==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 29-AUG-11 3TL1 . COMPND 2 MOLECULE: POLYKETIDE CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR M.-Y.LEE,B.D.AMES,W.ZHANG,Y.TANG,S.-C.TSAI . 316 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 16 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 2 4 2 0 0 0 2 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 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 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 1 A M 0 0 102 0, 0.0 293,-0.4 0, 0.0 294,-0.1 0.000 360.0 360.0 360.0 142.8 -5.2 -5.0 -14.8 2 2 A A + 0 0 29 291,-0.3 110,-0.2 292,-0.2 292,-0.1 0.982 360.0 6.3-114.2-166.8 -6.4 -5.5 -17.5 3 3 A G S S+ 0 0 0 1,-0.2 109,-2.1 108,-0.1 2,-0.4 0.915 96.0 119.7 44.5 48.8 -9.8 -5.9 -19.1 4 4 A H E +A 111 0A 61 107,-0.2 2,-0.4 118,-0.1 107,-0.2 -0.977 39.4 179.9-145.3 126.2 -11.3 -4.7 -15.8 5 5 A T E +A 110 0A 2 105,-2.2 105,-2.0 -2,-0.4 2,-0.3 -0.966 0.7 179.6-122.3 144.1 -13.4 -1.7 -15.0 6 6 A D E +A 109 0A 61 -2,-0.4 2,-0.3 103,-0.2 103,-0.2 -0.869 13.2 163.6-147.0 109.3 -14.8 -0.9 -11.5 7 7 A N E -A 108 0A 12 101,-2.6 101,-3.5 -2,-0.3 2,-0.3 -0.960 9.2-178.4-131.7 145.5 -16.9 2.3 -11.1 8 8 A E E -A 107 0A 109 -2,-0.3 2,-0.3 99,-0.3 99,-0.2 -0.987 7.2-173.5-143.4 155.1 -19.3 3.5 -8.4 9 9 A I E -A 106 0A 19 97,-2.1 97,-2.7 -2,-0.3 2,-0.5 -0.981 20.7-134.4-143.1 149.0 -21.6 6.4 -7.6 10 10 A T E -A 105 0A 52 -2,-0.3 2,-0.5 95,-0.2 95,-0.2 -0.925 20.0-163.4-105.1 132.3 -23.6 7.4 -4.5 11 11 A I E -A 104 0A 0 93,-2.8 93,-3.0 -2,-0.5 2,-2.1 -0.970 20.2-134.1-119.4 125.3 -27.1 8.5 -5.2 12 12 A A S S+ 0 0 53 -2,-0.5 91,-0.2 91,-0.2 93,-0.0 -0.462 75.3 90.6 -84.3 69.0 -29.0 10.4 -2.5 13 13 A A S S- 0 0 8 -2,-2.1 91,-0.4 91,-0.1 -2,-0.2 -0.961 84.5 -83.6-153.3 157.1 -32.2 8.4 -2.9 14 14 A P > - 0 0 65 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.326 38.9-111.1 -72.7 156.5 -33.5 5.3 -1.2 15 15 A M H > S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.866 113.5 56.5 -46.9 -48.5 -32.5 1.8 -2.4 16 16 A E H > S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.943 111.1 42.5 -56.2 -52.4 -36.0 0.9 -3.7 17 17 A L H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.902 116.5 47.6 -58.3 -44.7 -36.2 3.9 -6.0 18 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.942 115.1 46.0 -67.0 -47.9 -32.5 3.5 -7.2 19 19 A W H X S+ 0 0 16 -4,-3.2 4,-1.5 -5,-0.2 -2,-0.2 0.939 115.3 46.2 -56.6 -51.4 -33.0 -0.2 -7.8 20 20 A N H < S+ 0 0 85 -4,-2.9 4,-0.4 -5,-0.3 -2,-0.2 0.931 115.5 44.2 -60.9 -48.2 -36.4 0.2 -9.6 21 21 A M H >< S+ 0 0 55 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.918 115.3 47.0 -66.9 -41.8 -35.3 3.0 -11.9 22 22 A T H 3< S+ 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.716 115.0 46.7 -74.6 -22.5 -31.9 1.5 -12.9 23 23 A N T 3< S+ 0 0 24 -4,-1.5 2,-1.6 -5,-0.2 -1,-0.2 0.347 81.7 100.3-100.3 7.0 -33.4 -1.9 -13.6 24 24 A D X + 0 0 65 -3,-1.0 3,-1.7 -4,-0.4 4,-0.3 -0.606 51.9 175.9 -88.7 78.2 -36.3 -0.5 -15.7 25 25 A I G > + 0 0 7 -2,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.794 68.5 61.2 -66.5 -33.9 -34.6 -1.4 -18.9 26 26 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.3 -3,-0.2 12,-0.1 0.754 108.3 48.3 -61.8 -22.1 -37.3 -0.4 -21.3 27 27 A K G X> S+ 0 0 146 -3,-1.7 3,-1.6 1,-0.2 4,-0.9 0.428 81.4 101.6 -96.6 3.5 -37.0 3.1 -19.9 28 28 A W H X> S+ 0 0 7 -3,-1.7 4,-2.9 -4,-0.3 3,-0.9 0.854 72.5 62.6 -50.8 -42.3 -33.2 3.1 -20.2 29 29 A P H 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.789 108.4 43.7 -58.2 -25.3 -33.3 5.2 -23.4 30 30 A G H <4 S+ 0 0 50 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.638 122.3 37.2 -88.9 -17.4 -34.9 8.0 -21.2 31 31 A L H << S+ 0 0 12 -3,-0.9 2,-0.2 -4,-0.9 -3,-0.2 0.818 114.5 50.5-101.1 -50.3 -32.5 7.5 -18.3 32 32 A F < - 0 0 4 -4,-2.9 104,-0.0 -5,-0.2 105,-0.0 -0.515 63.7-157.7 -77.0 160.8 -29.1 6.8 -19.9 33 33 A S S S+ 0 0 57 -2,-0.2 -1,-0.1 -3,-0.0 22,-0.1 0.404 79.3 74.8-112.8 -2.4 -27.9 9.1 -22.7 34 34 A E S S+ 0 0 23 98,-0.1 21,-2.0 20,-0.1 2,-0.5 0.618 79.1 80.1 -88.0 -11.4 -25.5 6.6 -24.4 35 35 A Y E -B 54 0A 30 19,-0.2 19,-0.3 -7,-0.2 3,-0.1 -0.848 51.3-165.4-106.4 129.4 -28.1 4.3 -26.1 36 36 A A E S- 0 0 56 17,-2.0 2,-0.3 -2,-0.5 18,-0.2 0.842 83.9 -9.3 -64.9 -37.9 -29.8 4.9 -29.4 37 37 A S E -B 53 0A 43 16,-1.6 16,-2.2 -3,-0.1 2,-0.4 -0.995 51.1-156.7-162.0 158.0 -32.1 2.1 -28.5 38 38 A V E -B 52 0A 21 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.987 17.0-174.4-137.1 122.2 -32.9 -0.8 -26.0 39 39 A E E -B 51 0A 96 12,-2.2 12,-2.9 -2,-0.4 2,-0.6 -0.981 20.6-140.9-122.4 128.3 -35.1 -3.7 -27.1 40 40 A V E +B 50 0A 49 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.761 21.6 179.0 -83.8 121.3 -36.2 -6.4 -24.8 41 41 A L E - 0 0 95 8,-2.5 2,-0.3 -2,-0.6 9,-0.2 0.681 58.6 -18.2 -97.8 -23.5 -36.1 -9.6 -26.9 42 42 A G E -B 49 0A 28 7,-1.8 7,-2.2 2,-0.0 -1,-0.3 -0.978 44.4-151.6-172.0 161.6 -37.2 -12.1 -24.3 43 43 A R E -B 48 0A 143 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.910 7.2-175.1-141.8 118.3 -37.7 -13.0 -20.7 44 44 A D - 0 0 84 3,-2.2 5,-0.0 -2,-0.3 -2,-0.0 -0.024 64.6 -69.7 -78.2-155.3 -37.6 -16.5 -19.3 45 45 A D S S+ 0 0 154 1,-0.1 3,-0.0 -2,-0.1 0, 0.0 0.990 124.2 0.8 -59.6 -56.6 -38.6 -16.4 -15.6 46 46 A D S S+ 0 0 96 1,-0.0 25,-0.6 24,-0.0 2,-0.5 0.671 116.2 79.1-108.2 -25.5 -35.5 -14.6 -14.2 47 47 A K E - C 0 70A 82 23,-0.2 -3,-2.2 21,-0.0 2,-0.5 -0.809 58.1-159.6-104.9 125.5 -33.3 -13.8 -17.2 48 48 A V E -BC 43 69A 22 21,-2.9 21,-2.3 -2,-0.5 2,-0.4 -0.906 2.8-158.5-108.3 127.1 -34.0 -10.9 -19.5 49 49 A T E +BC 42 68A 37 -7,-2.2 -8,-2.5 -2,-0.5 -7,-1.8 -0.876 24.4 160.9-105.9 132.8 -32.5 -10.9 -23.1 50 50 A F E -BC 40 67A 6 17,-2.3 17,-2.6 -2,-0.4 2,-0.5 -0.990 35.2-124.6-154.2 152.4 -32.2 -7.5 -24.7 51 51 A R E -BC 39 66A 87 -12,-2.9 -12,-2.2 -2,-0.3 2,-0.4 -0.885 21.1-163.3-105.3 129.1 -30.4 -5.6 -27.5 52 52 A L E -BC 38 65A 7 13,-2.8 13,-2.2 -2,-0.5 2,-0.4 -0.938 4.2-171.5-107.5 141.1 -28.5 -2.5 -26.9 53 53 A T E -BC 37 64A 23 -16,-2.2 -17,-2.0 -2,-0.4 -16,-1.6 -0.990 12.9-150.9-130.6 120.2 -27.5 -0.1 -29.6 54 54 A M E -B 35 0A 34 9,-2.9 -19,-0.2 -2,-0.4 3,-0.1 -0.460 24.9-101.9 -83.1 158.9 -25.1 2.8 -28.7 55 55 A H - 0 0 93 -21,-2.0 8,-0.3 1,-0.2 -1,-0.1 -0.411 67.1 -66.6 -65.5 157.9 -24.9 6.2 -30.3 56 56 A P - 0 0 80 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.170 56.3-131.8 -54.0 138.4 -21.9 6.4 -32.8 57 57 A D > - 0 0 34 4,-3.0 3,-1.7 -3,-0.1 5,-0.0 0.032 40.6 -75.4 -78.5-165.7 -18.5 6.2 -31.2 58 58 A A T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.705 136.1 47.8 -70.6 -19.6 -15.5 8.5 -31.8 59 59 A D T 3 S- 0 0 128 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.375 122.2-106.1 -97.6 -0.6 -14.9 6.8 -35.2 60 60 A G S < S+ 0 0 54 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.511 74.1 143.1 86.2 9.2 -18.6 7.0 -36.2 61 61 A K - 0 0 94 -6,-0.1 -4,-3.0 -5,-0.1 2,-0.6 -0.608 45.1-140.7 -83.6 137.7 -19.1 3.3 -35.6 62 62 A V - 0 0 77 -2,-0.3 2,-0.5 -6,-0.2 -7,-0.1 -0.888 12.8-156.0 -98.2 120.5 -22.4 2.0 -34.1 63 63 A W + 0 0 23 -2,-0.6 -9,-2.9 -8,-0.3 2,-0.4 -0.837 19.2 169.8 -94.7 130.6 -22.0 -0.8 -31.5 64 64 A S E +C 53 0A 44 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.998 5.2 152.8-142.0 136.9 -25.0 -3.1 -31.1 65 65 A W E -C 52 0A 44 -13,-2.2 -13,-2.8 -2,-0.4 2,-0.4 -0.980 38.7-112.2-156.8 167.8 -25.2 -6.4 -29.2 66 66 A V E +C 51 0A 26 -2,-0.3 17,-2.2 -15,-0.2 18,-0.7 -0.878 34.1 178.1-110.0 135.0 -27.5 -8.8 -27.3 67 67 A S E -CD 50 82A 5 -17,-2.6 -17,-2.3 -2,-0.4 2,-0.4 -0.885 19.2-144.5-129.8 160.7 -27.0 -9.4 -23.6 68 68 A E E -CD 49 81A 37 13,-2.5 13,-2.1 -2,-0.3 2,-0.3 -0.994 21.0-177.0-126.2 139.7 -28.7 -11.4 -21.0 69 69 A R E -CD 48 80A 14 -21,-2.3 -21,-2.9 -2,-0.4 2,-0.5 -0.977 19.8-157.7-138.2 148.5 -29.1 -10.2 -17.4 70 70 A V E -CD 47 79A 49 9,-2.5 9,-2.0 -2,-0.3 2,-0.5 -0.988 13.5-165.3-120.5 117.8 -30.5 -11.6 -14.1 71 71 A A E - D 0 78A 25 -25,-0.6 7,-0.2 -2,-0.5 -2,-0.0 -0.912 1.4-167.3-105.0 128.9 -31.4 -8.9 -11.6 72 72 A D E >> - D 0 77A 53 5,-3.0 5,-1.5 -2,-0.5 4,-1.1 -0.926 7.8-168.5-119.4 107.3 -31.9 -10.2 -8.1 73 73 A P T 45S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.701 81.5 64.8 -74.3 -11.4 -33.6 -7.7 -5.8 74 74 A V T 45S+ 0 0 132 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.927 117.1 25.4 -76.1 -43.2 -32.9 -9.8 -2.6 75 75 A T T 45S- 0 0 87 -3,-0.3 22,-0.3 2,-0.2 -1,-0.2 0.495 104.1-128.8 -93.2 -4.9 -29.2 -9.5 -2.8 76 76 A R T <5 + 0 0 70 -4,-1.1 21,-1.7 1,-0.2 2,-0.3 0.931 65.9 128.0 52.6 48.9 -29.4 -6.2 -4.8 77 77 A T E < -DE 72 96A 37 -5,-1.5 -5,-3.0 19,-0.2 2,-0.4 -0.960 42.6-163.4-130.1 152.3 -27.0 -7.6 -7.5 78 78 A V E -DE 71 95A 3 17,-2.5 17,-2.2 -2,-0.3 2,-0.4 -0.995 3.9-166.2-130.8 136.1 -27.3 -7.9 -11.3 79 79 A R E +DE 70 94A 107 -9,-2.0 -9,-2.5 -2,-0.4 2,-0.3 -0.994 12.5 175.0-122.7 137.0 -25.2 -10.1 -13.5 80 80 A A E -DE 69 93A 13 13,-3.0 13,-2.6 -2,-0.4 2,-0.3 -0.940 7.3-179.6-136.0 154.1 -25.1 -9.8 -17.2 81 81 A Q E -DE 68 92A 93 -13,-2.1 -13,-2.5 -2,-0.3 2,-0.4 -0.980 36.3 -98.1-148.2 160.5 -23.1 -11.3 -20.1 82 82 A R E -D 67 0A 25 9,-1.1 -15,-0.3 -2,-0.3 9,-0.2 -0.679 22.2-150.9 -81.0 131.5 -22.9 -10.9 -23.8 83 83 A V S S+ 0 0 73 -17,-2.2 2,-0.5 -2,-0.4 -16,-0.1 0.878 93.2 31.7 -71.9 -43.2 -25.0 -13.6 -25.7 84 84 A E S S- 0 0 141 -18,-0.7 -1,-0.3 1,-0.1 -18,-0.2 -0.988 76.3-155.1-112.6 125.3 -22.6 -13.5 -28.7 85 85 A T > + 0 0 52 -2,-0.5 3,-2.7 1,-0.2 5,-0.1 0.807 31.4 163.5 -69.0 -31.9 -19.1 -12.7 -27.6 86 86 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.2 3,-0.1 29,-0.1 -0.275 73.7 4.5 55.4-119.3 -18.2 -11.2 -31.0 87 87 A P T 3 S+ 0 0 30 0, 0.0 28,-2.7 0, 0.0 2,-0.3 0.613 125.4 80.2 -70.2 -10.5 -15.0 -9.2 -30.8 88 88 A F E < S- F 0 114A 7 -3,-2.7 26,-0.3 26,-0.3 3,-0.2 -0.708 71.5-145.5 -97.3 148.9 -14.7 -10.2 -27.1 89 89 A Q E S- 0 0 27 24,-3.3 2,-0.3 1,-0.4 25,-0.1 0.888 90.3 -35.3 -64.0 -42.8 -13.4 -13.5 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-0.762 38.4 169.4 -92.0 139.2 -27.2 1.5 1.6 100 100 A T E > - F 0 103A 62 3,-2.7 3,-1.3 -2,-0.4 -2,-0.0 -0.855 52.0 -93.3-137.3 175.7 -24.8 4.1 3.1 101 101 A A T 3 S+ 0 0 105 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.772 125.4 48.8 -62.2 -28.4 -25.2 7.2 5.2 102 102 A E T 3 S- 0 0 134 1,-0.2 2,-0.3 -90,-0.0 -1,-0.3 0.417 124.2 -86.7 -93.3 -1.8 -25.2 9.3 2.0 103 103 A G E < S- F 0 100A 17 -3,-1.3 -3,-2.7 -91,-0.2 2,-0.5 -0.976 75.4 -17.5 132.0-145.3 -27.7 7.3 0.1 104 104 A T E -AF 11 99A 0 -93,-3.0 -93,-2.8 -91,-0.4 2,-0.5 -0.864 53.9-149.2-105.6 125.3 -27.5 4.2 -2.2 105 105 A V E -AF 10 98A 22 -7,-2.8 -7,-2.1 -2,-0.5 2,-0.4 -0.814 11.6-167.5 -87.0 134.7 -24.1 3.2 -3.6 106 106 A M E -AF 9 97A 0 -97,-2.7 -97,-2.1 -2,-0.5 2,-0.4 -0.995 3.3-167.6-121.3 130.6 -24.3 1.5 -7.0 107 107 A R E -AF 8 96A 94 -11,-2.9 -11,-2.4 -2,-0.4 2,-0.5 -0.957 4.6-162.5-121.8 135.9 -21.1 -0.2 -8.3 108 108 A W E -AF 7 95A 7 -101,-3.5 -101,-2.6 -2,-0.4 2,-0.4 -0.978 10.0-179.1-121.3 124.3 -20.6 -1.4 -11.8 109 109 A T E -AF 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