==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 17-AUG-12 4B7D . COMPND 2 MOLECULE: CYTOCHROME P450 HYDROXYLASE PIKC; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR L.M.PODUST . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 6.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 34 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 329 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 1 0 1 5 5 4 3 0 0 4 2 0 2 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 4 4 0 2 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 . 4 2 0 2 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 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 14 A V 0 0 102 0, 0.0 2,-0.4 0, 0.0 30,-0.3 0.000 360.0 360.0 360.0 99.9 -12.6 17.2 15.1 2 15 A L E -a 31 0A 56 28,-1.5 30,-3.0 1,-0.1 2,-1.0 -0.662 360.0-135.7 -73.0 127.3 -12.3 17.8 11.4 3 16 A D E > -a 32 0A 54 -2,-0.4 4,-1.1 28,-0.2 3,-0.3 -0.781 22.4-176.9 -96.1 99.3 -14.9 15.7 9.6 4 17 A L H > S+ 0 0 2 28,-2.3 4,-0.5 -2,-1.0 29,-0.2 0.764 83.2 58.5 -64.6 -34.8 -13.2 14.1 6.7 5 18 A G H >4 S+ 0 0 30 27,-0.5 3,-1.4 28,-0.3 -1,-0.2 0.937 103.1 54.0 -54.6 -46.5 -16.5 12.5 5.6 6 19 A A H 34 S+ 0 0 80 -3,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.793 97.7 64.1 -61.8 -30.6 -18.1 16.0 5.3 7 20 A L H >X S- 0 0 66 -4,-1.1 4,-0.7 1,-0.1 3,-0.6 0.700 91.3-173.6 -69.7 -20.7 -15.2 17.2 3.0 8 21 A G H XX - 0 0 38 -3,-1.4 4,-1.6 -4,-0.5 3,-0.9 -0.044 47.1 -21.1 67.6-159.6 -16.4 14.6 0.4 9 22 A Q H 3> S+ 0 0 74 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.746 125.4 68.9 -63.4 -27.1 -14.8 13.7 -2.9 10 23 A D H <> S+ 0 0 136 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.897 106.4 41.3 -60.0 -39.2 -12.8 16.9 -3.2 11 24 A F H << S+ 0 0 11 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.928 113.4 52.1 -72.6 -45.8 -10.7 15.8 -0.3 12 25 A A H < S+ 0 0 5 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.928 115.8 43.9 -51.3 -46.9 -10.5 12.1 -1.5 13 26 A A H < S+ 0 0 29 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.848 136.7 8.3 -69.5 -40.0 -9.3 13.5 -4.9 14 27 A D < + 0 0 84 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.3 -0.651 67.9 158.6-146.1 77.3 -6.8 16.0 -3.6 15 28 A P >> + 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.667 53.4 91.9 -79.4 -15.0 -6.4 15.6 0.2 16 29 A Y H 3> S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.837 79.5 51.8 -52.7 -42.7 -3.0 17.4 0.2 17 30 A P H 3> S+ 0 0 51 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.847 110.0 53.2 -65.3 -31.4 -4.0 20.9 0.9 18 31 A T H <> S+ 0 0 22 -3,-0.8 4,-2.0 -4,-0.3 -2,-0.2 0.929 110.9 43.8 -62.2 -48.8 -6.0 19.7 3.9 19 32 A Y H X S+ 0 0 0 -4,-1.8 4,-3.4 1,-0.2 -1,-0.2 0.901 113.1 53.9 -63.5 -37.5 -3.0 17.8 5.5 20 33 A A H X S+ 0 0 32 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.842 108.5 46.8 -68.5 -35.8 -0.7 20.8 4.7 21 34 A R H X S+ 0 0 148 -4,-1.6 4,-0.9 2,-0.2 -1,-0.2 0.839 113.6 48.9 -76.5 -38.0 -2.9 23.3 6.5 22 35 A L H >X S+ 0 0 17 -4,-2.0 3,-1.4 1,-0.2 4,-1.3 0.960 109.2 54.7 -58.7 -50.2 -3.2 20.9 9.5 23 36 A R H 3< S+ 0 0 57 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.788 102.3 56.1 -55.3 -34.6 0.6 20.4 9.4 24 37 A A H 3< S+ 0 0 88 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.825 108.2 48.6 -66.4 -33.0 1.1 24.2 9.7 25 38 A E H << S- 0 0 149 -3,-1.4 -2,-0.2 -4,-0.9 -1,-0.2 0.688 128.9 -53.4 -83.4 -22.7 -1.0 24.2 12.9 26 39 A G < - 0 0 17 -4,-1.3 -1,-0.3 1,-0.1 17,-0.1 -0.899 53.4 -85.4 162.6 173.4 0.8 21.3 14.7 27 40 A P S S+ 0 0 15 0, 0.0 16,-2.0 0, 0.0 2,-0.3 0.663 101.7 41.4 -79.7 -14.8 2.0 17.6 14.3 28 41 A A E + B 0 42A 5 263,-0.2 2,-0.3 14,-0.2 14,-0.2 -0.991 59.4 178.5-141.5 143.2 -1.2 15.9 15.4 29 42 A H E - B 0 41A 25 12,-2.0 12,-2.5 -2,-0.3 2,-0.3 -0.987 26.9-127.6-150.1 135.0 -5.0 16.3 14.9 30 43 A R E + B 0 40A 97 -2,-0.3 -28,-1.5 10,-0.2 2,-0.3 -0.629 40.6 163.2 -80.9 134.4 -8.3 14.6 15.9 31 44 A V E -aB 2 39A 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.5 -0.936 35.7-124.4-142.6 159.3 -10.5 13.9 12.8 32 45 A R E -aB 3 38A 82 -30,-3.0 -28,-2.3 -2,-0.3 -27,-0.5 -0.946 27.2-134.3-106.1 140.6 -13.5 11.9 12.0 33 46 A T > - 0 0 9 4,-2.2 3,-1.8 -2,-0.5 -28,-0.3 -0.349 30.8-100.5 -83.2 166.5 -13.2 9.4 9.1 34 47 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 345,-0.1 0.952 124.9 56.0 -55.0 -45.7 -15.9 9.1 6.4 35 48 A E T 3 S- 0 0 87 1,-0.1 344,-0.0 2,-0.1 -3,-0.0 0.588 124.3-102.0 -58.2 -13.2 -17.2 6.0 8.3 36 49 A G S < S+ 0 0 39 -3,-1.8 2,-0.3 1,-0.3 -1,-0.1 0.393 74.3 133.6 107.4 1.0 -17.6 7.9 11.6 37 50 A D - 0 0 74 1,-0.0 -4,-2.2 -5,-0.0 2,-0.5 -0.648 51.1-130.5 -87.7 137.6 -14.5 6.9 13.7 38 51 A E E +B 32 0A 57 -2,-0.3 263,-0.4 -6,-0.2 2,-0.3 -0.682 41.2 155.5 -85.4 129.0 -12.4 9.5 15.6 39 52 A V E -B 31 0A 2 -8,-2.6 -8,-2.4 -2,-0.5 2,-0.4 -0.928 39.5-107.5-139.8 175.3 -8.7 9.1 15.0 40 53 A W E -Bc 30 302A 12 261,-3.0 263,-4.1 -2,-0.3 2,-0.5 -0.859 20.6-153.5-105.0 133.5 -5.5 11.0 15.1 41 54 A L E -Bc 29 303A 0 -12,-2.5 -12,-2.0 -2,-0.4 2,-0.5 -0.924 4.7-159.2 -97.0 139.8 -3.6 12.2 12.0 42 55 A V E -Bc 28 304A 0 261,-2.4 263,-3.0 -2,-0.5 2,-0.3 -0.974 20.1-178.1-114.6 123.5 0.1 12.7 12.4 43 56 A V + 0 0 2 -16,-2.0 4,-0.2 -2,-0.5 263,-0.1 -0.821 33.5 63.0-123.0 165.7 1.5 15.0 9.7 44 57 A G S > S- 0 0 8 261,-0.3 4,-2.6 -2,-0.3 265,-0.3 0.505 75.5-106.0 84.2 130.3 4.9 16.4 8.6 45 58 A Y H > S+ 0 0 2 264,-0.3 4,-2.7 263,-0.3 5,-0.2 0.823 113.9 47.5 -57.4 -47.3 7.8 14.3 7.5 46 59 A D H > S+ 0 0 122 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.946 118.0 41.8 -63.2 -47.9 10.0 14.4 10.5 47 60 A R H > S+ 0 0 85 2,-0.2 4,-2.9 -4,-0.2 5,-0.2 0.853 115.3 52.1 -63.5 -40.6 7.2 13.7 13.0 48 61 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.970 111.3 45.7 -62.4 -55.1 5.8 11.0 10.7 49 62 A R H X S+ 0 0 93 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.919 115.3 47.7 -50.9 -55.7 9.1 9.2 10.3 50 63 A A H >X S+ 0 0 55 -4,-2.4 4,-1.2 -5,-0.2 3,-0.6 0.946 113.2 47.8 -46.5 -61.5 9.7 9.4 14.2 51 64 A V H >< S+ 0 0 2 -4,-2.9 3,-0.7 1,-0.2 6,-0.2 0.929 106.1 58.1 -52.6 -45.5 6.2 8.1 15.0 52 65 A L H 3< S+ 0 0 10 -4,-2.5 287,-0.2 1,-0.3 -1,-0.2 0.842 116.9 33.6 -51.8 -44.5 6.5 5.2 12.5 53 66 A A H << S+ 0 0 49 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.578 92.4 112.6 -89.7 -10.2 9.6 3.8 14.3 54 67 A D X< - 0 0 33 -4,-1.2 3,-2.8 -3,-0.7 -4,-0.0 -0.496 57.0-151.9 -73.6 110.3 8.6 4.9 17.9 55 68 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 231,-0.1 0.625 91.0 75.4 -56.8 -11.3 7.9 1.9 20.2 56 69 A R T 3 S+ 0 0 115 1,-0.2 230,-2.5 229,-0.1 2,-0.8 0.684 87.9 68.3 -68.9 -17.8 5.4 4.1 22.3 57 70 A F E < S-E 285 0B 9 -3,-2.8 -1,-0.2 228,-0.2 2,-0.1 -0.909 80.7-165.3-109.6 102.9 3.1 3.6 19.3 58 71 A S E -E 284 0B 2 226,-2.7 226,-2.6 -2,-0.8 25,-0.1 -0.426 24.9-154.9 -85.6 154.6 2.1 -0.1 19.3 59 72 A K + 0 0 4 224,-0.2 2,-0.4 -2,-0.1 24,-0.1 0.407 63.7 107.0-103.2 -1.3 0.4 -2.1 16.6 60 73 A D > - 0 0 10 224,-0.2 3,-2.1 1,-0.1 22,-0.2 -0.631 68.4-139.5 -88.4 125.4 -1.2 -4.7 18.9 61 74 A W G > S+ 0 0 33 20,-0.5 3,-1.4 -2,-0.4 5,-0.1 0.633 97.6 74.3 -63.1 -17.2 -4.9 -4.3 19.3 62 75 A R G 3 S+ 0 0 189 1,-0.2 -1,-0.3 5,-0.1 -2,-0.0 0.794 94.2 56.2 -61.4 -26.9 -4.7 -5.1 23.1 63 76 A N G < S+ 0 0 61 -3,-2.1 2,-0.3 221,-0.1 -1,-0.2 0.421 94.6 87.5 -82.7 0.9 -3.2 -1.6 23.3 64 77 A S < - 0 0 15 -3,-1.4 236,-0.2 2,-0.1 235,-0.1 -0.780 67.4-148.9-102.0 144.8 -6.4 -0.1 21.6 65 78 A T S S+ 0 0 102 234,-2.4 235,-0.1 -2,-0.3 -1,-0.1 0.346 79.9 87.7 -86.5 3.5 -9.5 1.0 23.4 66 79 A T S S- 0 0 71 233,-0.3 2,-0.1 -5,-0.1 -2,-0.1 -0.917 82.1-130.5 -99.5 124.5 -11.6 0.1 20.4 67 80 A P - 0 0 111 0, 0.0 -2,-0.1 0, 0.0 -5,-0.1 -0.501 17.9-116.3 -74.6 143.7 -12.6 -3.5 20.6 68 81 A L - 0 0 43 -2,-0.1 2,-0.1 1,-0.1 3,-0.0 -0.350 29.8-119.6 -53.6 150.4 -12.1 -5.8 17.6 69 82 A T > - 0 0 47 1,-0.1 4,-2.0 -2,-0.0 5,-0.2 -0.397 33.3 -98.5 -78.0 173.2 -15.2 -7.3 16.0 70 83 A E H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.955 124.5 46.9 -56.5 -49.2 -15.6 -11.1 15.9 71 84 A A H 4 S+ 0 0 17 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.901 113.0 49.5 -68.1 -37.7 -14.5 -11.3 12.3 72 85 A E H >> S+ 0 0 52 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.861 103.8 57.7 -67.5 -37.0 -11.5 -9.0 12.9 73 86 A A H 3< S+ 0 0 42 -4,-2.0 3,-0.3 1,-0.3 4,-0.3 0.869 98.8 60.8 -69.1 -29.5 -10.3 -10.8 16.0 74 87 A A T 3< S+ 0 0 40 -4,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.806 113.8 38.7 -55.6 -25.8 -10.0 -14.0 13.8 75 88 A L T <4 S+ 0 0 7 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.2 0.590 88.5 87.1-112.1 -10.4 -7.5 -12.0 11.7 76 89 A N < + 0 0 15 -4,-1.1 2,-1.4 -3,-0.3 -15,-0.2 0.488 58.5 93.9 -74.8 -5.1 -5.3 -9.9 14.0 77 90 A H + 0 0 40 141,-0.3 2,-0.3 -4,-0.3 146,-0.3 -0.251 64.3 113.9 -84.2 55.4 -2.5 -12.4 14.9 78 91 A N S > S- 0 0 1 -2,-1.4 3,-1.1 144,-0.2 145,-0.1 -0.821 80.4-107.0-119.4 163.7 -0.3 -11.2 12.0 79 92 A M G > S+ 0 0 11 -2,-0.3 3,-1.1 1,-0.3 12,-0.1 0.816 115.0 56.0 -62.1 -29.5 3.0 -9.4 12.1 80 93 A L G 3 S+ 0 0 49 1,-0.3 -1,-0.3 7,-0.0 -3,-0.1 0.773 112.0 44.2 -81.3 -21.1 1.7 -6.0 11.1 81 94 A E G < S+ 0 0 50 -3,-1.1 -20,-0.5 -5,-0.1 -1,-0.3 -0.214 107.3 76.4-111.2 44.9 -0.8 -6.0 14.0 82 95 A S < - 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