==== 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 1YKO . 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) . 97303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1487 56.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 188 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 493 18.8 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 . 219 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 300 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 4.8 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 24 4 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 10 8 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 . 31 13 10 3 26 19 6 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 . 18 12 0 18 1 5 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 0 124 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.9 29.7 -4.1 3.1 2 2 A I - 0 0 149 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.738 360.0-165.7 -84.1 119.2 30.4 -6.5 5.9 3 3 A E - 0 0 168 -2,-0.6 2,-0.1 3,-0.0 0, 0.0 -0.932 1.2-164.4-111.4 127.6 28.6 -5.5 9.1 4 4 A L - 0 0 61 -2,-0.5 285,-0.1 1,-0.2 284,-0.1 -0.370 44.1 -67.4 -95.1 179.8 29.4 -7.0 12.4 5 5 A L - 0 0 80 283,-1.9 -1,-0.2 -2,-0.1 425,-0.2 -0.486 62.3-109.9 -67.4 137.8 27.4 -6.9 15.7 6 6 A P - 0 0 53 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.477 31.1-109.6 -73.1 146.9 27.3 -3.3 16.9 7 7 A E - 0 0 7 -2,-0.1 421,-0.2 1,-0.1 397,-0.1 -0.466 40.6 -95.9 -72.2 146.1 29.3 -2.5 20.1 8 8 A T - 0 0 0 419,-2.8 -1,-0.1 -2,-0.1 421,-0.1 -0.461 50.9-108.5 -61.9 125.7 27.2 -1.7 23.2 9 9 A P - 0 0 0 0, 0.0 369,-0.3 0, 0.0 2,-0.1 -0.355 29.6-119.1 -62.7 141.6 27.0 2.2 23.4 10 10 A S - 0 0 2 367,-0.1 2,-0.3 208,-0.1 367,-0.2 -0.410 28.3-170.6 -78.0 151.6 28.9 4.0 26.1 11 11 A Q - 0 0 2 365,-1.9 127,-0.1 -2,-0.1 365,-0.1 -0.965 35.2 -82.5-139.0 154.7 27.1 6.1 28.7 12 12 A T - 0 0 1 -2,-0.3 124,-0.2 1,-0.1 121,-0.1 -0.196 30.0-128.7 -57.0 147.2 28.5 8.6 31.3 13 13 A A - 0 0 2 119,-0.6 120,-0.2 122,-0.5 -1,-0.1 0.760 49.1-143.4 -69.5 -22.5 29.8 7.1 34.5 14 14 A G > - 0 0 4 118,-0.4 3,-1.0 121,-0.2 119,-0.2 -0.018 27.3 -69.5 79.9 169.3 27.6 9.6 36.3 15 15 A P T 3 S+ 0 0 44 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.849 129.3 55.7 -65.2 -31.6 28.2 11.5 39.6 16 16 A Y T > + 0 0 33 1,-0.2 3,-1.9 2,-0.1 4,-0.4 0.113 65.4 121.8 -93.7 26.6 28.0 8.4 41.8 17 17 A V T X> + 0 0 0 -3,-1.0 4,-1.6 1,-0.3 3,-1.1 0.766 65.4 69.6 -56.2 -28.8 30.7 6.4 39.9 18 18 A H H 3> S+ 0 0 6 -3,-0.5 4,-1.4 1,-0.2 8,-0.4 0.721 83.5 67.4 -66.7 -24.7 32.5 6.2 43.2 19 19 A I H <4 S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.754 115.2 26.2 -73.0 -17.2 30.0 3.8 44.9 20 20 A G H <4 S+ 0 0 1 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.652 135.2 26.7-115.9 -20.5 30.9 1.0 42.6 21 21 A L H < S+ 0 0 2 -4,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.464 128.6 32.5-122.0 -8.0 34.5 1.7 41.5 22 22 A A X + 0 0 2 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.1 -0.475 64.7 166.7-150.4 65.6 36.1 3.7 44.3 23 23 A L T 4>S+ 0 0 6 1,-0.2 5,-2.0 2,-0.2 3,-0.3 0.862 75.3 49.4 -52.6 -45.6 34.4 2.5 47.5 24 24 A E T >45S+ 0 0 135 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.918 110.8 50.9 -62.2 -45.3 36.8 4.1 50.0 25 25 A A T 345S+ 0 0 25 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.752 104.1 58.5 -64.8 -28.0 36.6 7.5 48.3 26 26 A A T 3<5S- 0 0 0 -4,-1.4 286,-0.5 -8,-0.4 -1,-0.3 0.401 116.3-114.9 -82.5 -1.1 32.8 7.3 48.4 27 27 A G T < 5S+ 0 0 52 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.806 76.2 126.8 69.7 29.8 32.9 7.0 52.2 28 28 A N < - 0 0 29 -5,-2.0 -1,-0.3 1,-0.0 -2,-0.1 -0.831 69.4 -89.5-115.7 152.4 31.5 3.5 52.1 29 29 A P - 0 0 98 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.399 45.7-133.6 -64.8 138.2 32.9 0.3 53.6 30 30 A T - 0 0 76 1,-0.1 2,-0.2 -2,-0.1 4,-0.1 -0.348 9.7-117.1 -87.4 169.2 35.3 -1.7 51.3 31 31 A R - 0 0 42 2,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.454 40.6 -91.5 -97.0 173.8 35.5 -5.4 50.4 32 32 A D S S+ 0 0 156 -2,-0.2 2,-0.4 1,-0.2 225,-0.1 0.924 113.6 31.8 -52.6 -52.2 38.5 -7.7 51.2 33 33 A Q S S+ 0 0 50 223,-0.5 2,-0.3 2,-0.0 -1,-0.2 -0.937 73.2 176.4-116.2 127.7 40.2 -7.0 47.9 34 34 A E - 0 0 38 -2,-0.4 2,-0.7 -4,-0.1 -13,-0.0 -0.950 31.3-127.8-129.1 151.6 40.0 -3.7 46.0 35 35 A I + 0 0 4 -2,-0.3 2,-0.1 -14,-0.1 58,-0.1 -0.893 54.3 141.5 -98.6 109.3 41.6 -2.3 42.9 36 36 A W - 0 0 58 -2,-0.7 58,-1.0 2,-0.2 59,-0.1 -0.471 59.8 -61.7-132.1-157.5 43.2 1.0 43.9 37 37 A N S S+ 0 0 15 56,-0.2 70,-2.7 -2,-0.1 2,-0.9 0.323 95.3 90.5 -79.6 2.4 46.1 3.5 43.6 38 38 A R B +a 107 0A 165 1,-0.2 -2,-0.2 68,-0.2 70,-0.2 -0.773 37.7 158.7-104.8 88.9 49.1 1.4 44.8 39 39 A L + 0 0 3 68,-1.9 51,-2.0 -2,-0.9 2,-0.4 0.848 66.1 47.5 -74.1 -35.7 50.5 -0.4 41.8 40 40 A A B S-E 89 0B 9 67,-1.2 49,-0.2 49,-0.2 -1,-0.1 -0.881 70.8-145.9-115.9 139.3 53.8 -1.0 43.4 41 41 A K > - 0 0 85 47,-2.6 3,-2.1 -2,-0.4 47,-0.0 -0.662 40.6 -99.6 -92.3 153.5 54.7 -2.4 46.9 42 42 A P T 3 S+ 0 0 128 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.721 122.3 53.3 -47.1 -26.1 57.9 -1.0 48.7 43 43 A D T 3 S+ 0 0 125 2,-0.1 45,-0.1 45,-0.1 -3,-0.0 0.107 81.8 120.3 -99.4 20.5 60.0 -4.0 47.6 44 44 A A < - 0 0 7 -3,-2.1 4,-0.1 44,-0.2 2,-0.1 -0.668 69.4-106.7 -87.4 137.9 59.2 -3.7 43.9 45 45 A P S S+ 0 0 103 0, 0.0 30,-0.5 0, 0.0 2,-0.2 -0.388 76.3 44.0 -67.1 136.9 62.0 -3.3 41.3 46 46 A G S S- 0 0 40 -2,-0.1 2,-0.9 29,-0.1 -2,-0.0 -0.581 98.7 -43.4 123.9 175.5 62.5 0.2 39.8 47 47 A E - 0 0 82 63,-0.3 63,-1.9 -2,-0.2 2,-0.3 -0.728 59.9-135.1 -84.2 106.7 62.5 3.9 40.6 48 48 A H E -B 109 0A 55 -2,-0.9 133,-0.5 61,-0.2 2,-0.3 -0.467 30.9-179.0 -67.5 120.9 59.5 4.4 42.9 49 49 A I E -Bc 108 181A 0 59,-3.0 59,-2.1 -2,-0.3 2,-0.5 -0.868 25.5-139.8-123.5 157.5 57.5 7.5 41.9 50 50 A L E -Bc 107 182A 20 131,-2.4 133,-1.9 -2,-0.3 2,-0.4 -0.977 19.9-160.7-116.4 123.1 54.5 9.4 43.1 51 51 A L E +Bc 106 183A 1 55,-3.3 55,-2.6 -2,-0.5 2,-0.3 -0.869 16.9 164.9-106.7 141.2 52.1 10.7 40.5 52 52 A L E +Bc 105 184A 12 131,-1.9 133,-3.0 -2,-0.4 2,-0.3 -0.991 1.5 141.5-151.6 155.3 49.6 13.5 41.1 53 53 A G E -B 104 0A 0 51,-1.5 51,-2.2 -2,-0.3 2,-0.3 -0.986 33.4-117.7-178.5 172.6 47.3 15.9 39.3 54 54 A Q - 0 0 34 -2,-0.3 133,-2.6 49,-0.2 2,-0.5 -0.844 21.4-133.4-124.3 156.9 44.1 17.8 38.9 55 55 A V E -f 187 0C 1 47,-0.4 8,-2.4 -2,-0.3 2,-0.4 -0.978 21.1-161.8-116.4 127.8 41.4 17.7 36.2 56 56 A Y E -fG 188 62C 47 131,-3.2 133,-2.5 -2,-0.5 134,-0.4 -0.896 6.2-144.5-113.2 140.2 40.1 21.0 34.8 57 57 A D > - 0 0 13 4,-2.8 3,-1.4 -2,-0.4 174,-0.2 -0.179 43.8 -83.3 -85.5-173.6 36.9 21.7 32.8 58 58 A G T 3 S+ 0 0 22 172,-3.0 134,-0.2 1,-0.3 173,-0.1 0.615 128.8 52.6 -67.9 -15.3 36.4 24.2 30.0 59 59 A N T 3 S- 0 0 63 171,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.386 120.5-106.3 -98.9 -0.4 35.8 27.1 32.4 60 60 A G S < S+ 0 0 47 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.528 77.4 135.1 86.6 8.7 39.0 26.4 34.3 61 61 A H - 0 0 23 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.610 60.8 -95.4 -91.9 151.0 37.1 24.9 37.3 62 62 A L B -G 56 0C 36 -2,-0.2 2,-1.0 -6,-0.2 -6,-0.2 -0.358 20.1-140.3 -69.2 137.8 38.0 21.7 39.1 63 63 A V > + 0 0 1 -8,-2.4 3,-0.7 39,-0.2 -8,-0.3 -0.872 25.0 178.2 -97.9 93.9 36.3 18.4 38.2 64 64 A R T 3 S+ 0 0 93 -2,-1.0 36,-0.1 1,-0.2 -1,-0.1 0.129 70.8 56.0 -86.6 17.8 35.9 17.0 41.7 65 65 A D T 3 S+ 0 0 7 33,-0.1 68,-0.2 68,-0.1 -1,-0.2 0.117 75.1 133.2-137.1 22.8 34.1 13.9 40.6 66 66 A S < - 0 0 0 -3,-0.7 31,-1.9 66,-0.1 2,-0.4 -0.416 38.1-156.6 -81.7 151.7 36.5 12.3 38.1 67 67 A F E -HI 96 131D 0 64,-3.5 64,-3.1 29,-0.2 2,-0.4 -0.994 11.7-166.1-127.4 129.7 37.6 8.6 38.0 68 68 A L E -HI 95 130D 1 27,-3.1 27,-2.4 -2,-0.4 2,-0.4 -0.955 8.5-163.4-124.2 139.8 40.8 7.6 36.3 69 69 A E E -HI 94 129D 8 60,-2.2 60,-2.3 -2,-0.4 2,-0.3 -0.982 13.7-159.3-120.6 132.6 42.2 4.2 35.2 70 70 A V E -HI 93 128D 3 23,-2.3 23,-1.3 -2,-0.4 2,-0.4 -0.863 12.2-173.0-116.9 150.9 45.9 3.6 34.5 71 71 A W E +HI 92 127D 3 56,-2.4 56,-2.9 -2,-0.3 2,-0.3 -0.976 20.7 153.6-142.5 120.3 47.8 1.1 32.5 72 72 A Q - 0 0 0 19,-2.2 8,-0.4 -2,-0.4 54,-0.1 -0.972 37.7-112.7-146.7 161.2 51.6 0.9 32.5 73 73 A A - 0 0 2 52,-0.5 6,-0.2 -2,-0.3 17,-0.1 -0.389 37.8-108.2 -86.1 166.1 54.6 -1.4 32.0 74 74 A D > - 0 0 23 4,-2.3 38,-2.7 37,-0.2 3,-1.0 -0.118 48.8 -79.4 -80.4-169.4 57.1 -2.4 34.7 75 75 A A T 3 S+ 0 0 41 -30,-0.5 38,-0.2 36,-0.3 -29,-0.1 0.766 133.3 52.7 -65.2 -23.5 60.7 -1.1 35.0 76 76 A N T 3 S- 0 0 138 36,-0.2 -1,-0.3 2,-0.1 37,-0.1 0.625 120.8-106.7 -85.4 -16.6 61.7 -3.7 32.3 77 77 A G S < S+ 0 0 15 -3,-1.0 2,-0.4 1,-0.3 38,-0.2 0.806 75.9 133.3 92.0 32.5 59.0 -2.6 29.9 78 78 A E - 0 0 86 36,-0.1 -4,-2.3 -6,-0.0 2,-0.6 -0.955 54.4-129.4-118.5 137.4 56.8 -5.6 30.3 79 79 A Y - 0 0 3 -2,-0.4 124,-1.9 124,-0.4 2,-1.1 -0.784 14.3-153.7 -89.8 115.5 53.0 -5.5 30.8 80 80 A Q + 0 0 55 -2,-0.6 11,-1.1 -8,-0.4 12,-0.2 -0.772 22.0 168.7 -92.8 94.9 51.9 -7.6 33.8 81 81 A D + 0 0 48 -2,-1.1 170,-3.2 169,-0.1 2,-1.5 0.806 50.3 92.3 -76.3 -32.5 48.3 -8.5 33.0 82 82 A A B S-n 251 0E 42 168,-0.2 2,-0.4 170,-0.1 170,-0.1 -0.493 70.5-153.8 -70.7 89.2 47.7 -11.1 35.7 83 83 A Y + 0 0 8 168,-2.0 171,-0.4 -2,-1.5 2,-0.3 -0.547 30.2 149.5 -71.7 124.7 46.3 -8.9 38.4 84 84 A N > - 0 0 32 -2,-0.4 3,-1.3 5,-0.1 171,-0.1 -0.955 46.5-137.5-155.2 133.4 46.8 -10.2 42.0 85 85 A L T 3 S+ 0 0 61 -2,-0.3 170,-0.1 169,-0.3 5,-0.1 0.537 102.8 65.9 -73.0 -6.2 47.2 -8.1 45.1 86 86 A E T 3 S+ 0 0 159 3,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.577 80.2 102.6 -88.6 -14.5 50.1 -10.4 46.3 87 87 A N S < S- 0 0 57 -3,-1.3 3,-0.1 1,-0.1 -43,-0.1 -0.422 74.3-135.3 -70.8 146.1 52.3 -9.2 43.3 88 88 A A S S+ 0 0 33 1,-0.2 -47,-2.6 -2,-0.1 2,-0.4 0.826 94.8 26.1 -69.0 -32.6 55.0 -6.7 44.1 89 89 A F B -E 40 0B 21 -49,-0.2 2,-0.4 -5,-0.0 -1,-0.2 -0.999 63.8-172.8-137.8 136.5 53.9 -4.8 40.9 90 90 A N - 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