==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE,LYASE 15-NOV-12 4HZO . COMPND 2 MOLECULE: BIFUNCTIONAL METHYLMALONYL-COA:ACP . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES ATROOLIVACEUS; . AUTHOR J.R.LOHMAN,C.A.BINGMAN,G.N.PHILLIPS JR.,B.SHEN,ENZYME DISCOV . 300 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.7 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 . 96 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.3 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 . 22 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 16.0 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+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 1 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 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 . 3 1 0 0 1 1 0 2 3 2 0 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 1 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 11 A P 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.6 6.9 9.8 10.3 2 12 A E - 0 0 72 80,-0.1 2,-0.6 1,-0.1 80,-0.2 -0.283 360.0-117.9 -59.8 154.9 8.6 12.8 11.8 3 13 A I E -A 81 0A 50 78,-2.8 78,-2.1 2,-0.0 2,-0.4 -0.915 29.0-170.7-107.7 114.3 9.9 12.3 15.3 4 14 A K E +A 80 0A 73 -2,-0.6 2,-0.3 76,-0.2 76,-0.2 -0.861 9.8 174.5 -96.6 134.0 8.4 14.6 18.1 5 15 A Q E -A 79 0A 57 74,-2.2 74,-2.6 -2,-0.4 2,-0.5 -0.996 30.9-133.9-137.1 153.3 10.0 14.6 21.5 6 16 A A E -A 78 0A 93 -2,-0.3 2,-0.5 72,-0.2 72,-0.2 -0.891 33.4-167.1 -97.5 128.0 9.4 16.6 24.7 7 17 A V E -A 77 0A 5 70,-2.5 70,-2.7 -2,-0.5 2,-0.5 -0.961 18.6-157.1-126.3 125.9 12.9 17.7 26.0 8 18 A T E -A 76 0A 52 -2,-0.5 68,-0.2 68,-0.2 2,-0.1 -0.857 38.5-110.5 -95.3 127.5 13.8 19.1 29.3 9 19 A V - 0 0 5 66,-3.2 65,-2.4 -2,-0.5 66,-0.1 -0.363 38.8-162.6 -64.7 131.0 17.0 21.0 29.0 10 20 A R > - 0 0 108 63,-0.2 3,-2.2 -2,-0.1 4,-0.2 -0.769 32.9-111.5-108.5 158.4 19.9 19.1 30.8 11 21 A P G > S+ 0 0 81 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.817 115.9 64.1 -54.0 -34.7 23.4 20.4 31.9 12 22 A G G 3 S+ 0 0 52 1,-0.2 11,-0.1 7,-0.0 10,-0.1 0.415 105.9 40.7 -71.0 6.7 24.8 18.2 29.2 13 23 A M G < S+ 0 0 0 -3,-2.2 2,-0.3 9,-0.1 -1,-0.2 0.153 108.7 53.4-140.3 21.5 23.2 20.0 26.3 14 24 A C < + 0 0 10 -3,-1.0 3,-0.3 -4,-0.2 5,-0.2 -0.852 58.1 75.2-142.9-172.3 23.5 23.8 27.1 15 25 A G S S- 0 0 40 56,-0.5 5,-0.3 53,-0.4 56,-0.1 -0.361 90.6 -55.5 101.2 174.5 25.8 26.6 28.0 16 26 A P S S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 53,-0.1 0.496 112.2 77.6 -77.3 0.9 28.4 28.7 26.2 17 27 A G S S- 0 0 49 -3,-0.3 3,-0.3 204,-0.0 4,-0.2 0.088 101.7 -87.5 -84.8-153.1 30.3 25.5 25.0 18 28 A S S > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.1 5,-0.1 0.153 91.4 107.5-106.3 16.3 29.6 23.0 22.3 19 29 A L H > S+ 0 0 85 -5,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 78.3 51.8 -67.8 -40.1 27.3 20.7 24.3 20 30 A F H > S+ 0 0 10 -5,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.965 110.5 47.2 -60.5 -42.1 24.1 21.9 22.6 21 31 A V H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.889 109.9 55.4 -67.2 -29.5 25.6 21.2 19.1 22 32 A G H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.927 107.8 48.7 -71.1 -38.8 26.7 17.8 20.5 23 33 A Q H X S+ 0 0 28 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.905 108.9 54.6 -64.2 -47.4 23.1 17.0 21.5 24 34 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.931 107.6 48.4 -51.1 -40.7 21.9 18.1 18.0 25 35 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 108.0 52.9 -76.3 -33.0 24.2 15.8 16.3 26 36 A D H X S+ 0 0 72 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.910 109.4 51.8 -66.2 -39.5 23.2 12.7 18.5 27 37 A W H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.878 107.5 52.3 -65.1 -30.7 19.6 13.5 17.6 28 38 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.939 109.6 47.7 -64.1 -48.6 20.5 13.5 13.9 29 39 A W H X S+ 0 0 51 -4,-2.2 4,-1.7 1,-0.2 11,-0.3 0.929 115.0 47.0 -63.8 -40.8 22.2 10.1 14.2 30 40 A E H X S+ 0 0 88 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.878 113.7 48.8 -62.2 -38.6 19.0 8.8 16.1 31 41 A T H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.949 111.5 46.2 -72.3 -44.7 16.6 10.3 13.5 32 42 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 6,-0.3 0.848 111.3 55.2 -61.1 -38.8 18.4 8.9 10.5 33 43 A S H <>S+ 0 0 26 -4,-1.7 5,-0.8 -5,-0.3 4,-0.4 0.895 111.5 44.5 -62.3 -39.1 18.5 5.5 12.3 34 44 A A H <5S+ 0 0 69 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 122.0 35.1 -76.7 -33.0 14.8 5.6 12.7 35 45 A Q H <5S+ 0 0 42 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.607 119.5 43.8-101.1 -14.0 13.9 6.7 9.2 36 46 A C T <5S- 0 0 0 -4,-1.9 116,-2.1 2,-0.2 -2,-0.1 0.183 101.6-121.1-121.9 13.0 16.5 5.0 7.0 37 47 A D T 5S+ 0 0 122 -4,-0.4 2,-0.4 1,-0.2 -3,-0.1 0.798 72.8 119.3 55.0 40.1 16.4 1.5 8.6 38 48 A T S S+ 0 0 1 -2,-1.6 3,-1.1 -11,-0.3 13,-0.2 0.889 76.0 59.6 -56.9 -38.0 23.8 4.6 12.4 41 51 A F T 3 S+ 0 0 102 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.840 118.6 27.5 -60.3 -40.5 25.8 4.1 15.6 42 52 A A T 3 S+ 0 0 63 -3,-0.4 -1,-0.3 2,-0.0 -2,-0.2 0.134 87.9 155.6-111.9 22.6 27.2 0.7 14.6 43 53 A A < + 0 0 11 -3,-1.1 8,-2.7 -4,-0.4 2,-0.3 -0.140 13.7 175.5 -58.6 134.9 27.2 1.2 10.8 44 54 A R B -K 50 0B 139 6,-0.3 2,-0.2 105,-0.1 -2,-0.0 -0.935 25.8-127.0-135.1 151.4 29.6 -0.9 8.7 45 55 A D > - 0 0 29 4,-3.0 3,-2.4 -2,-0.3 4,-0.1 -0.481 45.9 -87.6 -89.2 175.6 30.2 -1.3 5.0 46 56 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.857 127.8 58.5 -55.9 -39.6 30.3 -4.8 3.3 47 57 A S T 3 S- 0 0 98 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.748 122.8-106.6 -55.3 -23.2 34.0 -5.3 4.0 48 58 A G S < S+ 0 0 30 -3,-2.4 -2,-0.2 1,-0.3 -1,-0.1 0.494 72.0 148.2 95.3 10.7 33.2 -4.8 7.7 49 59 A N - 0 0 82 -4,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.642 53.8-114.4 -82.1 139.4 34.7 -1.4 7.7 50 60 A P B -K 44 0B 44 0, 0.0 2,-0.4 0, 0.0 84,-0.3 -0.445 32.4-160.3 -67.8 138.5 33.1 1.0 10.2 51 61 A T - 0 0 2 -8,-2.7 2,-0.4 -11,-0.1 82,-0.2 -0.997 2.1-151.1-125.8 137.6 31.4 3.8 8.3 52 62 A Y E -B 132 0A 38 80,-2.6 80,-2.3 -2,-0.4 2,-1.7 -0.834 19.2-131.5-115.4 138.8 30.6 7.1 10.0 53 63 A L E -B 131 0A 0 -2,-0.4 78,-0.2 78,-0.2 2,-0.1 -0.657 43.0-157.9 -89.1 83.3 27.7 9.5 9.2 54 64 A A E -B 130 0A 30 76,-1.7 76,-2.5 -2,-1.7 2,-0.2 -0.390 16.3-114.3 -72.4 141.4 30.1 12.5 9.2 55 65 A F E +B 129 0A 20 74,-0.2 74,-0.2 1,-0.1 3,-0.1 -0.503 43.9 159.3 -69.7 130.7 28.9 16.1 9.7 56 66 A Y E + 0 0 36 72,-2.0 194,-3.0 1,-0.4 2,-0.4 0.640 65.5 17.4-123.9 -51.8 29.5 18.1 6.5 57 67 A Y E -BC 128 249A 1 71,-2.0 71,-3.2 192,-0.2 2,-0.4 -0.996 67.7-179.4-129.2 136.0 27.2 21.2 6.6 58 68 A F E -BC 127 248A 1 190,-2.7 190,-2.2 -2,-0.4 2,-0.4 -0.986 2.3-178.0-141.9 118.0 25.6 22.4 9.9 59 69 A R E -BC 126 247A 32 67,-3.3 67,-2.5 -2,-0.4 2,-0.4 -0.979 8.6-177.9-121.8 140.2 23.3 25.3 10.4 60 70 A V E +BC 125 246A 12 186,-2.5 186,-2.1 -2,-0.4 2,-0.5 -0.962 14.1 174.9-128.0 116.3 21.8 26.6 13.7 61 71 A R E +BC 124 245A 42 63,-2.9 63,-3.0 -2,-0.4 184,-0.3 -0.968 15.7 131.7-128.0 127.5 19.4 29.6 13.2 62 72 A G - 0 0 18 182,-2.9 2,-0.3 -2,-0.5 5,-0.2 -0.170 34.6-141.7-133.0-120.6 17.4 31.2 15.9 63 73 A G B > -L 66 0C 9 3,-1.0 3,-1.2 180,-0.2 180,-0.1 -0.921 45.6 -56.9 161.4 166.5 16.9 34.9 16.8 64 74 A R T 3 S+ 0 0 144 -2,-0.3 3,-0.2 1,-0.2 -1,-0.1 0.821 127.9 52.7 -39.5 -43.1 16.5 37.1 19.8 65 75 A E T 3 S+ 0 0 150 1,-0.3 2,-0.3 57,-0.1 -1,-0.2 0.795 127.4 9.9 -78.7 -20.4 13.4 35.3 21.2 66 76 A L B < S+L 63 0C 1 -3,-1.2 -3,-1.0 56,-0.2 -1,-0.3 -0.849 75.2 144.8-152.3 116.2 15.1 31.8 21.1 67 77 A H > - 0 0 24 -2,-0.3 3,-1.8 -5,-0.2 4,-0.4 -0.883 63.1 -92.8-137.1 176.1 18.7 31.1 20.5 68 78 A P G > S+ 0 0 35 0, 0.0 3,-1.5 0, 0.0 -53,-0.4 0.886 125.2 56.4 -61.8 -34.5 21.1 28.5 21.9 69 79 A G G 3 S+ 0 0 59 1,-0.3 173,-0.0 174,-0.2 -55,-0.0 0.614 95.5 68.1 -71.7 -9.3 22.3 30.9 24.7 70 80 A S G < S+ 0 0 29 -3,-1.8 2,-0.5 -55,-0.1 -1,-0.3 0.611 78.2 100.5 -77.3 -18.1 18.6 31.3 25.8 71 81 A L < + 0 0 10 -3,-1.5 -56,-0.5 -4,-0.4 2,-0.3 -0.612 48.5 173.5 -80.5 125.6 18.5 27.7 27.0 72 82 A T > - 0 0 85 -2,-0.5 3,-2.0 -58,-0.1 -63,-0.2 -0.806 44.2 -70.4-120.4 169.4 18.8 27.1 30.8 73 83 A F T 3 S+ 0 0 133 1,-0.3 -63,-0.2 -2,-0.3 -1,-0.1 -0.242 119.1 19.2 -58.0 133.8 18.5 24.0 33.0 74 84 A G T 3 S+ 0 0 35 -65,-2.4 -1,-0.3 1,-0.3 -64,-0.1 0.290 83.0 148.3 92.7 -12.1 15.0 22.8 33.3 75 85 A D < - 0 0 33 -3,-2.0 -66,-3.2 -67,-0.1 2,-0.6 -0.281 44.8-131.9 -55.4 132.4 13.6 24.6 30.1 76 86 A R E +A 8 0A 157 -68,-0.2 24,-2.2 -70,-0.0 25,-0.3 -0.827 33.5 175.5 -93.3 126.2 10.8 22.6 28.5 77 87 A L E -AD 7 99A 1 -70,-2.7 -70,-2.5 -2,-0.6 2,-0.4 -0.888 28.0-139.7-124.0 159.2 11.2 22.2 24.7 78 88 A T E -AD 6 98A 14 20,-3.3 20,-2.4 -2,-0.3 2,-0.5 -0.979 20.9-162.8-118.9 132.5 9.5 20.5 21.9 79 89 A V E -AD 5 97A 0 -74,-2.6 -74,-2.2 -2,-0.4 2,-0.5 -0.967 6.8-171.7-119.4 124.3 11.7 19.0 19.2 80 90 A T E +AD 4 96A 0 16,-3.2 16,-3.4 -2,-0.5 2,-0.3 -0.962 14.1 175.9-118.0 131.0 10.6 18.0 15.8 81 91 A S E +AD 3 95A 0 -78,-2.1 -78,-2.8 -2,-0.5 2,-0.3 -0.942 9.1 149.0-135.9 143.7 12.9 16.0 13.5 82 92 A G E - D 0 94A 3 12,-2.0 12,-2.9 -2,-0.3 2,-0.2 -0.946 31.4-117.4-171.0 155.0 13.1 14.3 10.1 83 93 A C E - D 0 93A 1 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.604 16.3-153.9 -93.3 154.1 15.2 13.4 7.2 84 94 A Y E - D 0 92A 13 8,-2.6 8,-1.9 -2,-0.2 2,-0.2 -0.974 31.9 -98.3-125.5 144.6 15.1 14.3 3.5 85 95 A D E + D 0 91A 26 72,-3.1 74,-0.4 -2,-0.4 6,-0.1 -0.406 45.2 157.4 -68.5 125.4 16.4 12.4 0.5 86 96 A Q - 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0 0 21 -3,-1.2 3,-0.1 1,-0.1 2,-0.0 -0.124 65.3-114.5 -55.9 148.9 3.2 21.8 13.6 108 118 A P - 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 -0.258 45.5 -73.2 -79.9 169.8 5.0 19.4 11.3 109 119 A L - 0 0 14 -28,-0.1 2,-0.4 -15,-0.1 -28,-0.1 -0.313 49.1-164.9 -57.7 148.4 8.3 20.3 9.6 110 120 A D > - 0 0 69 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.894 15.7-158.0-143.9 108.9 7.9 22.8 6.8 111 121 A L H > S+ 0 0 30 -2,-0.4 4,-2.5 1,-0.2 5,-0.3 0.854 96.2 56.3 -58.5 -37.6 10.7 23.3 4.2 112 122 A H H >>S+ 0 0 69 2,-0.2 4,-3.3 1,-0.2 5,-2.3 0.965 107.9 47.0 -61.4 -48.4 9.3 26.7 3.3 113 123 A E H 45S+ 0 0 4 3,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.941 115.8 46.6 -51.2 -53.4 9.5 27.9 7.0 114 124 A F H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 124.8 28.1 -57.2 -43.6 13.1 26.5 7.4 115 125 A Y H <5S+ 0 0 42 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.706 138.7 9.7-102.4 -22.7 14.5 27.9 4.2 116 126 A E T <5S+ 0 0 115 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.665 127.5 37.0-128.5 -35.7 12.5 31.1 3.4 117 127 A R < + 0 0 188 -5,-2.3 2,-0.2 2,-0.0 -3,-0.1 -0.434 64.9 176.8-121.6 64.5 10.2 32.0 6.4 118 128 A P - 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