==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-NOV-06 2NTV . COMPND 2 MOLECULE: ENOYL-[ACP] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM LEPRAE; . AUTHOR F.WANG,J.C.SACCHETTINI . 536 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.4 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 . 35 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 0 1 2 1 1 7 0 1 0 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 1 5 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 PARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 134 0, 0.0 31,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 -24.5 17.9 9.7 23.9 2 3 A G > - 0 0 39 28,-0.1 3,-1.9 269,-0.0 29,-0.1 0.117 360.0 -44.4-115.5-153.1 16.3 6.2 24.2 3 4 A L T 3 S+ 0 0 25 1,-0.3 244,-0.3 269,-0.0 29,-0.1 0.715 125.8 28.1 -53.7 -37.2 14.3 3.2 23.2 4 5 A L T > S+ 0 0 0 27,-2.1 3,-2.2 24,-0.2 -1,-0.3 -0.051 81.8 165.8-120.1 26.6 11.2 5.0 21.7 5 6 A E T < S- 0 0 108 -3,-1.9 28,-0.2 1,-0.3 27,-0.1 -0.245 71.2 -1.3 -54.4 119.3 12.8 8.2 20.6 6 7 A G T 3 S+ 0 0 52 26,-1.6 2,-0.3 1,-0.3 -1,-0.3 0.471 95.5 135.8 82.9 4.0 10.6 10.2 18.3 7 8 A K < - 0 0 24 -3,-2.2 27,-2.9 25,-0.2 2,-0.5 -0.632 47.9-143.3 -85.7 142.5 7.7 7.6 18.3 8 9 A R E +a 34 0A 68 -2,-0.3 80,-3.6 78,-0.2 81,-1.8 -0.946 27.4 179.1-107.9 120.4 4.1 8.8 18.6 9 10 A I E -ab 35 89A 0 25,-2.3 27,-1.8 -2,-0.5 2,-0.5 -0.979 24.2-145.3-133.9 127.3 2.2 6.4 20.7 10 11 A L E -ab 36 90A 0 79,-2.4 81,-2.8 -2,-0.4 2,-0.5 -0.824 17.7-166.5 -87.9 132.5 -1.4 6.3 21.9 11 12 A V E -ab 37 91A 0 25,-2.5 27,-2.0 -2,-0.5 3,-0.2 -0.982 6.3-176.9-122.6 119.8 -1.9 4.8 25.3 12 13 A S + 0 0 1 79,-2.2 27,-0.1 -2,-0.5 25,-0.0 -0.614 52.8 54.6 -98.8 169.3 -5.4 3.9 26.5 13 14 A G + 0 0 23 25,-0.5 2,-0.5 1,-0.3 8,-0.4 0.500 55.1 144.7 92.3 5.3 -6.5 2.5 29.9 14 15 A I + 0 0 6 24,-0.7 26,-0.3 -3,-0.2 -1,-0.3 -0.675 5.1 146.4 -74.0 121.9 -5.2 4.9 32.5 15 16 A I - 0 0 72 1,-0.5 2,-0.2 -2,-0.5 -1,-0.2 0.616 69.0 -1.8-117.9 -42.8 -7.7 5.2 35.4 16 17 A T S > S- 0 0 22 33,-0.1 3,-1.0 34,-0.0 -1,-0.5 -0.798 81.1 -91.9-134.1-179.6 -5.4 5.7 38.4 17 18 A D T 3 S+ 0 0 102 -2,-0.2 6,-0.0 1,-0.2 -3,-0.0 0.566 125.3 56.1 -71.5 -7.5 -1.7 5.9 39.2 18 19 A S T 3 S+ 0 0 29 4,-0.1 -1,-0.2 5,-0.0 5,-0.0 0.583 78.6 115.3-101.2 -7.0 -1.8 2.1 39.8 19 20 A S S X> S- 0 0 9 -3,-1.0 4,-1.1 1,-0.1 3,-0.8 -0.249 74.9-127.2 -47.9 136.8 -3.2 1.2 36.3 20 21 A I H 3> S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.892 110.1 61.3 -64.3 -27.2 -0.7 -0.8 34.4 21 22 A A H 3> S+ 0 0 0 -8,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.782 95.1 60.8 -63.5 -29.6 -1.2 1.8 31.6 22 23 A F H <> S+ 0 0 21 -3,-0.8 4,-2.5 -6,-0.3 -1,-0.2 0.931 109.0 42.1 -62.9 -44.1 0.1 4.6 33.8 23 24 A H H X S+ 0 0 31 -4,-1.1 4,-2.4 -3,-0.3 5,-0.2 0.818 111.1 55.4 -71.0 -34.8 3.4 2.8 34.1 24 25 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.953 112.6 44.2 -60.4 -49.3 3.4 2.0 30.4 25 26 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.905 112.9 50.6 -59.6 -45.9 3.0 5.7 29.7 26 27 A K H X S+ 0 0 45 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.951 115.1 42.0 -59.0 -49.8 5.6 6.7 32.3 27 28 A V H X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.908 113.0 54.0 -67.5 -40.3 8.2 4.3 30.9 28 29 A A H <>S+ 0 0 0 -4,-2.5 5,-2.1 -5,-0.2 3,-0.2 0.919 111.5 45.6 -57.0 -46.7 7.3 5.2 27.3 29 30 A Q H ><5S+ 0 0 24 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.897 108.6 54.1 -64.1 -43.9 7.9 8.9 28.1 30 31 A E H 3<5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.779 106.8 55.7 -61.2 -25.2 11.2 8.3 29.9 31 32 A A T 3<5S- 0 0 7 -4,-1.4 -27,-2.1 -3,-0.2 -1,-0.3 0.219 128.3 -96.0 -93.5 12.3 12.2 6.5 26.7 32 33 A G T < 5S+ 0 0 23 -3,-2.0 -26,-1.6 1,-0.3 -3,-0.2 0.555 73.4 146.1 92.1 10.0 11.5 9.5 24.5 33 34 A A < - 0 0 11 -5,-2.1 2,-0.6 -28,-0.2 -1,-0.3 -0.534 44.5-137.3 -81.2 145.4 8.0 8.8 23.2 34 35 A Q E -a 8 0A 72 -27,-2.9 -25,-2.3 -30,-0.2 2,-0.2 -0.919 31.8-153.9 -97.5 120.3 5.4 11.5 22.5 35 36 A L E -a 9 0A 2 -2,-0.6 2,-0.4 -27,-0.2 -25,-0.2 -0.599 25.9-166.8 -98.8 152.1 2.1 10.3 23.9 36 37 A V E -a 10 0A 0 -27,-1.8 -25,-2.5 -2,-0.2 2,-0.3 -0.989 27.0-150.2-120.9 132.8 -1.6 10.8 23.2 37 38 A L E -ac 11 59A 3 21,-3.0 23,-2.6 -2,-0.4 2,-0.4 -0.765 7.7-157.0-106.2 152.1 -3.7 9.4 26.0 38 39 A T E + c 0 60A 6 -27,-2.0 -24,-0.7 -2,-0.3 -25,-0.5 -0.972 12.7 179.7-127.0 136.7 -7.2 8.0 25.9 39 40 A G E - c 0 61A 4 21,-2.2 23,-3.1 -2,-0.4 4,-0.1 -0.979 16.8-146.1-142.8 158.6 -9.6 7.8 28.9 40 41 A F - 0 0 111 -2,-0.3 -1,-0.1 -26,-0.3 3,-0.1 0.966 65.4 -30.2 -96.6 -59.3 -13.1 6.5 29.3 41 42 A D S S+ 0 0 98 1,-0.1 2,-1.4 21,-0.1 3,-0.2 0.626 118.6 62.4-139.5 -45.4 -15.6 8.1 31.7 42 43 A R > + 0 0 170 1,-0.2 4,-2.7 2,-0.1 5,-0.1 -0.526 59.2 159.0 -94.5 68.8 -13.9 9.7 34.8 43 44 A L H > + 0 0 47 -2,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.763 68.9 53.7 -69.6 -30.3 -11.9 12.3 32.8 44 45 A R H > S+ 0 0 224 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.912 111.3 47.5 -70.8 -42.9 -11.3 14.7 35.6 45 46 A L H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.971 115.2 46.4 -51.5 -55.2 -9.8 11.8 37.6 46 47 A I H X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.905 109.1 55.3 -61.1 -41.7 -7.8 10.8 34.6 47 48 A Q H X S+ 0 0 82 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.940 110.5 43.9 -55.6 -51.1 -6.6 14.4 33.9 48 49 A R H < S+ 0 0 149 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.784 116.7 46.5 -70.9 -23.6 -5.2 14.9 37.4 49 50 A I H >< S+ 0 0 22 -4,-1.7 3,-2.0 -5,-0.2 -2,-0.2 0.935 113.4 48.3 -75.7 -50.6 -3.5 11.4 37.4 50 51 A A H >< S+ 0 0 7 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.791 98.7 69.4 -61.4 -33.3 -2.1 12.0 33.9 51 52 A D T 3< S+ 0 0 81 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.701 91.2 62.4 -59.6 -16.8 -0.8 15.4 35.0 52 53 A R T < S+ 0 0 174 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.489 79.6 109.7 -89.3 -0.4 1.7 13.4 37.2 53 54 A L S < S- 0 0 13 -3,-1.8 -27,-0.1 -4,-0.1 -30,-0.0 -0.317 89.7 -99.3 -65.5 156.5 3.4 11.8 34.2 54 55 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.744 104.8 13.0 -49.5 -33.3 7.0 12.9 33.3 55 56 A D S S- 0 0 98 -5,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.991 89.7 -92.3-147.3 159.1 5.6 15.1 30.5 56 57 A K + 0 0 169 -2,-0.3 -21,-0.2 -4,-0.1 -5,-0.1 -0.377 40.1 178.8 -70.3 142.2 2.3 16.5 29.4 57 58 A A - 0 0 17 -2,-0.1 -21,-0.2 -23,-0.1 -4,-0.1 -0.997 35.0-101.8-142.6 135.9 0.3 14.6 26.8 58 59 A P - 0 0 44 0, 0.0 -21,-3.0 0, 0.0 2,-0.5 -0.310 33.2-142.6 -58.4 147.9 -3.1 15.4 25.3 59 60 A L E -c 37 0A 45 -23,-0.2 2,-0.3 -21,-0.0 -21,-0.2 -0.964 16.9-170.8-116.5 127.3 -6.0 13.4 26.8 60 61 A I E -c 38 0A 7 -23,-2.6 -21,-2.2 -2,-0.5 2,-0.4 -0.879 24.9-114.8-117.0 145.3 -8.8 12.3 24.5 61 62 A E E +c 39 0A 86 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.648 37.4 170.7 -80.1 133.3 -12.1 10.8 25.5 62 63 A L + 0 0 7 -23,-3.1 2,-0.7 -2,-0.4 -21,-0.1 -0.792 18.1 179.9-149.5 106.1 -12.7 7.1 24.4 63 64 A D > - 0 0 36 -2,-0.3 3,-1.9 3,-0.1 7,-0.2 -0.931 22.3-150.8 -93.3 116.0 -15.6 4.9 25.4 64 65 A V T 3 S+ 0 0 9 -2,-0.7 -1,-0.1 1,-0.3 64,-0.0 0.660 95.2 54.1 -67.7 -19.0 -14.8 1.7 23.5 65 66 A Q T 3 S+ 0 0 62 1,-0.0 2,-0.8 4,-0.0 -1,-0.3 0.467 89.0 94.3 -88.5 -3.9 -18.5 0.8 23.4 66 67 A N <> - 0 0 49 -3,-1.9 4,-1.6 1,-0.2 5,-0.2 -0.823 58.6-164.5 -96.6 111.5 -19.3 4.2 21.8 67 68 A E H > S+ 0 0 119 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.805 90.0 54.6 -62.1 -34.6 -19.4 4.0 18.0 68 69 A E H > S+ 0 0 149 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 105.0 52.5 -69.0 -39.8 -19.2 7.7 17.7 69 70 A H H > S+ 0 0 29 -6,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.897 114.1 43.9 -58.8 -43.4 -16.0 7.9 19.8 70 71 A L H X S+ 0 0 14 -4,-1.6 4,-0.5 -7,-0.2 3,-0.5 0.886 110.3 55.0 -68.1 -42.4 -14.4 5.3 17.6 71 72 A A H < S+ 0 0 86 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.822 117.4 36.5 -59.1 -34.6 -15.7 7.0 14.4 72 73 A T H X S+ 0 0 63 -4,-1.8 4,-2.4 1,-0.1 -1,-0.2 0.513 91.8 95.6 -96.8 -6.8 -14.0 10.3 15.4 73 74 A L H X S+ 0 0 0 -4,-0.7 4,-3.1 -3,-0.5 5,-0.2 0.870 81.7 49.0 -58.9 -48.9 -10.9 8.8 17.0 74 75 A A H X S+ 0 0 24 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.893 114.7 46.2 -60.3 -42.2 -8.4 9.1 14.1 75 76 A E H > S+ 0 0 136 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.922 113.3 49.8 -64.1 -44.1 -9.4 12.7 13.4 76 77 A R H X S+ 0 0 54 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.924 113.7 45.2 -62.5 -43.5 -9.2 13.6 17.1 77 78 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.918 111.8 51.8 -64.5 -46.5 -5.7 12.0 17.4 78 79 A T H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.882 109.6 50.2 -59.2 -40.0 -4.5 13.7 14.2 79 80 A A H < S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.954 112.8 48.0 -57.8 -47.5 -5.7 17.0 15.6 80 81 A E H < S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.835 121.3 33.4 -69.0 -32.2 -3.8 16.2 18.7 81 82 A I H < S- 0 0 12 -4,-2.6 -1,-0.2 4,-0.1 -2,-0.2 0.617 120.0 -96.7 -98.0 -13.5 -0.5 15.1 17.0 82 83 A G >< - 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0 0 23 -3,-1.9 -42,-0.0 -4,-0.2 -1,-0.0 -0.983 60.7-156.8-129.2 129.5 -1.6 -18.6 11.4 536 268 B L 0 0 150 -2,-0.4 -1,-0.1 1,-0.3 -43,-0.1 0.906 360.0 360.0 -67.7 -43.9 -3.0 -21.8 10.0 537 269 B L 0 0 138 -44,-0.1 -1,-0.3 -3,-0.1 -44,-0.1 -0.960 360.0 360.0-163.5 360.0 -2.6 -20.3 6.6