==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-11 3T63 . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR V.M.PURPERO,J.D.LIPSCOMB . 1314 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 736 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 248 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 21 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 3 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 . 99 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 6 7 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 . 9 12 6 3 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 5 6 1 14 8 4 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 . 11 6 0 9 3 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 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 0 108 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.2 4.0 -28.1 -9.7 2 2 A I - 0 0 156 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.633 360.0-169.8 -74.8 121.7 6.4 -28.1 -12.6 3 3 A E - 0 0 165 -2,-0.5 2,-0.0 3,-0.0 -1,-0.0 -0.970 3.5-160.4-118.2 117.6 5.1 -25.6 -15.2 4 4 A L - 0 0 56 -2,-0.5 687,-0.2 1,-0.2 686,-0.1 -0.173 44.4 -66.1 -79.5 178.3 6.8 -25.6 -18.6 5 5 A L - 0 0 82 685,-2.0 -1,-0.2 684,-0.1 827,-0.2 -0.504 65.2-109.5 -59.2 136.2 6.8 -22.8 -21.2 6 6 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.453 32.2-108.2 -69.1 145.5 3.1 -22.6 -22.4 7 7 A E - 0 0 6 1,-0.1 823,-0.2 -2,-0.1 799,-0.1 -0.394 40.6 -96.0 -63.9 143.5 2.4 -23.8 -25.9 8 8 A T - 0 0 0 821,-2.7 -1,-0.1 1,-0.1 2,-0.1 -0.471 51.3-111.7 -55.2 129.3 1.6 -21.1 -28.5 9 9 A P - 0 0 0 0, 0.0 771,-0.3 0, 0.0 610,-0.1 -0.423 28.4-115.6 -72.5 144.1 -2.2 -21.0 -28.6 10 10 A S - 0 0 2 769,-0.1 2,-0.3 -2,-0.1 769,-0.3 -0.303 28.8-171.2 -65.3 154.6 -4.1 -22.1 -31.7 11 11 A Q - 0 0 2 767,-1.8 127,-0.1 608,-0.1 767,-0.1 -0.964 37.3 -80.4-139.2 160.0 -6.2 -19.8 -33.8 12 12 A T - 0 0 1 -2,-0.3 124,-0.2 1,-0.1 121,-0.2 -0.210 29.3-131.8 -55.2 146.1 -8.6 -20.5 -36.7 13 13 A A - 0 0 2 122,-0.5 3,-0.2 119,-0.4 120,-0.2 0.655 50.6-144.1 -74.7 -14.3 -7.0 -21.1 -40.1 14 14 A G > - 0 0 0 118,-0.4 3,-1.3 121,-0.2 119,-0.4 0.143 27.1 -65.5 78.5 170.7 -9.6 -18.6 -41.4 15 15 A P T 3 S+ 0 0 42 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.676 129.9 53.4 -72.6 -14.5 -11.5 -18.5 -44.7 16 16 A Y T >> + 0 0 35 -3,-0.2 3,-1.8 1,-0.2 4,-0.6 0.157 66.6 121.4-109.7 20.7 -8.4 -17.8 -46.7 17 17 A V H X> + 0 0 0 -3,-1.3 4,-2.2 1,-0.3 3,-1.0 0.807 66.9 65.6 -49.3 -35.5 -6.3 -20.8 -45.5 18 18 A H H 3> S+ 0 0 4 -3,-0.3 4,-2.3 1,-0.3 8,-0.4 0.829 89.4 63.8 -66.3 -27.6 -6.0 -22.1 -49.1 19 19 A I H <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.872 116.0 31.2 -65.8 -27.7 -4.0 -19.1 -50.2 20 20 A G H << S+ 0 0 1 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.783 138.3 17.6 -92.0 -33.0 -1.2 -20.2 -47.8 21 21 A L H < S+ 0 0 3 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.393 128.9 37.3-126.6 -4.4 -1.6 -24.0 -47.8 22 22 A A X + 0 0 3 -4,-2.3 4,-1.8 -5,-0.3 5,-0.2 -0.441 62.0 165.7-148.9 67.4 -3.7 -25.0 -50.8 23 23 A L T 4>S+ 0 0 11 1,-0.2 5,-2.2 2,-0.2 4,-0.4 0.895 77.0 45.5 -62.5 -46.9 -2.6 -22.8 -53.6 24 24 A E T >45S+ 0 0 134 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.886 113.3 51.5 -62.3 -41.1 -4.1 -24.7 -56.6 25 25 A A T 345S+ 0 0 32 1,-0.2 -1,-0.2 -7,-0.1 -2,-0.2 0.784 106.8 55.3 -64.2 -27.4 -7.4 -25.1 -54.6 26 26 A A T 3<5S- 0 0 11 -4,-1.8 688,-0.5 -8,-0.4 -1,-0.2 0.535 114.8-119.3 -79.1 -10.2 -7.3 -21.3 -54.0 27 27 A G T < 5S+ 0 0 67 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.708 73.6 126.6 73.8 21.1 -7.0 -20.7 -57.8 28 28 A N S - 0 0 79 47,-2.8 3,-2.3 -2,-0.4 47,-0.0 -0.556 46.0 -96.6 -80.9 161.9 2.5 -42.5 -57.5 42 42 A P T 3 S+ 0 0 117 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.800 123.4 62.4 -49.0 -32.8 1.5 -45.5 -59.7 43 43 A D T 3 S+ 0 0 109 2,-0.0 45,-0.1 45,-0.0 46,-0.1 0.328 77.0 113.8 -78.5 1.1 4.8 -47.2 -58.8 44 44 A A S < S- 0 0 6 -3,-2.3 4,-0.1 44,-0.3 -4,-0.1 -0.591 70.7-118.7 -74.4 135.4 4.0 -47.4 -55.0 45 45 A P S S+ 0 0 103 0, 0.0 30,-0.4 0, 0.0 2,-0.2 -0.379 72.1 48.0 -69.4 154.7 3.5 -50.9 -53.6 46 46 A G S S- 0 0 43 29,-0.1 2,-0.7 28,-0.1 28,-0.0 -0.497 100.2 -38.3 110.3 179.8 0.1 -51.7 -52.1 47 47 A E - 0 0 141 63,-0.3 63,-2.1 -2,-0.2 2,-0.3 -0.752 59.3-135.7 -85.2 112.6 -3.6 -51.4 -53.0 48 48 A H E +B 109 0A 48 -2,-0.7 133,-0.4 61,-0.2 2,-0.3 -0.509 32.0 177.8 -71.5 130.7 -4.1 -48.1 -54.7 49 49 A I E -B 108 0A 1 59,-2.8 59,-2.6 -2,-0.3 2,-0.4 -0.970 29.0-137.9-138.6 148.1 -7.2 -46.3 -53.5 50 50 A L E -Bc 107 182A 20 131,-2.1 133,-2.0 -2,-0.3 2,-0.4 -0.905 20.5-163.8 -99.4 131.8 -9.2 -43.1 -53.9 51 51 A L E +Bc 106 183A 0 55,-2.7 55,-2.3 -2,-0.4 2,-0.3 -0.946 15.6 165.9-113.6 142.8 -10.5 -41.4 -50.8 52 52 A L E +Bc 105 184A 12 131,-2.1 133,-3.0 -2,-0.4 2,-0.3 -0.986 0.8 153.4-150.9 156.9 -13.2 -38.7 -50.9 53 53 A G E -B 104 0A 0 51,-1.6 51,-1.8 -2,-0.3 2,-0.3 -0.986 29.9-127.3-173.7 166.2 -15.5 -36.9 -48.6 54 54 A Q - 0 0 41 -2,-0.3 133,-2.4 49,-0.2 2,-0.4 -0.881 21.2-138.2-122.4 158.0 -17.7 -34.0 -47.7 55 55 A V E -f 187 0C 0 47,-0.5 8,-3.1 8,-0.4 2,-0.4 -0.964 18.3-165.3-122.6 132.3 -17.7 -32.0 -44.5 56 56 A Y E -fG 188 62C 46 131,-2.7 133,-2.7 -2,-0.4 134,-0.3 -0.922 10.2-139.3-123.0 144.0 -20.8 -30.7 -42.8 57 57 A D > - 0 0 15 4,-2.6 3,-1.9 -2,-0.4 576,-0.2 -0.197 44.9 -84.3 -88.4-176.6 -21.6 -28.2 -40.1 58 58 A G T 3 S+ 0 0 23 574,-2.6 134,-0.2 1,-0.3 575,-0.1 0.596 128.3 55.3 -70.8 -11.4 -24.1 -28.5 -37.2 59 59 A N T 3 S- 0 0 59 573,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.306 121.0-106.0 -97.7 5.7 -26.9 -27.3 -39.4 60 60 A G S < S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.616 75.9 138.0 81.6 13.5 -26.2 -30.0 -42.0 61 61 A H - 0 0 21 1,-0.1 -4,-2.6 303,-0.0 -1,-0.3 -0.686 59.0 -98.1 -97.7 146.7 -24.7 -27.6 -44.5 62 62 A L B -G 56 0C 60 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.2 -0.279 24.0-136.2 -61.0 138.6 -21.6 -28.2 -46.5 63 63 A V + 0 0 0 -8,-3.1 3,-0.4 39,-0.2 -8,-0.4 -0.897 25.2 179.2 -94.0 111.0 -18.3 -26.7 -45.3 64 64 A R S S+ 0 0 107 -2,-0.7 37,-0.1 1,-0.2 36,-0.1 0.052 70.6 51.1-106.6 22.9 -16.8 -25.3 -48.5 65 65 A D S S+ 0 0 7 33,-0.2 68,-0.4 68,-0.1 -1,-0.2 0.066 75.9 135.8-146.7 24.7 -13.6 -23.9 -47.1 66 66 A S - 0 0 0 -3,-0.4 31,-1.8 66,-0.1 2,-0.4 -0.347 36.5-156.3 -81.1 158.6 -12.1 -26.7 -45.2 67 67 A F E -HI 96 131D 0 64,-2.7 64,-2.9 29,-0.2 2,-0.4 -0.997 10.5-165.6-134.6 130.7 -8.5 -27.8 -45.2 68 68 A L E -HI 95 130D 0 27,-2.7 27,-2.3 -2,-0.4 2,-0.4 -0.947 8.8-164.9-123.6 136.1 -7.4 -31.4 -44.3 69 69 A E E -HI 94 129D 6 60,-2.5 60,-2.5 -2,-0.4 2,-0.3 -0.964 14.5-164.0-115.6 137.3 -4.0 -32.8 -43.4 70 70 A V E -HI 93 128D 1 23,-2.7 23,-2.0 -2,-0.4 2,-0.4 -0.923 12.9-174.8-125.5 149.6 -3.5 -36.6 -43.5 71 71 A W E +HI 92 127D 3 56,-2.0 56,-2.8 -2,-0.3 2,-0.3 -0.980 19.2 157.6-144.3 123.1 -0.8 -38.9 -42.1 72 72 A Q E - I 0 126D 0 19,-2.2 8,-0.5 -2,-0.4 54,-0.1 -0.981 38.6-104.8-146.9 155.4 -0.8 -42.7 -42.8 73 73 A A - 0 0 1 52,-0.5 6,-0.2 -2,-0.3 17,-0.1 -0.367 39.6-110.2 -71.8 158.5 1.5 -45.7 -42.9 74 74 A D > - 0 0 21 4,-3.0 38,-2.8 37,-0.2 3,-1.9 -0.108 50.5 -79.2 -70.7-175.5 2.6 -47.2 -46.1 75 75 A A T 3 S+ 0 0 36 -30,-0.4 38,-0.2 1,-0.3 -29,-0.1 0.731 133.1 56.4 -65.9 -20.9 1.3 -50.6 -47.2 76 76 A N T 3 S- 0 0 135 2,-0.2 -1,-0.3 36,-0.2 3,-0.1 0.442 120.8-106.5 -83.0 -6.0 3.8 -52.4 -44.8 77 77 A G S < S+ 0 0 14 -3,-1.9 2,-0.4 1,-0.3 38,-0.2 0.812 79.2 130.8 79.3 30.1 2.4 -50.4 -41.8 78 78 A E - 0 0 89 36,-0.1 -4,-3.0 -6,-0.0 2,-0.4 -0.952 56.1-129.0-116.7 139.1 5.5 -48.1 -41.6 79 79 A Y - 0 0 2 -2,-0.4 526,-2.5 526,-0.4 2,-0.8 -0.717 15.6-152.5 -87.9 130.3 5.4 -44.4 -41.4 80 80 A Q + 0 0 54 -8,-0.5 11,-1.1 -2,-0.4 12,-0.2 -0.872 20.9 170.1-107.6 102.3 7.5 -42.6 -43.9 81 81 A D + 0 0 53 -2,-0.8 572,-2.9 571,-0.1 2,-1.7 0.582 50.3 97.1 -89.2 -10.6 8.6 -39.2 -42.6 82 82 A A B -m 653 0E 63 570,-0.2 2,-0.3 572,-0.1 572,-0.1 -0.567 68.1-156.0 -83.0 85.9 11.2 -38.3 -45.2 83 83 A Y + 0 0 10 -2,-1.7 573,-0.4 570,-1.7 2,-0.3 -0.444 27.6 150.4 -71.3 126.4 8.9 -36.1 -47.3 84 84 A N > - 0 0 31 -2,-0.3 3,-1.8 5,-0.1 573,-0.1 -0.931 48.0-139.3-158.4 129.6 10.0 -35.8 -51.0 85 85 A L T 3 S+ 0 0 51 -2,-0.3 -1,-0.1 571,-0.3 572,-0.1 0.683 105.2 63.3 -63.2 -16.6 8.0 -35.2 -54.2 86 86 A E T 3 S+ 0 0 161 -3,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.619 82.1 105.2 -78.6 -17.3 10.4 -37.7 -55.9 87 87 A N S < S- 0 0 52 -3,-1.8 3,-0.1 1,-0.1 -46,-0.1 -0.411 71.0-140.5 -66.7 139.6 9.1 -40.5 -53.6 88 88 A A S S+ 0 0 31 1,-0.2 -47,-2.8 -45,-0.1 2,-0.4 0.791 93.8 25.5 -64.6 -26.8 6.7 -43.1 -54.9 89 89 A F B -E 40 0B 23 -49,-0.2 2,-0.4 -46,-0.1 -49,-0.2 -0.997 62.9-175.2-141.5 136.4 5.0 -42.8 -51.6 90 90 A N - 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