==== 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 18-JAN-05 1YKN . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR C.K.BROWN,D.H.OHLENDORF . 2628 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 97502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1471 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 186 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 488 18.6 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 . 42 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.5 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 . 6 0.2 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 . 196 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 317 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.2 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 12 15 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 RESIDUES PER ALPHA HELIX . 18 24 12 6 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 . 34 8 12 6 25 16 7 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 . 19 12 0 18 5 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 P 0 0 125 0, 0.0 2,-0.4 0, 0.0 1265,-0.0 0.000 360.0 360.0 360.0 168.3 29.9 -4.0 3.0 2 2 A I - 0 0 154 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.588 360.0-163.1 -78.5 121.1 30.4 -6.5 5.9 3 3 A E - 0 0 173 -2,-0.4 2,-0.1 3,-0.0 -1,-0.0 -0.930 3.3-157.8-105.7 123.7 28.5 -5.2 9.1 4 4 A L - 0 0 59 -2,-0.4 285,-0.2 1,-0.2 284,-0.1 -0.388 42.6 -71.9 -88.4 175.6 29.5 -6.8 12.5 5 5 A L - 0 0 84 283,-1.9 2,-0.3 282,-0.1 -1,-0.2 -0.459 65.2-110.5 -59.5 140.1 27.2 -6.9 15.7 6 6 A P - 0 0 53 0, 0.0 421,-0.1 0, 0.0 -1,-0.1 -0.662 30.9-105.2 -72.8 150.2 27.4 -3.2 16.8 7 7 A E - 0 0 6 -2,-0.3 421,-0.2 1,-0.1 397,-0.1 -0.289 43.3 -97.2 -71.8 140.3 29.3 -2.4 20.1 8 8 A T - 0 0 0 419,-2.5 -1,-0.1 1,-0.1 421,-0.1 -0.397 52.3-107.6 -52.0 126.5 27.0 -1.7 23.1 9 9 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 208,-0.1 -0.409 30.4-116.5 -63.3 152.9 26.9 2.1 23.3 10 10 A S - 0 0 1 367,-0.1 2,-0.3 208,-0.1 367,-0.2 -0.346 28.0-172.2 -80.5 153.6 28.7 4.1 26.0 11 11 A Q - 0 0 2 365,-1.5 127,-0.2 124,-0.1 365,-0.1 -0.967 37.4 -80.9-136.1 161.9 27.0 6.3 28.7 12 12 A T - 0 0 1 -2,-0.3 124,-0.2 1,-0.1 121,-0.1 -0.189 30.0-127.8 -58.6 151.0 28.5 8.6 31.3 13 13 A A - 0 0 2 122,-0.5 120,-0.2 119,-0.5 3,-0.2 0.762 50.7-146.4 -75.3 -21.7 29.9 7.1 34.5 14 14 A G > - 0 0 3 118,-0.4 3,-1.2 121,-0.2 119,-0.4 0.028 26.9 -61.8 81.8 170.8 27.7 9.6 36.2 15 15 A P T 3 S+ 0 0 47 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.795 129.0 48.1 -67.2 -18.9 28.2 11.6 39.6 16 16 A Y T >> + 0 0 35 1,-0.2 3,-2.1 -3,-0.2 4,-0.6 0.106 62.1 125.9-119.4 38.7 28.3 8.6 41.8 17 17 A V H <> + 0 0 0 -3,-1.2 4,-2.6 1,-0.3 3,-0.5 0.713 65.7 74.4 -66.8 -19.6 30.7 6.4 40.0 18 18 A H H 3> S+ 0 0 5 -3,-0.3 4,-2.1 1,-0.2 8,-0.4 0.883 85.9 64.0 -64.3 -23.6 32.7 6.2 43.3 19 19 A I H <4 S+ 0 0 0 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 116.0 25.6 -72.7 -24.0 30.1 3.9 44.8 20 20 A G H < S+ 0 0 1 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.803 135.7 29.8-104.8 -23.6 30.7 1.1 42.3 21 21 A L H < S+ 0 0 4 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.519 124.8 25.9-118.5 -10.4 34.3 1.9 41.5 22 22 A A X + 0 0 2 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 -0.629 65.1 176.6-151.8 79.0 36.3 3.6 44.3 23 23 A L T 4>S+ 0 0 10 2,-0.2 5,-1.4 -3,-0.2 -1,-0.1 0.906 78.1 43.3 -57.2 -48.7 34.6 2.5 47.5 24 24 A E T >45S+ 0 0 132 1,-0.2 3,-4.8 2,-0.2 -1,-0.1 0.979 113.1 53.2 -59.7 -63.0 36.9 4.1 50.1 25 25 A A T 345S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.772 105.5 54.1 -50.7 -24.6 37.0 7.3 48.1 26 26 A A T 3<5S- 0 0 0 -4,-1.5 286,-0.5 -8,-0.4 -1,-0.3 0.419 115.6-122.2 -85.8 0.2 33.2 7.2 48.2 27 27 A G T < 5S+ 0 0 57 -3,-4.8 -3,-0.2 1,-0.2 -2,-0.1 0.921 73.6 120.9 56.2 48.3 33.5 7.0 52.1 28 28 A N S - 0 0 83 47,-3.4 3,-2.4 -2,-0.5 47,-0.0 -0.646 43.3 -94.1 -78.6 160.1 54.5 -2.5 46.7 42 42 A P T 3 S+ 0 0 127 0, 0.0 6,-0.1 0, 0.0 -1,-0.0 0.710 124.1 49.4 -48.3 -29.7 57.8 -1.2 48.5 43 43 A D T 3 S+ 0 0 127 2,-0.0 45,-0.1 45,-0.0 46,-0.1 0.007 79.3 124.2 -98.4 16.5 59.9 -4.2 47.3 44 44 A A < - 0 0 6 -3,-2.4 4,-0.1 44,-0.2 -4,-0.1 -0.690 69.3-111.0 -76.1 139.3 58.9 -4.0 43.6 45 45 A P S S+ 0 0 106 0, 0.0 30,-0.4 0, 0.0 2,-0.1 -0.339 76.6 50.9 -66.6 145.8 61.9 -3.6 41.4 46 46 A G S S- 0 0 42 28,-0.1 2,-0.7 29,-0.1 -2,-0.0 -0.472 98.9 -43.7 121.4 175.4 62.3 -0.2 39.6 47 47 A E - 0 0 87 63,-0.3 63,-1.5 -2,-0.1 2,-0.3 -0.727 58.1-136.3 -80.5 106.6 62.3 3.5 40.4 48 48 A H E +B 109 0A 51 -2,-0.7 133,-0.3 61,-0.2 2,-0.3 -0.601 30.9 177.0 -68.3 122.6 59.5 4.2 42.8 49 49 A I E -B 108 0A 0 59,-2.2 59,-2.1 -2,-0.3 2,-0.4 -0.921 27.4-139.2-125.5 153.3 57.5 7.3 41.9 50 50 A L E -Bc 107 182A 16 131,-1.9 133,-1.6 -2,-0.3 2,-0.4 -0.922 21.6-160.1-106.8 132.7 54.4 9.2 43.2 51 51 A L E +Bc 106 183A 1 55,-2.4 55,-1.9 -2,-0.4 2,-0.3 -0.966 17.0 166.4-114.3 139.3 52.0 10.6 40.4 52 52 A L E +Bc 105 184A 10 131,-2.5 133,-2.7 -2,-0.4 2,-0.3 -0.996 2.3 142.4-146.8 160.6 49.6 13.3 41.1 53 53 A G E -B 104 0A 0 51,-1.6 51,-2.8 -2,-0.3 2,-0.3 -0.992 32.4-122.4 178.7 169.5 47.3 15.8 39.3 54 54 A Q - 0 0 37 -2,-0.3 133,-2.7 49,-0.2 2,-0.4 -0.854 19.5-135.4-123.1 169.3 44.2 17.6 39.0 55 55 A V E -f 187 0C 0 47,-0.5 8,-2.6 8,-0.3 2,-0.4 -0.989 18.2-164.6-129.8 133.7 41.5 17.7 36.2 56 56 A Y E -fG 188 62C 55 131,-2.3 133,-2.5 -2,-0.4 134,-0.5 -0.915 10.0-139.5-123.8 149.8 39.9 21.0 35.0 57 57 A D > - 0 0 15 4,-2.6 3,-2.2 -2,-0.4 174,-0.2 -0.299 44.5 -79.3 -96.9-172.7 36.8 21.5 32.9 58 58 A G T 3 S+ 0 0 19 172,-3.8 134,-0.2 1,-0.3 173,-0.1 0.526 127.5 52.5 -66.8 -9.6 36.4 24.0 30.1 59 59 A N T 3 S- 0 0 66 2,-0.2 -1,-0.3 171,-0.1 3,-0.1 0.249 120.3-101.8-103.4 -4.7 35.8 26.9 32.4 60 60 A G S < S+ 0 0 45 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.529 79.0 132.9 98.5 8.4 38.9 26.4 34.4 61 61 A H - 0 0 19 1,-0.1 -4,-2.6 542,-0.0 -1,-0.3 -0.625 61.7 -97.8-103.7 146.0 37.1 24.8 37.4 62 62 A L B -G 56 0C 35 -2,-0.2 2,-0.8 -6,-0.2 -6,-0.2 -0.315 22.9-137.3 -61.6 138.0 38.2 21.7 39.2 63 63 A V + 0 0 1 -8,-2.6 3,-0.4 39,-0.2 -8,-0.3 -0.911 26.9 176.0 -95.0 99.6 36.5 18.3 38.3 64 64 A R + 0 0 91 -2,-0.8 37,-0.1 1,-0.2 -1,-0.1 0.055 67.6 55.9 -87.5 -2.2 36.0 16.8 41.7 65 65 A D S S+ 0 0 10 33,-0.1 68,-0.4 68,-0.1 -48,-0.2 -0.092 75.2 129.4-123.3 31.2 34.1 13.7 40.7 66 66 A S - 0 0 0 -3,-0.4 31,-1.5 66,-0.1 2,-0.4 -0.524 39.3-156.2 -91.8 160.4 36.4 12.0 38.2 67 67 A F E -HI 96 131D 0 64,-2.6 64,-2.5 29,-0.2 2,-0.3 -0.961 12.3-164.1-129.4 139.4 37.6 8.5 38.1 68 68 A L E -HI 95 130D 0 27,-2.7 27,-1.5 -2,-0.4 2,-0.4 -0.977 9.0-161.3-130.2 142.1 40.8 7.4 36.3 69 69 A E E -HI 94 129D 9 60,-1.9 60,-2.0 -2,-0.3 2,-0.3 -0.993 12.9-164.3-123.2 131.3 42.2 4.0 35.1 70 70 A V E -HI 93 128D 3 23,-2.4 23,-1.7 -2,-0.4 2,-0.4 -0.903 10.5-173.1-117.0 152.6 46.0 3.5 34.3 71 71 A W E +HI 92 127D 3 56,-1.8 56,-2.5 -2,-0.3 2,-0.3 -0.989 20.1 160.2-141.5 126.1 47.7 0.8 32.4 72 72 A Q - 0 0 0 19,-2.0 8,-0.5 -2,-0.4 54,-0.1 -0.990 38.9-107.0-147.6 154.6 51.6 0.8 32.4 73 73 A A - 0 0 2 52,-0.5 6,-0.2 -2,-0.3 36,-0.2 -0.290 39.2-112.5 -72.4 160.7 54.6 -1.5 31.7 74 74 A D > - 0 0 23 4,-3.0 38,-2.5 37,-0.1 3,-1.8 -0.259 51.2 -78.3 -72.5-169.2 56.8 -2.7 34.7 75 75 A A T 3 S+ 0 0 37 -30,-0.4 38,-0.2 1,-0.3 -29,-0.1 0.687 131.4 58.8 -69.2 -22.4 60.3 -1.5 34.9 76 76 A N T 3 S- 0 0 136 2,-0.2 -1,-0.3 36,-0.1 3,-0.1 0.307 122.0-103.0 -86.9 4.5 61.5 -3.9 32.3 77 77 A G S < S+ 0 0 12 -3,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.789 80.6 134.5 80.1 29.0 59.1 -2.5 29.7 78 78 A E - 0 0 82 -4,-0.1 -4,-3.0 36,-0.1 2,-0.5 -0.900 53.7-132.4-121.2 137.1 56.7 -5.5 30.2 79 79 A Y - 0 0 4 -2,-0.4 124,-2.2 124,-0.3 2,-0.9 -0.765 16.5-154.1 -87.9 130.5 52.9 -5.4 30.6 80 80 A Q + 0 0 52 -2,-0.5 11,-1.0 -8,-0.5 12,-0.2 -0.833 20.8 169.8-110.3 100.0 51.7 -7.6 33.5 81 81 A D + 0 0 52 -2,-0.9 170,-3.3 169,-0.1 2,-1.4 0.778 50.9 94.1 -82.7 -17.2 48.2 -8.7 32.9 82 82 A A B -m 251 0E 49 168,-0.2 2,-0.3 170,-0.1 170,-0.1 -0.515 70.0-155.6 -76.4 87.3 47.7 -11.3 35.7 83 83 A Y + 0 0 10 168,-2.5 171,-0.5 -2,-1.4 2,-0.3 -0.670 28.1 151.0 -68.5 140.6 46.2 -8.9 38.2 84 84 A N > - 0 0 33 -2,-0.3 3,-1.6 169,-0.1 171,-0.1 -0.923 48.3-135.9-167.9 129.9 46.7 -10.0 41.9 85 85 A L T 3 S+ 0 0 58 1,-0.3 170,-0.1 -2,-0.3 5,-0.1 0.677 105.4 61.5 -69.1 -11.6 46.9 -8.1 45.2 86 86 A E T 3 S+ 0 0 168 3,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.607 81.4 98.1 -80.5 -23.9 49.9 -10.4 46.2 87 87 A N S < S- 0 0 56 -3,-1.6 3,-0.1 1,-0.1 -43,-0.1 -0.366 75.6-135.8 -63.0 148.0 52.2 -9.3 43.2 88 88 A A S S+ 0 0 26 1,-0.3 -47,-3.4 -45,-0.1 2,-0.4 0.721 93.5 36.1 -76.9 -26.9 54.7 -6.6 44.2 89 89 A F B -E 40 0B 21 -49,-0.2 2,-0.3 -5,-0.1 -1,-0.3 -0.983 62.0-177.4-135.0 126.5 53.7 -5.0 40.9 90 90 A N - 0 0 7 -51,-2.3 -9,-0.1 -2,-0.4 -7,-0.1 -0.920 21.4-147.0-111.5 143.8 50.4 -4.6 39.0 91 91 A S S S+ 0 0 1 -11,-1.0 -19,-2.0 -2,-0.3 2,-0.4 0.627 81.6 64.8 -83.0 -12.9 50.2 -2.9 35.5 92 92 A F E +H 71 0D 9 -12,-0.2 2,-0.3 -21,-0.2 -21,-0.2 -0.854 56.0 148.2-117.4 141.6 46.7 -1.6 36.3 93 93 A G E -H 70 0D 0 -23,-1.7 -23,-2.4 -2,-0.4 2,-0.3 -0.946 26.5-143.2-152.4-179.7 45.2 0.7 38.9 94 94 A R E +H 69 0D 5 -58,-0.6 2,-0.3 -2,-0.3 -25,-0.2 -0.941 19.2 167.4-142.0 150.9 42.4 3.3 39.5 95 95 A T E -H 68 0D 3 -27,-1.5 -27,-2.7 -2,-0.3 2,-0.3 -0.824 13.7-159.5-157.2 175.8 42.5 6.5 41.5 96 96 A A E -H 67 0D 7 -2,-0.3 2,-0.3 -29,-0.2 9,-0.3 -0.957 21.2-126.0-160.4 154.9 39.8 9.5 41.6 97 97 A T + 0 0 0 -31,-1.5 5,-0.3 -2,-0.3 2,-0.3 -0.838 37.6 179.6-103.7 150.5 39.6 13.1 42.5 98 98 A T - 0 0 18 3,-3.2 -33,-0.1 -2,-0.3 -32,-0.1 -0.814 44.7 -88.9-140.4 177.5 36.7 13.7 45.1 99 99 A F S S+ 0 0 104 -2,-0.3 3,-0.3 1,-0.2 -1,-0.1 0.973 128.9 39.0 -58.3 -49.1 35.2 16.8 47.0 100 100 A D S S+ 0 0 153 1,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.804 124.3 41.7 -65.3 -41.9 37.7 16.5 49.9 101 101 A A + 0 0 50 -37,-0.1 -3,-3.2 1,-0.1 -1,-0.3 -0.908 62.0 176.5-120.4 90.1 40.7 15.4 47.6 102 102 A G S S+ 0 0 13 -2,-0.5 -47,-0.5 -3,-0.3 2,-0.3 0.586 70.0 68.8 -65.8 -12.5 40.6 17.7 44.4 103 103 A E S S- 0 0 77 -49,-0.1 2,-0.3 -6,-0.1 -49,-0.2 -0.781 74.2-145.0-113.8 143.6 43.8 15.8 43.5 104 104 A W E - 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