==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-APR-10 3MI1 . 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) . 52901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 730 55.6 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 . 244 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 . 21 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 103 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 5.0 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 8 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 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 2 15 7 3 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 . 13 6 2 7 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,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.8 4.0 -28.2 -9.7 2 2 A I - 0 0 153 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.619 360.0-167.4 -75.3 123.4 6.5 -28.0 -12.6 3 3 A E - 0 0 154 -2,-0.4 2,-0.1 3,-0.0 -1,-0.0 -0.971 2.7-163.1-115.3 118.3 5.2 -25.5 -15.2 4 4 A L - 0 0 57 -2,-0.5 285,-0.2 1,-0.2 284,-0.1 -0.223 44.0 -66.6 -85.0 179.6 6.9 -25.5 -18.6 5 5 A L - 0 0 80 283,-1.9 -1,-0.2 282,-0.1 425,-0.2 -0.525 64.6-108.4 -59.6 137.9 6.8 -22.8 -21.2 6 6 A P - 0 0 53 0, 0.0 421,-0.1 0, 0.0 -1,-0.1 -0.435 32.1-109.0 -70.1 145.0 3.2 -22.5 -22.4 7 7 A E - 0 0 6 -2,-0.1 421,-0.2 1,-0.1 397,-0.1 -0.404 40.3 -97.1 -69.0 148.0 2.5 -23.8 -26.0 8 8 A T - 0 0 0 419,-2.6 2,-0.1 1,-0.1 -1,-0.1 -0.498 50.8-114.0 -60.9 128.1 1.7 -21.0 -28.5 9 9 A P - 0 0 0 0, 0.0 369,-0.3 0, 0.0 208,-0.1 -0.434 27.2-115.9 -74.4 147.7 -2.1 -21.0 -28.6 10 10 A S - 0 0 3 367,-0.1 2,-0.3 -2,-0.1 367,-0.3 -0.311 28.0-171.3 -71.1 157.3 -4.0 -22.0 -31.8 11 11 A Q - 0 0 2 365,-1.7 127,-0.1 124,-0.1 365,-0.1 -0.959 38.4 -79.2-140.2 160.9 -6.2 -19.7 -33.9 12 12 A T - 0 0 1 -2,-0.3 121,-0.2 1,-0.1 124,-0.2 -0.247 30.7-130.9 -57.5 144.4 -8.6 -20.5 -36.8 13 13 A A - 0 0 2 122,-0.5 3,-0.2 119,-0.5 120,-0.2 0.684 49.9-144.4 -70.0 -16.5 -6.9 -21.1 -40.2 14 14 A G > - 0 0 0 118,-0.3 3,-1.5 121,-0.2 119,-0.3 0.132 27.6 -63.1 74.0 169.6 -9.5 -18.6 -41.6 15 15 A P T 3 S+ 0 0 43 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.680 130.4 51.9 -64.6 -19.4 -11.4 -18.4 -44.9 16 16 A Y T >> + 0 0 28 -3,-0.2 3,-1.7 1,-0.2 4,-0.7 0.163 65.7 122.4-110.1 20.9 -8.3 -17.9 -46.9 17 17 A V H X> + 0 0 0 -3,-1.5 4,-2.3 1,-0.3 3,-0.8 0.811 69.0 65.5 -46.1 -36.0 -6.2 -20.9 -45.6 18 18 A H H 3> S+ 0 0 6 -3,-0.3 4,-2.3 1,-0.2 8,-0.4 0.838 89.3 63.2 -64.2 -31.2 -5.9 -22.2 -49.2 19 19 A I H <4 S+ 0 0 1 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.8 30.5 -62.0 -30.4 -3.9 -19.2 -50.4 20 20 A G H << S+ 0 0 1 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.781 137.6 19.3 -93.4 -32.0 -1.1 -20.3 -47.9 21 21 A L H < S+ 0 0 3 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.399 128.6 35.6-127.1 -2.2 -1.5 -24.1 -47.8 22 22 A A X + 0 0 3 -4,-2.3 4,-1.9 -5,-0.3 5,-0.2 -0.463 63.3 168.5-153.5 66.4 -3.5 -25.2 -50.9 23 23 A L T 4>S+ 0 0 11 1,-0.2 5,-2.2 2,-0.2 4,-0.4 0.894 77.0 46.1 -59.3 -47.8 -2.4 -22.9 -53.7 24 24 A E T >45S+ 0 0 133 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.912 112.4 52.1 -59.4 -44.6 -3.9 -24.8 -56.6 25 25 A A T 345S+ 0 0 31 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.802 105.4 56.1 -61.8 -29.6 -7.2 -25.2 -54.7 26 26 A A T 3<5S- 0 0 9 -4,-1.9 286,-0.4 -8,-0.4 -1,-0.3 0.537 115.8-117.2 -75.4 -9.6 -7.1 -21.4 -54.1 27 27 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.701 74.9 127.2 74.0 22.1 -6.9 -20.8 -57.9 28 28 A N < - 0 0 39 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.712 69.8 -83.1-108.3 160.0 -3.5 -19.2 -57.5 29 29 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.290 47.1-133.8 -61.2 143.7 -0.2 -20.0 -59.2 30 30 A T - 0 0 81 1,-0.1 2,-0.1 -7,-0.1 4,-0.1 -0.571 8.9-121.8 -95.4 161.8 1.8 -22.8 -57.6 31 31 A R - 0 0 41 -2,-0.2 3,-0.1 2,-0.1 -1,-0.1 -0.375 41.9 -91.9 -88.6 175.6 5.5 -23.1 -56.8 32 32 A D S S+ 0 0 170 1,-0.2 2,-0.5 -2,-0.1 225,-0.1 0.880 115.0 33.2 -59.6 -39.9 7.8 -25.7 -58.2 33 33 A Q S S+ 0 0 51 223,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.983 71.4 174.0-122.3 126.7 7.1 -28.1 -55.3 34 34 A E - 0 0 36 -2,-0.5 2,-0.7 -3,-0.1 -13,-0.0 -0.962 32.5-126.8-129.3 146.3 3.8 -28.3 -53.4 35 35 A I + 0 0 5 -2,-0.3 2,-0.1 58,-0.1 58,-0.1 -0.823 54.8 144.6 -88.7 114.0 2.5 -30.7 -50.7 36 36 A W - 0 0 54 -2,-0.7 58,-1.5 2,-0.2 59,-0.1 -0.399 56.7 -61.8-140.4-149.9 -0.8 -32.0 -52.0 37 37 A N S S+ 0 0 13 56,-0.2 70,-3.0 -2,-0.1 2,-0.8 0.294 93.3 89.6 -99.1 6.8 -3.2 -34.9 -52.3 38 38 A R B +a 107 0A 166 68,-0.2 -2,-0.2 1,-0.2 70,-0.2 -0.805 38.9 163.7-105.2 91.6 -1.2 -37.6 -54.2 39 39 A L + 0 0 4 68,-1.9 51,-2.4 -2,-0.8 2,-0.5 0.802 66.4 47.5 -72.7 -30.1 0.5 -39.7 -51.5 40 40 A A B -E 89 0B 9 67,-1.5 49,-0.2 49,-0.2 -1,-0.1 -0.958 67.9-149.7-123.9 128.8 1.2 -42.5 -54.0 41 41 A K > - 0 0 94 47,-3.1 3,-1.9 -2,-0.5 47,-0.0 -0.529 45.3 -96.5 -77.6 159.9 2.7 -42.6 -57.5 42 42 A P T 3 S+ 0 0 119 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.776 123.3 55.7 -48.5 -34.5 1.4 -45.4 -59.7 43 43 A D T 3 S+ 0 0 146 2,-0.0 46,-0.1 45,-0.0 45,-0.1 0.692 77.5 119.0 -73.1 -23.4 4.5 -47.6 -58.9 44 44 A A S < S- 0 0 4 -3,-1.9 4,-0.1 44,-0.4 2,-0.1 -0.088 70.1-112.6 -50.3 138.4 4.0 -47.5 -55.1 45 45 A P S S+ 0 0 104 0, 0.0 30,-0.4 0, 0.0 2,-0.2 -0.401 75.0 47.4 -68.9 152.0 3.6 -50.9 -53.6 46 46 A G S S- 0 0 43 -2,-0.1 2,-0.7 29,-0.1 28,-0.0 -0.548 100.2 -38.9 113.2-179.7 0.2 -51.8 -52.1 47 47 A E - 0 0 132 63,-0.3 63,-2.1 -2,-0.2 2,-0.3 -0.759 58.9-136.0 -86.7 113.1 -3.5 -51.5 -52.9 48 48 A H E +B 109 0A 55 -2,-0.7 133,-0.4 61,-0.2 2,-0.3 -0.549 32.2 177.2 -73.1 127.7 -4.1 -48.2 -54.7 49 49 A I E -B 108 0A 2 59,-2.5 59,-2.5 -2,-0.3 2,-0.5 -0.954 29.1-137.1-135.6 149.6 -7.2 -46.4 -53.5 50 50 A L E -Bc 107 182A 21 131,-2.1 133,-2.1 -2,-0.3 2,-0.4 -0.910 20.3-164.1 -99.0 131.9 -9.1 -43.2 -53.9 51 51 A L E +Bc 106 183A 0 55,-2.7 55,-2.4 -2,-0.5 2,-0.3 -0.943 15.5 165.7-113.8 143.1 -10.4 -41.5 -50.8 52 52 A L E +Bc 105 184A 12 131,-2.0 133,-2.9 -2,-0.4 2,-0.3 -0.981 0.7 153.8-151.2 158.6 -13.1 -38.8 -51.0 53 53 A G E -B 104 0A 0 51,-1.6 51,-1.8 -2,-0.3 2,-0.3 -0.984 30.2-126.9-176.3 165.1 -15.5 -37.0 -48.7 54 54 A Q - 0 0 41 -2,-0.3 133,-2.4 49,-0.2 2,-0.4 -0.894 20.9-138.4-122.8 154.7 -17.6 -34.0 -47.8 55 55 A V E -f 187 0C 0 47,-0.5 8,-3.0 8,-0.4 2,-0.4 -0.956 19.0-166.1-119.0 132.2 -17.5 -32.0 -44.6 56 56 A Y E -fG 188 62C 45 131,-2.9 133,-2.9 -2,-0.4 134,-0.3 -0.925 10.4-139.2-122.2 146.1 -20.8 -30.7 -42.9 57 57 A D > - 0 0 16 4,-2.8 3,-1.9 -2,-0.4 174,-0.2 -0.221 44.2 -84.5 -88.9-176.5 -21.5 -28.2 -40.2 58 58 A G T 3 S+ 0 0 22 172,-2.7 134,-0.2 1,-0.3 173,-0.1 0.598 128.2 55.5 -71.8 -11.7 -24.0 -28.5 -37.3 59 59 A N T 3 S- 0 0 58 171,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.299 121.2-106.6 -96.0 5.5 -26.9 -27.3 -39.5 60 60 A G S < S+ 0 0 51 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.640 75.6 139.5 80.5 14.9 -26.1 -30.0 -42.0 61 61 A H - 0 0 22 1,-0.1 -4,-2.8 542,-0.0 -1,-0.3 -0.704 58.5 -99.0 -96.6 146.5 -24.6 -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 -0.276 25.3-134.9 -62.3 139.6 -21.5 -28.2 -46.7 63 63 A V - 0 0 0 -8,-3.0 -8,-0.4 39,-0.2 3,-0.4 -0.899 24.9-180.0 -95.3 113.1 -18.2 -26.7 -45.5 64 64 A R S S+ 0 0 108 -2,-0.7 37,-0.1 1,-0.2 36,-0.1 0.062 70.9 49.7-107.0 22.9 -16.8 -25.2 -48.6 65 65 A D S S+ 0 0 9 33,-0.2 68,-0.4 68,-0.1 -48,-0.2 0.055 75.8 134.7-148.9 26.6 -13.5 -23.8 -47.2 66 66 A S - 0 0 0 -3,-0.4 31,-1.9 66,-0.1 2,-0.4 -0.412 37.4-154.9 -85.5 160.4 -11.9 -26.7 -45.2 67 67 A F E -HI 96 131D 0 64,-2.7 64,-2.8 29,-0.2 2,-0.4 -1.000 11.7-166.1-135.0 128.7 -8.3 -27.8 -45.2 68 68 A L E -HI 95 130D 0 27,-2.7 27,-2.2 -2,-0.4 2,-0.4 -0.957 8.3-165.2-123.6 134.9 -7.3 -31.4 -44.3 69 69 A E E -HI 94 129D 8 60,-2.5 60,-2.4 -2,-0.4 2,-0.3 -0.961 13.2-164.1-115.4 138.9 -3.9 -32.9 -43.5 70 70 A V E -HI 93 128D 1 23,-2.6 23,-1.9 -2,-0.4 2,-0.4 -0.919 12.6-174.8-126.9 150.4 -3.5 -36.6 -43.5 71 71 A W E +HI 92 127D 2 56,-2.0 56,-2.7 -2,-0.3 2,-0.3 -0.976 19.3 157.7-145.0 123.0 -0.8 -39.0 -42.1 72 72 A Q E - I 0 126D 2 19,-2.3 8,-0.5 -2,-0.4 54,-0.1 -0.971 38.6-103.7-146.8 158.4 -0.8 -42.7 -42.7 73 73 A A - 0 0 0 52,-0.5 6,-0.2 -2,-0.3 17,-0.1 -0.393 39.4-109.6 -75.0 158.9 1.5 -45.8 -42.8 74 74 A D > - 0 0 21 4,-2.9 38,-2.7 37,-0.2 3,-2.0 -0.106 51.0 -79.9 -71.0-175.5 2.7 -47.3 -46.1 75 75 A A T 3 S+ 0 0 36 -30,-0.4 38,-0.2 1,-0.3 -29,-0.1 0.734 133.0 57.5 -66.8 -20.8 1.3 -50.7 -47.1 76 76 A N T 3 S- 0 0 134 2,-0.2 -1,-0.3 36,-0.2 3,-0.1 0.464 120.6-106.5 -80.8 -5.7 3.8 -52.4 -44.6 77 77 A G S < S+ 0 0 13 -3,-2.0 2,-0.4 1,-0.3 38,-0.2 0.786 79.7 131.2 79.2 29.5 2.4 -50.5 -41.7 78 78 A E - 0 0 92 36,-0.1 -4,-2.9 -4,-0.1 2,-0.4 -0.950 55.5-131.3-116.0 136.6 5.5 -48.2 -41.5 79 79 A Y - 0 0 2 -2,-0.4 124,-2.5 124,-0.4 2,-0.7 -0.690 15.3-152.7 -85.6 134.4 5.4 -44.4 -41.4 80 80 A Q + 0 0 53 -8,-0.5 11,-1.0 -2,-0.4 12,-0.2 -0.893 19.4 172.5-111.2 102.5 7.6 -42.6 -43.9 81 81 A D + 0 0 58 -2,-0.7 170,-3.0 169,-0.1 2,-1.8 0.625 51.0 97.1 -87.7 -10.2 8.7 -39.3 -42.5 82 82 A A B -m 251 0E 61 168,-0.2 2,-0.2 170,-0.1 170,-0.1 -0.536 67.7-155.6 -83.2 83.1 11.2 -38.3 -45.2 83 83 A Y + 0 0 8 -2,-1.8 171,-0.4 168,-1.7 2,-0.3 -0.395 27.9 151.6 -67.6 125.4 8.9 -36.2 -47.4 84 84 A N > - 0 0 33 -2,-0.2 3,-1.9 5,-0.1 171,-0.1 -0.933 47.4-141.8-157.7 128.1 10.0 -35.9 -51.0 85 85 A L T 3 S+ 0 0 51 -2,-0.3 -1,-0.1 1,-0.3 170,-0.1 0.652 104.5 64.5 -66.1 -12.4 8.1 -35.4 -54.2 86 86 A E T 3 S+ 0 0 162 3,-0.0 -1,-0.3 -3,-0.0 2,-0.1 0.631 82.5 104.1 -80.4 -16.4 10.5 -37.9 -55.8 87 87 A N S < S- 0 0 54 -3,-1.9 3,-0.1 1,-0.1 -43,-0.1 -0.395 71.1-141.1 -69.1 141.2 9.2 -40.7 -53.6 88 88 A A S S+ 0 0 39 1,-0.2 -47,-3.1 -48,-0.1 -44,-0.4 0.814 94.5 25.7 -64.8 -31.3 6.8 -43.3 -54.9 89 89 A F B -E 40 0B 24 -49,-0.2 2,-0.4 -46,-0.1 -49,-0.2 -0.998 63.7-174.4-137.5 135.1 5.0 -43.0 -51.6 90 90 A N - 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