==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-NOV-12 4I4J . COMPND 2 MOLECULE: ACP-POLYENE THIOESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GLOBISPORUS; . AUTHOR Y.KIM,L.BIGELOW,J.BEARDEN,J.BABNIGG,C.A.BINGMAN,R.YENNAMALLI . 1119 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 918 82.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 408 36.5 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 . 17 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 149 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 0 1 7 4 0 4 0 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 9 9 1 1 4 8 2 0 6 6 9 0 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 0 0 0 0 0 2 0 2 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 6 A P 0 0 119 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.1 34.9 13.5 53.5 2 7 A D + 0 0 105 137,-0.1 2,-0.2 138,-0.1 75,-0.0 0.592 360.0 53.6 -79.1 -12.3 32.0 11.1 53.8 3 8 A Y S S- 0 0 39 76,-0.1 2,-0.5 137,-0.1 76,-0.2 -0.736 80.0-116.4-125.0 163.6 30.4 12.6 50.7 4 9 A F E -A 78 0A 8 74,-2.3 74,-2.8 -2,-0.2 2,-0.4 -0.897 42.6-137.7 -96.8 133.7 31.0 13.5 47.0 5 10 A E E -A 77 0A 77 -2,-0.5 2,-0.4 72,-0.2 72,-0.2 -0.776 25.7-179.5-106.9 134.0 30.7 17.2 46.6 6 11 A L E -A 76 0A 17 70,-1.4 70,-2.2 -2,-0.4 2,-0.3 -0.914 18.2-153.3-125.8 104.6 29.1 19.3 43.9 7 12 A R E +A 75 0A 146 -2,-0.4 2,-0.3 68,-0.2 68,-0.2 -0.588 21.7 171.9 -76.0 134.4 29.4 23.1 44.5 8 13 A H E -A 74 0A 26 66,-2.2 66,-1.8 -2,-0.3 2,-0.5 -0.919 27.0-149.9-151.6 119.5 26.6 25.1 42.9 9 14 A T E -A 73 0A 32 -2,-0.3 2,-0.2 64,-0.2 64,-0.2 -0.781 39.8-108.2 -85.8 126.8 25.7 28.8 43.1 10 15 A V - 0 0 0 62,-2.1 61,-2.8 -2,-0.5 62,-0.1 -0.367 38.0-124.9 -60.5 120.1 22.0 29.3 42.7 11 16 A G > - 0 0 12 -2,-0.2 3,-1.1 59,-0.2 61,-0.1 -0.267 6.5-127.3 -67.7 150.9 21.3 30.8 39.4 12 17 A F G > S+ 0 0 15 1,-0.3 3,-0.6 2,-0.1 287,-0.6 0.817 114.3 47.2 -64.1 -31.8 19.3 34.0 38.9 13 18 A E G 3 S+ 0 0 56 1,-0.2 -1,-0.3 285,-0.1 291,-0.1 0.338 95.3 76.3 -93.7 5.9 17.1 32.2 36.4 14 19 A E G < S+ 0 0 22 -3,-1.1 8,-0.9 2,-0.0 2,-0.3 0.195 82.1 87.0 -99.2 14.8 16.6 29.2 38.7 15 20 A T B < -L 21 0B 4 -3,-0.6 6,-0.3 6,-0.2 5,-0.1 -0.751 68.6-132.7-111.9 160.1 14.2 31.0 40.9 16 21 A N > - 0 0 10 4,-4.1 3,-1.3 -2,-0.3 279,-0.2 -0.166 43.7 -77.8 -95.1-165.8 10.4 31.4 40.8 17 22 A L T 3 S+ 0 0 43 277,-1.1 281,-0.1 1,-0.3 278,-0.1 0.906 129.7 48.5 -62.1 -43.8 8.1 34.5 41.1 18 23 A V T 3 S- 0 0 32 276,-0.1 -1,-0.3 1,-0.1 281,-0.1 0.137 122.7-101.8 -88.6 21.4 8.4 34.6 44.9 19 24 A G S < S+ 0 0 12 -3,-1.3 51,-0.3 1,-0.3 280,-0.1 0.341 84.1 124.6 81.9 -7.7 12.2 34.2 44.9 20 25 A N - 0 0 11 49,-0.1 -4,-4.1 -5,-0.1 2,-0.4 -0.366 65.7-101.1 -83.0 164.8 12.1 30.5 45.7 21 26 A V B -L 15 0B 8 47,-0.5 -6,-0.2 -6,-0.3 2,-0.1 -0.713 33.8-110.3 -91.2 133.9 13.8 27.8 43.7 22 27 A Y >> - 0 0 26 -8,-0.9 3,-1.2 -2,-0.4 4,-0.7 -0.418 25.0-132.3 -56.8 128.5 11.7 25.5 41.4 23 28 A Y H 3> S+ 0 0 9 1,-0.3 4,-0.8 2,-0.2 3,-0.3 0.720 104.1 64.5 -61.5 -22.0 11.7 22.1 43.0 24 29 A V H >> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.7 0.868 91.7 63.5 -67.8 -36.7 12.6 20.5 39.7 25 30 A N H <> S+ 0 0 9 -3,-1.2 4,-1.9 1,-0.3 -1,-0.2 0.825 95.2 59.5 -57.5 -35.3 16.0 22.3 39.8 26 31 A Y H 3X S+ 0 0 4 -4,-0.7 4,-0.9 -3,-0.3 -1,-0.3 0.885 107.0 46.6 -58.7 -40.5 16.9 20.4 42.9 27 32 A L H S+ 0 0 1 -4,-1.4 4,-2.3 1,-0.2 5,-0.9 0.891 106.7 50.3 -64.4 -40.8 30.8 11.4 40.0 38 43 A L H <5S+ 0 0 14 -4,-1.1 8,-0.4 1,-0.2 -1,-0.2 0.680 108.7 53.4 -73.0 -18.1 31.0 9.0 37.1 39 44 A K H <5S+ 0 0 85 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.744 121.6 27.4 -87.0 -24.8 33.3 11.4 35.2 40 45 A E H <5S+ 0 0 108 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.609 133.9 26.8-112.8 -18.2 35.9 11.6 38.0 41 46 A R T <5S+ 0 0 109 -4,-2.3 -3,-0.2 -5,-0.2 3,-0.1 0.736 131.6 19.3-116.6 -39.2 35.5 8.3 39.9 42 47 A A >>< + 0 0 1 -5,-0.9 4,-1.0 1,-0.1 3,-0.9 -0.531 56.2 155.5-137.5 71.5 34.2 5.7 37.5 43 48 A P H 3> S+ 0 0 79 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.703 74.0 71.7 -67.0 -18.5 34.8 6.7 33.8 44 49 A S H 3> S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.863 95.7 50.6 -63.2 -38.3 34.6 3.0 33.0 45 50 A V H X> S+ 0 0 0 -3,-0.9 4,-1.9 1,-0.2 3,-0.5 0.948 102.1 61.4 -62.7 -49.7 30.9 3.1 33.7 46 51 A L H 3X S+ 0 0 27 -4,-1.0 4,-0.7 -8,-0.4 -1,-0.2 0.826 105.4 46.1 -46.1 -44.5 30.3 6.0 31.4 47 52 A A H 3< S+ 0 0 42 -4,-1.3 3,-0.4 1,-0.2 -1,-0.3 0.855 109.8 54.8 -71.1 -35.7 31.6 4.1 28.4 48 53 A E H XX>S+ 0 0 49 -4,-1.2 5,-2.0 -3,-0.5 3,-1.4 0.809 99.8 59.7 -67.7 -32.5 29.5 1.1 29.2 49 54 A V H 3<5S+ 0 0 19 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.804 99.3 58.4 -66.8 -27.1 26.2 3.1 29.4 50 55 A Q T 3<5S+ 0 0 93 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.537 114.7 40.6 -75.8 -6.1 26.8 4.0 25.7 51 56 A E T <45S- 0 0 131 -3,-1.4 -2,-0.1 2,-0.2 -3,-0.1 0.644 131.2 -46.5-106.1-101.6 26.8 0.3 25.0 52 57 A D T <5S+ 0 0 61 -4,-0.5 66,-0.8 67,-0.1 2,-0.5 0.311 98.5 107.5-125.9 4.4 24.4 -2.2 26.6 53 58 A L E < -B 117 0A 0 -5,-2.0 2,-0.5 64,-0.2 64,-0.2 -0.759 48.0-171.1 -85.8 127.0 24.6 -1.1 30.3 54 59 A K E -B 116 0A 25 62,-1.4 62,-1.9 -2,-0.5 2,-1.4 -0.957 17.3-154.1-127.2 116.1 21.4 0.7 31.4 55 60 A L E -B 115 0A 40 -2,-0.5 60,-0.2 60,-0.2 2,-0.2 -0.648 22.0-158.3 -88.9 84.0 21.1 2.4 34.8 56 61 A F E -B 114 0A 18 58,-1.5 58,-3.4 -2,-1.4 2,-0.8 -0.406 10.1-137.1 -65.4 130.0 17.4 2.3 35.3 57 62 A T E +B 113 0A 25 56,-0.2 56,-0.2 1,-0.2 3,-0.1 -0.816 25.4 175.6 -90.4 109.8 16.0 4.8 37.8 58 63 A L E - 0 0 52 54,-2.1 147,-2.8 -2,-0.8 2,-0.3 0.927 64.5 -2.8 -78.7 -48.8 13.5 3.1 40.0 59 64 A K E -BC 112 204A 79 53,-1.2 53,-3.7 145,-0.2 2,-0.3 -0.997 54.9-179.5-150.9 140.4 12.7 5.9 42.4 60 65 A V E +BC 111 203A 1 143,-1.7 143,-1.6 -2,-0.3 2,-0.3 -0.998 15.6 159.8-138.6 138.0 13.7 9.5 43.1 61 66 A D E -BC 110 202A 19 49,-1.9 49,-0.7 -2,-0.3 2,-0.3 -0.936 16.8-163.5-148.9 173.5 12.5 11.9 45.8 62 67 A C E -BC 109 201A 0 139,-2.1 139,-2.0 -2,-0.3 2,-0.4 -0.932 8.2-153.0-163.7 135.6 13.3 15.0 47.8 63 68 A E E -BC 108 200A 83 45,-3.2 45,-2.1 -2,-0.3 2,-0.6 -0.937 16.8-143.1-112.9 138.0 12.1 16.8 50.9 64 69 A F E +B 107 0A 24 135,-2.6 43,-0.2 -2,-0.4 3,-0.1 -0.883 24.6 168.0-109.1 119.9 12.4 20.5 51.3 65 70 A F + 0 0 102 41,-2.9 2,-0.3 -2,-0.6 42,-0.2 0.818 66.7 17.8 -97.4 -38.3 13.3 22.0 54.7 66 71 A A S S- 0 0 39 40,-2.1 2,-0.4 38,-0.0 -1,-0.3 -0.985 74.5-114.2-140.7 148.5 14.1 25.6 54.0 67 72 A E - 0 0 74 -2,-0.3 2,-0.3 -3,-0.1 -47,-0.0 -0.678 33.5-168.3 -84.5 128.9 13.5 28.1 51.1 68 73 A I - 0 0 3 -2,-0.4 -47,-0.5 -47,-0.1 2,-0.2 -0.740 0.8-161.6-113.1 164.2 16.6 29.3 49.3 69 74 A T > - 0 0 52 -2,-0.3 3,-1.2 1,-0.2 -59,-0.2 -0.662 35.7 -48.5-133.4-172.7 17.1 32.1 46.7 70 75 A A T 3 S+ 0 0 4 -51,-0.3 -59,-0.2 1,-0.2 -1,-0.2 -0.175 114.9 16.2 -62.6 151.1 19.4 33.4 44.0 71 76 A F T 3 S+ 0 0 42 -61,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.538 85.4 143.1 63.9 9.6 23.2 33.6 44.5 72 77 A D < - 0 0 27 -3,-1.2 -62,-2.1 -61,-0.1 2,-0.4 -0.676 53.2-123.6 -79.1 129.8 23.0 31.4 47.6 73 78 A E E -A 9 0A 55 24,-0.4 24,-3.0 -2,-0.4 2,-0.4 -0.624 33.0-169.8 -79.5 125.7 26.1 29.1 47.8 74 79 A L E -AD 8 96A 0 -66,-1.8 -66,-2.2 -2,-0.4 2,-0.5 -0.898 21.0-158.7-120.3 145.3 25.1 25.4 47.9 75 80 A S E -AD 7 95A 0 20,-2.6 20,-1.3 -2,-0.4 2,-0.9 -0.868 12.4-161.8-121.7 95.9 27.0 22.2 48.6 76 81 A I E -AD 6 94A 0 -70,-2.2 -70,-1.4 -2,-0.5 2,-0.5 -0.675 13.4-165.3 -81.7 105.7 25.2 19.2 47.2 77 82 A R E -AD 5 93A 21 16,-2.3 16,-3.4 -2,-0.9 2,-0.4 -0.825 4.9-156.6-104.1 123.1 26.7 16.2 49.0 78 83 A X E -AD 4 92A 1 -74,-2.8 -74,-2.3 -2,-0.5 2,-0.4 -0.814 12.8-179.9-101.2 132.8 26.1 12.7 47.7 79 84 A R E - 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