163.7 -75.4 77.9 -0.7 -8.2 11.8 74 80 A A - 0 0 3 -2,-2.3 -33,-0.3 1,-0.1 -34,-0.2 -0.421 11.6-174.6 -59.9 125.1 -2.9 -6.2 14.2 75 81 A T - 0 0 5 -2,-0.2 -35,-0.3 1,-0.2 -1,-0.1 0.559 66.1 -0.6-100.1 -13.6 -1.2 -6.0 17.6 76 82 A S S > S- 0 0 10 -37,-0.1 3,-1.6 -36,-0.0 4,-0.5 -0.956 87.3 -83.4-162.2 168.6 -4.0 -4.2 19.5 77 83 A P T >> S+ 0 0 30 0, 0.0 4,-1.7 0, 0.0 3,-1.4 0.778 116.2 76.1 -51.8 -30.9 -7.5 -2.7 18.9 78 84 A F H 3> S+ 0 0 41 99,-0.3 4,-2.6 1,-0.3 5,-0.1 0.863 92.9 54.0 -43.9 -42.5 -5.8 0.5 17.7 79 85 A F H <> S+ 0 0 23 -3,-1.6 4,-2.5 2,-0.2 -1,-0.3 0.716 99.8 58.5 -71.0 -23.8 -5.2 -1.5 14.5 80 86 A E H <> S+ 0 0 66 -3,-1.4 4,-1.2 -4,-0.5 -1,-0.2 0.891 110.0 45.0 -66.4 -41.2 -8.9 -2.3 14.2 81 87 A A H < S+ 0 0 4 -4,-1.7 3,-0.5 2,-0.2 -2,-0.2 0.942 113.0 50.4 -64.0 -48.7 -9.4 1.4 14.1 82 88 A V H >< S+ 0 0 16 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.921 106.3 56.5 -50.9 -50.7 -6.5 1.8 11.6 83 89 A R H 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 113.6 38.3 -56.4 -35.4 -8.0 -0.9 9.3 84 90 A E T 3< S+ 0 0 142 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.202 106.3 81.9-105.9 18.7 -11.3 0.9 8.9 85 91 A S S < S- 0 0 15 -3,-1.7 99,-0.0 -4,-0.2 -4,-0.0 -0.860 90.2 -88.7-116.9 153.0 -9.9 4.4 8.7 86 92 A P - 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0 0 89 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.041 34.8-156.1 -46.1 144.1 -3.7 30.8 2.2 206 212 A G - 0 0 31 5,-0.2 9,-0.1 2,-0.1 8,-0.1 -0.751 13.1 -98.6-125.5 172.1 -1.5 29.9 5.2 207 213 A A S > S+ 0 0 80 -2,-0.2 4,-0.8 4,-0.1 -1,-0.1 -0.241 74.4 37.0 -78.3 168.2 2.0 29.1 6.3 208 214 A G H > S- 0 0 23 2,-0.2 4,-2.1 3,-0.2 -51,-0.3 0.038 101.8 -55.4 86.6 172.8 3.5 25.7 6.9 209 215 A L H > S+ 0 0 3 -53,-2.7 4,-2.6 2,-0.2 5,-0.2 0.891 133.4 51.6 -58.2 -45.0 3.2 22.3 5.2 210 216 A V H > S+ 0 0 3 -53,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.922 110.4 51.5 -59.6 -40.0 -0.6 22.1 5.6 211 217 A G H X S+ 0 0 2 -4,-0.8 4,-2.3 -54,-0.5 -1,-0.2 0.884 111.5 46.3 -60.7 -43.1 -0.8 25.6 3.9 212 218 A A H X S+ 0 0 46 -4,-2.1 4,-2.3 2,-0.2 5,-0.4 0.906 111.1 50.9 -68.8 -44.6 1.4 24.5 1.0 213 219 A L H <>S+ 0 0 2 -4,-2.6 5,-3.1 2,-0.2 6,-0.4 0.903 112.7 47.6 -59.1 -42.6 -0.6 21.2 0.5 214 220 A V H <>S+ 0 0 7 -4,-2.2 5,-0.9 -5,-0.2 -2,-0.2 0.957 116.6 42.3 -63.2 -48.5 -3.9 23.2 0.4 215 221 A A H <5S+ 0 0 62 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.757 131.3 18.3 -72.3 -28.2 -2.5 25.8 -2.0 216 222 A D T X5S+ 0 0 83 -4,-2.3 4,-1.5 -5,-0.1 6,-0.2 0.755 128.4 27.4-108.1 -82.0 -0.7 23.4 -4.3 217 223 A Q T 4>S+ 0 0 32 -5,-0.4 5,-2.5 1,-0.2 6,-0.8 0.860 123.4 46.6 -58.6 -44.9 -1.5 19.7 -4.3 218 224 A L T >4 - 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