==== 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 05-OCT-05 2D40 . COMPND 2 MOLECULE: PUTATIVE GENTISATE 1,2-DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.ADAMS,Z.JIA,MONTREAL-KINGSTON BACTERIAL STRUCTURAL GENOM . 1146 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42417.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 712 62.1 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 . 398 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 77 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 0 4 3 5 0 0 0 1 3 0 0 0 0 0 0 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 . 16 16 10 21 6 7 7 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 4 6 3 0 0 1 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 35 A T 0 0 121 0, 0.0 993,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 13.3 11.1 -17.6 2 36 A P + 0 0 52 0, 0.0 2,-0.2 0, 0.0 988,-0.1 0.571 360.0 171.9 -60.5-163.5 10.0 13.0 -16.9 3 37 A N + 0 0 93 986,-0.2 983,-0.0 254,-0.1 989,-0.0 -0.589 8.1 141.8-148.8-131.9 6.7 12.8 -18.9 4 38 A A - 0 0 2 -2,-0.2 2,-0.2 982,-0.1 983,-0.1 0.611 23.8-146.5 108.0 145.4 3.3 14.0 -18.6 5 39 A N + 0 0 116 981,-0.3 -1,-0.1 1,-0.1 22,-0.1 -0.859 48.8 109.0-155.6 112.6 0.4 15.4 -20.6 6 40 A C S S- 0 0 1 -2,-0.2 21,-0.2 29,-0.1 22,-0.1 0.291 70.8-125.0-139.8 -2.2 -2.5 17.9 -20.3 7 41 A A - 0 0 34 20,-0.1 247,-0.1 19,-0.1 -2,-0.1 0.704 25.4 -82.4 61.8 132.4 -1.2 20.5 -22.6 8 42 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 247,-0.1 -0.421 57.4 179.2 -59.3 145.0 -0.6 24.2 -21.8 9 43 A A E -A 254 0A 11 245,-0.6 245,-1.8 234,-0.0 2,-0.3 -0.948 17.6-165.8-145.5 159.1 -3.9 26.1 -22.2 10 44 A Y E -A 253 0A 53 -2,-0.3 2,-0.4 243,-0.2 243,-0.2 -0.980 2.8-172.0-145.7 144.3 -5.2 29.7 -21.9 11 45 A W E -A 252 0A 53 241,-2.7 241,-2.0 -2,-0.3 2,-0.5 -0.999 17.2-142.7-137.7 130.7 -8.6 31.2 -21.8 12 46 A N - 0 0 33 -2,-0.4 3,-0.4 3,-0.3 5,-0.2 -0.836 11.3-140.9 -92.1 127.0 -9.3 34.9 -21.9 13 47 A Y S >> S+ 0 0 12 -2,-0.5 4,-2.6 235,-0.2 3,-0.6 0.838 99.2 54.4 -60.0 -40.6 -12.1 36.1 -19.6 14 48 A Q T 34 S+ 0 0 135 1,-0.3 2,-0.9 2,-0.2 -1,-0.2 0.909 108.8 50.2 -60.4 -38.5 -13.6 38.7 -22.1 15 49 A E T 34 S+ 0 0 142 -3,-0.4 -3,-0.3 1,-0.2 -1,-0.3 -0.458 121.9 30.2 -96.0 61.3 -13.8 36.0 -24.9 16 50 A I T <4 S+ 0 0 33 -2,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.062 92.1 89.2 175.2 -35.7 -15.7 33.5 -22.8 17 51 A R < + 0 0 105 -4,-2.6 2,-2.9 -5,-0.2 -3,-0.1 0.870 63.8 93.0 -42.0 -46.7 -17.7 35.6 -20.3 18 52 A P 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 -0.194 360.0 360.0 -54.6 68.0 -20.6 35.7 -23.0 19 53 A L 0 0 88 -2,-2.9 3,-0.1 3,-0.0 -3,-0.0 -0.783 360.0 360.0-142.1 360.0 -22.3 32.5 -21.2 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 71 A L 0 0 111 0, 0.0 2,-0.4 0, 0.0 22,-0.2 0.000 360.0 360.0 360.0 134.9 -21.4 26.2 -16.3 22 72 A V E -J 42 0B 34 20,-2.0 20,-2.4 -3,-0.1 2,-0.3 -0.921 360.0-155.1-127.3 101.3 -18.6 26.5 -19.0 23 73 A L E -J 41 0B 77 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.537 5.3-154.6 -68.6 137.8 -16.2 23.5 -18.8 24 74 A E + 0 0 6 16,-1.6 16,-0.4 -2,-0.3 -13,-0.0 -0.986 13.9 178.7-123.2 136.7 -12.8 24.0 -20.0 25 75 A N - 0 0 52 -2,-0.5 9,-0.2 1,-0.1 4,-0.1 -0.866 17.8-148.3-124.4 153.7 -10.5 21.2 -21.4 26 76 A P S S- 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.876 76.5 -38.5 -79.8 -62.9 -6.9 21.5 -22.8 27 77 A A S S+ 0 0 62 -21,-0.2 -20,-0.1 -22,-0.1 7,-0.1 -0.253 119.1 91.5 180.0 39.7 -6.1 18.9 -25.5 28 78 A L > - 0 0 24 5,-0.2 3,-1.9 -22,-0.1 5,-0.1 -0.131 69.0-175.9-135.6 13.8 -8.0 16.1 -23.7 29 79 A R T 3 + 0 0 224 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.098 66.1 23.6 -20.5 128.4 -11.1 17.2 -25.8 30 80 A G T 3 S+ 0 0 73 1,-0.0 -1,-0.3 3,-0.0 0, 0.0 0.255 99.2 96.0 93.0 -13.2 -14.1 15.2 -24.8 31 81 A Q S < S- 0 0 126 -3,-1.9 -2,-0.1 2,-0.2 3,-0.1 0.312 82.5-135.2-103.2 9.5 -12.7 14.4 -21.4 32 82 A S + 0 0 66 1,-0.1 2,-0.3 -4,-0.1 -3,-0.1 0.868 65.8 117.7 38.2 45.6 -14.5 17.2 -19.5 33 83 A S - 0 0 3 -5,-0.1 6,-0.2 6,-0.1 -2,-0.2 -0.999 58.6-157.7-150.3 139.4 -11.1 17.9 -17.7 34 84 A I S S+ 0 0 0 4,-1.5 2,-0.2 -2,-0.3 5,-0.2 0.740 92.0 12.4 -89.9 -30.0 -8.7 20.8 -17.4 35 85 A T S S- 0 0 1 3,-2.6 -29,-0.1 -10,-0.1 5,-0.1 -0.744 92.7 -93.6-130.9 176.8 -5.9 18.4 -16.3 36 86 A A S S+ 0 0 28 -2,-0.2 952,-0.1 951,-0.2 951,-0.1 0.782 126.3 19.0 -65.2 -27.9 -5.5 14.7 -16.3 37 87 A T S S+ 0 0 1 950,-0.1 78,-2.4 77,-0.1 2,-0.3 0.663 118.5 67.4-105.3 -26.6 -6.8 14.6 -12.7 38 88 A L - 0 0 0 76,-0.2 -3,-2.6 75,-0.1 -4,-1.5 -0.724 56.6-154.1-113.9 146.1 -8.6 17.8 -12.2 39 89 A Y E + K 0 111B 14 72,-3.2 72,-2.2 -2,-0.3 2,-0.3 -0.872 15.7 177.9-115.2 144.6 -11.8 19.5 -13.5 40 90 A A E + K 0 110B 0 -16,-0.4 -16,-1.6 -2,-0.3 2,-0.3 -0.985 5.5 157.3-150.3 147.6 -12.4 23.2 -13.8 41 91 A G E -JK 23 109B 0 68,-1.1 68,-3.0 -2,-0.3 2,-0.7 -0.986 42.5-106.8-160.9 158.8 -15.2 25.4 -15.0 42 92 A L E -JK 22 108B 6 -20,-2.4 -20,-2.0 -2,-0.3 2,-0.3 -0.916 37.7-164.6 -94.8 119.4 -16.9 28.8 -14.9 43 93 A Q E - K 0 107B 35 64,-2.1 64,-2.0 -2,-0.7 2,-0.4 -0.813 2.4-164.7-100.7 150.2 -20.3 28.5 -12.9 44 94 A L E - K 0 106B 36 -2,-0.3 2,-0.4 62,-0.2 62,-0.2 -0.990 7.3-171.2-135.4 125.6 -23.0 31.3 -13.0 45 95 A I E - K 0 105B 4 60,-2.1 60,-2.2 -2,-0.4 3,-0.1 -0.999 18.6-147.1-124.3 123.5 -25.9 31.6 -10.7 46 96 A X > - 0 0 93 -2,-0.4 3,-2.6 58,-0.2 53,-0.2 -0.626 35.9 -77.4 -93.9 156.6 -28.4 34.2 -11.8 47 97 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 55,-0.1 -0.197 122.0 28.8 -48.7 131.5 -30.5 36.4 -9.4 48 98 A G T 3 S+ 0 0 67 51,-2.7 2,-0.4 1,-0.2 54,-0.1 0.181 90.3 129.8 99.4 -6.8 -33.3 34.2 -8.1 49 99 A E < + 0 0 95 -3,-2.6 50,-1.5 50,-0.3 2,-0.4 -0.569 29.9 179.1 -86.9 135.3 -31.5 30.8 -8.3 50 100 A V E -O 98 0C 89 -2,-0.4 48,-0.2 48,-0.2 46,-0.0 -0.984 13.0-154.7-129.7 125.1 -31.3 28.3 -5.5 51 101 A A E -O 97 0C 24 46,-2.3 46,-0.9 -2,-0.4 3,-0.1 -0.883 24.3-121.1 -93.5 125.7 -29.5 24.8 -5.7 52 102 A P E - 0 0 84 0, 0.0 2,-0.2 0, 0.0 43,-0.1 -0.063 38.0 -85.4 -58.7 159.7 -30.8 22.0 -3.3 53 103 A S E + 0 0 3 43,-0.1 74,-2.8 41,-0.1 2,-0.3 -0.516 56.3 155.8 -74.0 138.3 -28.5 20.4 -0.8 54 104 A H E -OP 95 126C 66 41,-1.7 41,-1.2 -2,-0.2 2,-0.3 -0.938 26.0-148.9-151.4 175.1 -26.3 17.4 -1.8 55 105 A R E + P 0 125C 52 70,-2.4 70,-2.2 -2,-0.3 2,-0.3 -0.946 16.9 166.2-145.6 154.4 -23.2 15.6 -0.9 56 106 A H E - P 0 124C 22 35,-0.8 37,-0.3 -2,-0.3 68,-0.2 -0.857 43.0-119.0-169.4 145.9 -20.6 13.7 -2.9 57 107 A N S S+ 0 0 6 66,-1.3 2,-0.5 -2,-0.3 35,-0.2 0.558 84.5 102.7 -84.7 10.2 -17.1 12.4 -2.2 58 108 A Q S S- 0 0 5 65,-0.4 -2,-0.1 33,-0.2 55,-0.1 -0.697 73.5-133.0 -76.8 123.9 -15.6 14.6 -5.0 59 109 A S - 0 0 3 -2,-0.5 53,-1.2 33,-0.0 2,-0.3 -0.317 28.4-171.2 -79.4 154.9 -13.9 17.6 -3.3 60 110 A A E -LM 89 111B 6 29,-0.8 29,-2.7 51,-0.2 2,-0.3 -0.991 17.2-164.9-152.6 151.9 -14.6 21.0 -4.7 61 111 A L E -LM 88 110B 0 49,-2.3 49,-2.4 -2,-0.3 2,-0.3 -0.834 5.6-158.7-136.4 155.4 -13.6 24.6 -4.6 62 112 A R E -LM 87 109B 14 25,-2.4 25,-2.2 -2,-0.3 2,-0.5 -0.951 2.1-166.4-138.0 116.1 -15.1 27.8 -5.8 63 113 A F E -LM 86 108B 0 45,-1.8 45,-2.8 -2,-0.3 23,-0.2 -0.939 29.3-123.9-102.1 121.2 -13.0 31.0 -6.4 64 114 A I E + M 0 107B 0 21,-1.8 20,-2.4 -2,-0.5 43,-0.3 -0.438 32.2 175.2 -71.6 126.2 -15.3 33.9 -6.8 65 115 A V E - 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