==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 26-SEP-07 2RES . COMPND 2 MOLECULE: MULTIFUNCTIONAL CYCLASE-DEHYDRATASE-3-O-METHYL . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GLAUCESCENS; . AUTHOR B.D.AMES,S.C.TSAI . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 73.0 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 . 54 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 9 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 2 1 0 1 0 0 1 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 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 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 0 221 0, 0.0 2,-0.4 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 -16.5 58.9 62.3 44.9 2 2 A A - 0 0 66 111,-0.1 111,-0.2 120,-0.0 2,-0.1 -0.916 360.0-126.4-115.6 139.9 59.0 64.6 41.9 3 3 A A E +A 112 0A 10 109,-1.4 109,-1.4 -2,-0.4 2,-0.3 -0.415 30.4 170.4 -81.9 157.5 61.7 64.5 39.2 4 4 A R E -A 111 0A 110 107,-0.2 2,-0.4 -2,-0.1 107,-0.2 -0.968 21.1-154.4-166.1 146.7 63.8 67.5 38.0 5 5 A T E -A 110 0A 2 105,-2.1 105,-2.0 -2,-0.3 2,-0.4 -0.972 8.2-173.4-125.7 144.5 66.8 68.4 35.8 6 6 A D E +A 109 0A 62 -2,-0.4 2,-0.4 103,-0.2 103,-0.2 -0.903 14.6 166.3-141.1 105.5 68.9 71.6 36.3 7 7 A N E -A 108 0A 18 101,-2.3 101,-3.2 -2,-0.4 2,-0.3 -0.961 10.3-172.7-127.4 141.6 71.6 72.3 33.7 8 8 A S E +A 107 0A 49 -2,-0.4 2,-0.3 99,-0.2 99,-0.2 -0.926 7.1 170.7-131.1 156.1 73.6 75.4 32.9 9 9 A I E -A 106 0A 25 97,-2.1 97,-3.2 -2,-0.3 2,-0.5 -0.966 26.8-128.0-160.3 147.2 76.1 76.5 30.2 10 10 A V E -A 105 0A 46 -2,-0.3 2,-0.5 95,-0.3 95,-0.3 -0.873 16.1-160.3-103.6 130.8 77.8 79.8 29.3 11 11 A V E -A 104 0A 1 93,-3.3 93,-3.1 -2,-0.5 2,-2.8 -0.947 20.1-133.8-111.1 122.1 77.6 81.1 25.7 12 12 A N S S+ 0 0 84 -2,-0.5 91,-0.2 91,-0.3 93,-0.0 -0.359 75.4 88.5 -74.7 65.2 80.3 83.6 24.8 13 13 A A S S- 0 0 3 -2,-2.8 -2,-0.2 91,-0.1 132,-0.1 -0.966 83.9 -82.5-154.1 161.9 77.8 86.0 23.1 14 14 A P > - 0 0 66 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.200 40.7-111.7 -66.3 161.2 75.5 88.9 24.1 15 15 A F H > S+ 0 0 22 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.928 112.4 59.8 -58.8 -49.5 72.1 88.3 25.6 16 16 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 109.7 41.3 -49.3 -46.1 70.2 89.6 22.6 17 17 A L H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 114.7 50.5 -70.2 -45.6 71.7 87.0 20.2 18 18 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 5,-0.2 0.906 113.9 47.2 -58.3 -41.7 71.4 84.2 22.7 19 19 A W H X S+ 0 0 19 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.925 111.7 47.3 -67.8 -47.4 67.7 85.1 23.3 20 20 A D H < S+ 0 0 75 -4,-2.3 4,-0.4 -5,-0.3 -2,-0.2 0.852 113.7 47.6 -66.5 -34.3 66.7 85.4 19.7 21 21 A V H >< S+ 0 0 28 -4,-2.3 3,-1.4 2,-0.2 6,-0.2 0.989 115.4 42.1 -69.8 -57.7 68.3 82.2 18.6 22 22 A T H 3< S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.808 115.2 49.9 -59.5 -34.6 66.9 80.0 21.4 23 23 A N T 3< S+ 0 0 32 -4,-2.0 2,-1.8 -5,-0.2 -1,-0.3 0.508 81.2 102.7 -84.8 -3.1 63.4 81.5 21.3 24 24 A D X - 0 0 73 -3,-1.4 3,-2.3 -4,-0.4 4,-0.3 -0.594 52.7-175.7 -82.4 82.8 63.1 81.1 17.5 25 25 A I G > S+ 0 0 8 -2,-1.8 3,-2.1 1,-0.3 -1,-0.2 0.820 75.4 61.9 -45.5 -46.8 60.9 78.0 17.6 26 26 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -3,-0.1 12,-0.1 0.581 102.4 54.9 -63.3 -7.4 60.8 77.4 13.8 27 27 A A G X> S+ 0 0 16 -3,-2.3 3,-2.0 -6,-0.2 4,-1.9 0.482 77.0 97.0-103.2 -5.3 64.6 76.9 14.0 28 28 A W H <> S+ 0 0 14 -3,-2.1 4,-3.4 -4,-0.3 7,-0.3 0.814 74.5 63.2 -54.9 -34.0 64.5 74.2 16.7 29 29 A P H 34 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.799 112.0 39.8 -63.0 -22.3 64.7 71.4 14.0 30 30 A E H <4 S+ 0 0 118 -3,-2.0 -2,-0.2 1,-0.1 -3,-0.1 0.805 121.3 41.7 -92.8 -32.7 68.1 72.9 13.3 31 31 A L H < S+ 0 0 10 -4,-1.9 2,-0.5 1,-0.1 -3,-0.2 0.856 112.4 53.4 -82.4 -40.1 69.1 73.6 16.9 32 32 A F >< - 0 0 9 -4,-3.4 3,-0.7 -5,-0.2 -1,-0.1 -0.864 67.8-149.6-103.3 131.7 67.9 70.4 18.6 33 33 A S T 3 S+ 0 0 68 -2,-0.5 -1,-0.1 1,-0.2 22,-0.1 0.732 94.7 56.7 -69.4 -21.9 69.0 67.0 17.3 34 34 A E T 3 S+ 0 0 58 20,-0.1 21,-2.3 98,-0.1 2,-0.5 0.676 89.6 82.8 -85.8 -18.1 65.7 65.4 18.4 35 35 A Y E < +B 54 0A 27 -3,-0.7 19,-0.3 -7,-0.3 3,-0.1 -0.762 38.0 171.6 -97.9 130.9 63.2 67.6 16.5 36 36 A A E S+ 0 0 42 17,-2.9 2,-0.3 -2,-0.5 18,-0.2 0.772 76.7 19.2 -96.0 -34.0 62.2 67.1 12.9 37 37 A E E +B 53 0A 76 16,-2.2 16,-1.9 -9,-0.1 -1,-0.3 -0.965 57.5 172.6-138.8 152.8 59.4 69.6 13.0 38 38 A A E +B 52 0A 15 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.874 9.9 169.8-161.5 123.3 58.3 72.6 15.1 39 39 A E E -B 51 0A 83 12,-2.1 12,-2.8 -2,-0.3 2,-0.5 -0.992 34.9-125.2-146.0 137.7 55.5 75.0 14.4 40 40 A I E -B 50 0A 57 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.656 24.9-172.5 -76.4 123.5 53.7 77.8 16.3 41 41 A L E - 0 0 60 8,-2.6 2,-0.3 -2,-0.5 9,-0.2 0.881 59.5 -20.6 -85.9 -41.9 50.0 76.9 16.1 42 42 A R E -B 49 0A 134 7,-1.3 7,-1.6 2,-0.0 2,-0.4 -0.986 55.6-121.3-163.0 163.7 48.6 80.1 17.6 43 43 A Q E -B 48 0A 125 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.942 12.4-170.9-117.6 134.8 49.2 83.1 19.7 44 44 A D - 0 0 56 3,-2.6 2,-0.6 -2,-0.4 4,-0.1 -0.640 51.8 -98.0-123.6 72.9 47.4 84.0 22.9 45 45 A G S S+ 0 0 77 -2,-0.3 2,-1.6 1,-0.2 -1,-0.2 -0.324 117.7 30.8 54.0-102.5 48.6 87.5 23.8 46 46 A D S S- 0 0 124 -2,-0.6 2,-0.2 -3,-0.1 -1,-0.2 -0.612 132.4 -3.3 -84.9 81.8 51.2 86.6 26.4 47 47 A G - 0 0 6 -2,-1.6 -3,-2.6 23,-0.1 2,-0.3 -0.667 64.5-133.7 128.6 176.3 52.3 83.2 25.0 48 48 A F E -BC 43 69A 20 21,-2.2 21,-3.1 -5,-0.3 2,-0.4 -0.987 14.6-117.6-165.6 160.9 51.6 80.7 22.3 49 49 A D E -BC 42 68A 22 -7,-1.6 -8,-2.6 -2,-0.3 -7,-1.3 -0.857 31.0-173.3-107.3 144.3 51.1 77.0 21.6 50 50 A F E -BC 40 67A 8 17,-2.1 17,-2.7 -2,-0.4 2,-0.4 -0.975 18.9-131.1-139.4 153.6 53.4 75.0 19.4 51 51 A R E -BC 39 66A 42 -12,-2.8 -12,-2.1 -2,-0.3 2,-0.4 -0.843 19.8-167.9-104.3 137.4 53.6 71.5 17.9 52 52 A L E -BC 38 65A 3 13,-2.5 13,-2.0 -2,-0.4 2,-0.4 -0.985 6.3-175.3-127.3 137.7 56.8 69.4 18.0 53 53 A K E -BC 37 64A 71 -16,-1.9 -17,-2.9 -2,-0.4 -16,-2.2 -0.994 19.6-140.2-133.5 124.0 57.5 66.2 16.1 54 54 A T E -B 35 0A 14 9,-2.8 -19,-0.3 -2,-0.4 3,-0.1 -0.261 13.1-115.3 -83.2 166.4 60.7 64.2 16.7 55 55 A R - 0 0 97 -21,-2.3 8,-0.3 1,-0.2 -1,-0.1 -0.473 66.2 -64.6 -86.1 167.5 63.1 62.4 14.5 56 56 A P - 0 0 88 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.340 63.8-137.2 -56.0 134.0 63.2 58.6 15.2 57 57 A D > - 0 0 53 4,-1.5 3,-2.3 -3,-0.1 5,-0.1 0.007 40.5 -68.7 -80.0-166.8 64.5 58.1 18.7 58 58 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.668 141.2 39.8 -58.3 -17.7 67.0 55.5 20.0 59 59 A N T 3 S- 0 0 141 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.240 122.1-105.2-113.9 8.9 64.4 52.8 19.3 60 60 A G S < S+ 0 0 49 -3,-2.3 2,-0.4 1,-0.2 -2,-0.1 0.582 72.7 142.6 79.1 11.2 63.1 54.4 16.1 61 61 A R - 0 0 133 -5,-0.1 -4,-1.5 -6,-0.1 2,-0.5 -0.717 41.4-145.3 -91.3 132.5 59.9 55.7 17.5 62 62 A V - 0 0 56 -2,-0.4 2,-0.3 -6,-0.2 -7,-0.1 -0.820 17.5-166.3 -96.3 129.9 58.6 59.1 16.4 63 63 A W - 0 0 102 -2,-0.5 -9,-2.8 -8,-0.3 2,-0.3 -0.839 7.4-175.4-116.2 154.2 56.8 61.3 19.0 64 64 A E E +C 53 0A 98 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.997 11.8 150.8-148.4 142.4 54.5 64.4 18.6 65 65 A W E -C 52 0A 26 -13,-2.0 -13,-2.5 -2,-0.3 2,-0.4 -0.985 36.0-113.7-163.0 167.7 52.9 66.7 21.1 66 66 A V E -C 51 0A 24 -2,-0.3 17,-3.1 -15,-0.2 18,-1.7 -0.916 30.2-176.1-113.8 138.5 51.6 70.3 21.7 67 67 A S E -CD 50 82A 8 -17,-2.7 -17,-2.1 -2,-0.4 2,-0.4 -0.791 18.5-136.3-126.9 169.6 53.1 72.6 24.2 68 68 A H E -CD 49 81A 35 13,-2.4 13,-1.7 -2,-0.3 2,-0.3 -0.998 22.3-171.9-130.2 129.6 52.4 76.1 25.5 69 69 A A E -CD 48 80A 5 -21,-3.1 -21,-2.2 -2,-0.4 11,-0.3 -0.886 18.1-168.8-124.7 154.7 55.1 78.7 26.1 70 70 A V E - D 0 79A 46 9,-3.2 9,-1.6 -2,-0.3 2,-0.2 -0.774 16.0-168.6-139.2 85.6 55.2 82.2 27.7 71 71 A P E - D 0 78A 46 0, 0.0 2,-0.3 0, 0.0 7,-0.3 -0.579 4.8-166.4 -78.7 146.0 58.5 83.9 27.0 72 72 A D E > > + D 0 77A 76 5,-3.1 5,-1.5 -2,-0.2 3,-1.1 -0.717 11.2 176.3-133.5 83.2 59.3 87.1 28.9 73 73 A K G > 5S+ 0 0 82 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.879 79.5 63.4 -53.7 -41.9 62.3 88.9 27.3 74 74 A G G 3 5S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.844 114.1 32.6 -52.8 -37.3 61.9 91.8 29.8 75 75 A S G < 5S- 0 0 80 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.212 109.4-122.3-104.6 12.1 62.7 89.4 32.7 76 76 A R T < 5S+ 0 0 100 -3,-1.8 21,-1.8 -4,-0.3 2,-0.3 0.897 74.6 108.1 46.2 53.5 65.1 87.2 30.6 77 77 A T E < -DE 72 96A 25 -5,-1.5 -5,-3.1 19,-0.2 2,-0.3 -0.978 49.5-159.4-152.3 156.9 63.1 84.1 31.3 78 78 A V E -DE 71 95A 9 17,-2.1 17,-2.6 -2,-0.3 2,-0.4 -0.984 5.8-165.2-145.5 132.2 60.8 81.7 29.5 79 79 A R E +DE 70 94A 139 -9,-1.6 -9,-3.2 -2,-0.3 2,-0.3 -0.905 16.5 158.9-116.8 146.7 58.3 79.2 30.8 80 80 A A E -DE 69 93A 13 13,-2.0 13,-2.8 -2,-0.4 2,-0.3 -0.968 12.4-175.9-158.3 165.9 56.6 76.4 29.0 81 81 A H E -DE 68 92A 77 -13,-1.7 -13,-2.4 -2,-0.3 11,-0.2 -0.967 35.0 -93.4-164.9 152.8 54.8 73.1 29.7 82 82 A R E -D 67 0A 34 9,-1.9 9,-0.3 -2,-0.3 -15,-0.3 -0.467 22.5-171.4 -73.2 143.8 53.3 70.2 27.7 83 83 A V S S+ 0 0 80 -17,-3.1 2,-1.0 1,-0.3 -16,-0.2 0.800 91.4 42.4 -97.3 -47.5 49.6 70.4 26.9 84 84 A E S S- 0 0 106 -18,-1.7 -1,-0.3 1,-0.1 -18,-0.1 -0.861 82.3-167.3 -99.7 96.7 49.5 66.8 25.6 85 85 A T > - 0 0 30 -2,-1.0 3,-2.2 -3,-0.2 -1,-0.1 0.610 7.4-170.6 -63.4 -17.8 51.7 65.2 28.3 86 86 A G T 3 S- 0 0 42 1,-0.3 -1,-0.2 3,-0.1 -21,-0.0 -0.419 74.3 -8.7 61.9-123.3 52.3 61.9 26.5 87 87 A P T 3 S+ 0 0 37 0, 0.0 28,-2.4 0, 0.0 -1,-0.3 0.568 122.2 91.9 -83.0 -7.4 54.0 59.5 29.0 88 88 A F E < - F 0 114A 9 -3,-2.2 26,-0.2 26,-0.2 3,-0.2 -0.589 69.5-147.4 -88.4 146.9 54.4 62.4 31.5 89 89 A A E S- 0 0 45 24,-3.8 2,-0.3 1,-0.4 25,-0.2 0.859 91.1 -20.7 -75.1 -35.0 51.9 63.2 34.2 90 90 A Y E - F 0 113A 89 23,-0.9 23,-1.2 -5,-0.1 -1,-0.4 -0.940 61.5-155.0-167.4 150.4 53.1 66.8 33.6 91 91 A M E - F 0 112A 22 -9,-0.3 -9,-1.9 -2,-0.3 2,-0.3 -0.910 14.0-176.6-141.2 110.1 56.2 68.4 32.0 92 92 A N E -EF 81 111A 65 19,-3.4 19,-2.1 -2,-0.4 2,-0.4 -0.783 5.6-162.9-107.5 150.3 57.3 71.9 33.0 93 93 A L E -EF 80 110A 37 -13,-2.8 -13,-2.0 -2,-0.3 2,-0.4 -0.997 7.8-179.8-134.8 135.3 60.2 73.9 31.5 94 94 A H E -EF 79 109A 43 15,-2.8 15,-2.9 -2,-0.4 2,-0.4 -0.953 4.7-177.4-139.7 118.8 61.9 77.0 32.9 95 95 A W E -EF 78 108A 13 -17,-2.6 -17,-2.1 -2,-0.4 2,-0.3 -0.913 2.1-176.8-116.2 142.1 64.8 78.8 31.1 96 96 A T E -EF 77 107A 31 11,-1.8 11,-2.2 -2,-0.4 2,-0.4 -0.967 12.1-154.3-136.5 151.7 66.8 81.8 32.4 97 97 A Y E - 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