==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAY-10 3MV4 . 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) . 52772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 729 55.5 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 . 242 18.4 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 . 100 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 11.9 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 8 7 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 17 5 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 . 14 6 3 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 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 0 107 0, 0.0 2,-0.5 0, 0.0 1265,-0.0 0.000 360.0 360.0 360.0 169.2 4.0 -28.2 -9.7 2 2 A I - 0 0 154 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.610 360.0-166.0 -71.6 122.6 6.5 -28.1 -12.6 3 3 A E - 0 0 155 -2,-0.5 2,-0.1 3,-0.0 -1,-0.0 -0.949 2.4-161.5-112.4 118.1 5.3 -25.5 -15.2 4 4 A L - 0 0 53 -2,-0.5 687,-0.2 1,-0.2 686,-0.1 -0.269 43.8 -68.2 -83.4 179.2 6.9 -25.6 -18.6 5 5 A L - 0 0 82 685,-2.1 -1,-0.2 684,-0.1 827,-0.2 -0.508 64.1-109.8 -60.2 136.5 6.8 -22.9 -21.2 6 6 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 823,-0.1 -0.492 32.1-108.9 -70.8 143.3 3.2 -22.6 -22.4 7 7 A E - 0 0 5 -2,-0.1 823,-0.2 1,-0.1 799,-0.1 -0.375 39.9 -96.6 -63.1 143.8 2.5 -23.8 -26.0 8 8 A T - 0 0 0 821,-2.7 -1,-0.1 1,-0.1 2,-0.1 -0.484 51.1-111.8 -55.2 130.7 1.6 -21.0 -28.5 9 9 A P - 0 0 0 0, 0.0 771,-0.3 0, 0.0 610,-0.1 -0.420 27.9-116.1 -74.5 145.1 -2.2 -20.9 -28.6 10 10 A S - 0 0 2 769,-0.1 2,-0.3 -2,-0.1 769,-0.3 -0.308 28.5-171.8 -67.5 155.5 -4.1 -22.0 -31.7 11 11 A Q - 0 0 2 767,-1.8 127,-0.1 608,-0.1 767,-0.1 -0.967 37.5 -80.7-139.5 160.0 -6.2 -19.7 -33.8 12 12 A T - 0 0 1 -2,-0.3 124,-0.2 1,-0.1 121,-0.2 -0.211 29.8-131.3 -55.2 145.7 -8.5 -20.5 -36.7 13 13 A A - 0 0 2 122,-0.5 3,-0.2 119,-0.4 120,-0.2 0.656 50.4-144.0 -73.5 -14.7 -6.9 -21.0 -40.1 14 14 A G > - 0 0 0 118,-0.4 3,-1.3 121,-0.2 119,-0.4 0.153 27.6 -62.9 79.0 172.8 -9.5 -18.5 -41.4 15 15 A P T 3 S+ 0 0 44 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.692 130.0 52.0 -71.2 -16.0 -11.5 -18.3 -44.7 16 16 A Y T >> + 0 0 29 -3,-0.2 3,-1.7 1,-0.2 4,-0.6 0.114 65.9 122.6-111.3 20.1 -8.3 -17.8 -46.8 17 17 A V H X> + 0 0 0 -3,-1.3 4,-2.2 1,-0.3 3,-1.0 0.807 67.5 66.1 -47.2 -35.2 -6.3 -20.8 -45.6 18 18 A H H 3> S+ 0 0 5 -3,-0.3 4,-2.3 1,-0.3 8,-0.4 0.837 89.2 63.4 -65.6 -30.1 -6.0 -22.0 -49.2 19 19 A I H <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.869 116.3 30.6 -63.7 -28.4 -3.9 -19.1 -50.3 20 20 A G H << S+ 0 0 1 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.779 138.0 19.3 -92.5 -32.4 -1.2 -20.2 -47.9 21 21 A L H < S+ 0 0 3 -4,-2.2 -3,-0.2 1,-0.1 -2,-0.2 0.400 128.9 35.2-125.7 -5.0 -1.6 -24.0 -47.8 22 22 A A X + 0 0 3 -4,-2.3 4,-1.7 -5,-0.3 5,-0.2 -0.433 62.6 166.9-151.2 66.2 -3.6 -25.1 -50.9 23 23 A L T 4>S+ 0 0 10 1,-0.2 5,-2.3 2,-0.2 3,-0.3 0.889 76.8 46.0 -61.2 -46.5 -2.5 -22.8 -53.7 24 24 A E T >45S+ 0 0 134 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.900 112.8 51.5 -60.5 -43.8 -4.1 -24.7 -56.6 25 25 A A T 345S+ 0 0 33 1,-0.3 -1,-0.2 -7,-0.1 -2,-0.2 0.790 106.2 55.8 -63.4 -27.8 -7.3 -25.1 -54.7 26 26 A A T 3<5S- 0 0 9 -4,-1.7 688,-0.5 -8,-0.4 -1,-0.3 0.472 116.1-117.7 -78.0 -8.2 -7.3 -21.3 -54.1 27 27 A G T < 5S+ 0 0 66 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.722 74.4 127.3 71.7 23.2 -7.1 -20.8 -57.9 28 28 A N < - 0 0 37 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.724 69.8 -81.8-108.2 160.7 -3.7 -19.1 -57.4 29 29 A P - 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.276 47.5-136.5 -60.8 143.0 -0.3 -19.8 -59.1 30 30 A T - 0 0 78 1,-0.1 2,-0.1 -7,-0.1 4,-0.1 -0.576 8.5-121.4 -95.8 163.0 1.7 -22.6 -57.6 31 31 A R - 0 0 42 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.377 41.8 -91.5 -90.6 177.3 5.4 -22.9 -56.8 32 32 A D S S+ 0 0 169 1,-0.2 2,-0.5 -2,-0.1 627,-0.1 0.920 114.9 34.1 -59.0 -44.4 7.6 -25.6 -58.3 33 33 A Q S S+ 0 0 46 625,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.966 71.1 175.1-119.0 127.2 7.0 -28.0 -55.4 34 34 A E - 0 0 38 -2,-0.5 2,-0.7 -3,-0.1 -13,-0.0 -0.969 32.1-127.5-128.8 144.7 3.7 -28.2 -53.5 35 35 A I + 0 0 5 -2,-0.3 2,-0.1 58,-0.1 58,-0.1 -0.806 55.5 143.3 -87.9 111.4 2.5 -30.6 -50.7 36 36 A W - 0 0 54 -2,-0.7 58,-1.4 56,-0.2 59,-0.1 -0.410 57.2 -62.2-139.8-147.6 -0.8 -31.9 -52.0 37 37 A N S S+ 0 0 15 56,-0.2 70,-3.0 -2,-0.1 2,-0.8 0.249 92.3 90.5-104.1 11.1 -3.2 -34.9 -52.4 38 38 A R B +a 107 0A 166 68,-0.2 70,-0.2 1,-0.2 -2,-0.2 -0.803 38.5 163.0-107.7 89.2 -1.3 -37.5 -54.3 39 39 A L + 0 0 3 68,-1.8 51,-2.1 -2,-0.8 2,-0.4 0.840 66.1 47.8 -72.7 -33.2 0.5 -39.6 -51.6 40 40 A A B -E 89 0B 8 67,-1.6 49,-0.2 49,-0.2 -1,-0.1 -0.934 66.4-153.9-117.2 131.7 1.2 -42.4 -54.0 41 41 A K > - 0 0 94 47,-3.1 3,-2.4 -2,-0.4 47,-0.0 -0.567 45.8 -96.9 -82.6 162.6 2.6 -42.5 -57.5 42 42 A P T 3 S+ 0 0 118 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.802 123.4 60.5 -51.3 -33.0 1.5 -45.4 -59.7 43 43 A D T 3 S+ 0 0 150 2,-0.0 45,-0.1 45,-0.0 46,-0.1 0.432 77.1 116.4 -76.1 -2.1 4.8 -47.3 -58.9 44 44 A A < - 0 0 6 -3,-2.4 4,-0.1 44,-0.3 2,-0.1 -0.483 69.9-118.8 -69.0 137.7 4.0 -47.3 -55.1 45 45 A P S S+ 0 0 103 0, 0.0 30,-0.4 0, 0.0 2,-0.2 -0.409 72.3 47.6 -69.9 154.0 3.5 -50.9 -53.7 46 46 A G S S- 0 0 43 29,-0.1 2,-0.7 28,-0.1 28,-0.0 -0.527 100.9 -38.8 111.6-177.6 0.1 -51.7 -52.2 47 47 A E - 0 0 138 63,-0.3 63,-2.2 -2,-0.2 2,-0.2 -0.767 59.2-136.0 -88.2 113.5 -3.5 -51.4 -53.1 48 48 A H E +B 109 0A 52 -2,-0.7 133,-0.3 61,-0.2 2,-0.3 -0.513 32.2 176.6 -72.4 132.6 -4.1 -48.0 -54.8 49 49 A I E -B 108 0A 1 59,-2.6 59,-2.6 -2,-0.2 2,-0.4 -0.962 29.4-136.3-139.5 151.1 -7.2 -46.3 -53.5 50 50 A L E -Bc 107 182A 19 131,-2.1 133,-2.1 -2,-0.3 2,-0.4 -0.918 19.5-164.2-101.2 131.7 -9.2 -43.0 -53.9 51 51 A L E +Bc 106 183A 0 55,-2.5 55,-2.4 -2,-0.4 2,-0.3 -0.944 16.3 165.0-111.7 142.4 -10.5 -41.4 -50.8 52 52 A L E +Bc 105 184A 14 131,-2.1 133,-2.7 -2,-0.4 2,-0.3 -0.989 0.5 150.6-151.4 157.5 -13.2 -38.7 -51.0 53 53 A G E -B 104 0A 0 51,-1.5 51,-1.8 -2,-0.3 2,-0.3 -0.990 31.4-123.6-175.1 167.9 -15.6 -36.9 -48.7 54 54 A Q - 0 0 41 -2,-0.3 133,-2.3 49,-0.2 2,-0.4 -0.880 20.8-138.3-124.4 157.5 -17.6 -33.9 -47.8 55 55 A V E -f 187 0C 0 47,-0.5 8,-3.2 8,-0.4 2,-0.4 -0.971 18.7-165.9-122.7 133.2 -17.6 -31.9 -44.5 56 56 A Y E -fG 188 62C 46 131,-2.6 133,-2.8 -2,-0.4 134,-0.3 -0.922 10.6-138.6-124.1 145.0 -20.8 -30.7 -42.9 57 57 A D > - 0 0 15 4,-2.7 3,-1.9 -2,-0.4 576,-0.2 -0.195 44.9 -83.6 -88.0-175.8 -21.5 -28.2 -40.1 58 58 A G T 3 S+ 0 0 22 574,-2.6 134,-0.2 1,-0.3 575,-0.1 0.586 128.3 55.0 -70.6 -12.5 -24.1 -28.5 -37.3 59 59 A N T 3 S- 0 0 58 573,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.285 121.1-105.9 -97.4 5.6 -26.9 -27.3 -39.5 60 60 A G S < S+ 0 0 50 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.609 75.9 138.8 81.3 14.0 -26.2 -30.0 -42.0 61 61 A H - 0 0 22 1,-0.1 -4,-2.7 303,-0.0 -1,-0.3 -0.674 58.6 -99.2 -96.1 145.8 -24.7 -27.6 -44.5 62 62 A L B -G 56 0C 59 -2,-0.3 2,-0.7 -6,-0.2 -6,-0.2 -0.297 24.1-136.0 -61.4 138.7 -21.6 -28.1 -46.6 63 63 A V + 0 0 0 -8,-3.2 3,-0.4 39,-0.2 -8,-0.4 -0.885 24.9 179.6 -94.4 113.3 -18.3 -26.7 -45.4 64 64 A R S S+ 0 0 106 -2,-0.7 37,-0.1 1,-0.2 36,-0.1 0.051 70.7 51.2-108.5 22.3 -16.8 -25.2 -48.6 65 65 A D S S+ 0 0 9 33,-0.2 68,-0.3 68,-0.1 -48,-0.2 0.106 75.8 135.2-145.6 26.3 -13.6 -23.8 -47.1 66 66 A S - 0 0 0 -3,-0.4 31,-1.7 66,-0.1 2,-0.4 -0.312 36.7-156.3 -82.0 161.1 -12.0 -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 -0.998 11.1-166.5-137.3 130.1 -8.4 -27.8 -45.2 68 68 A L E -HI 95 130D 0 27,-2.7 27,-2.4 -2,-0.4 2,-0.4 -0.958 9.0-164.3-125.4 136.7 -7.3 -31.3 -44.3 69 69 A E E -HI 94 129D 7 60,-2.4 60,-2.5 -2,-0.4 2,-0.3 -0.962 14.0-163.5-115.7 138.5 -4.0 -32.8 -43.5 70 70 A V E -HI 93 128D 1 23,-2.7 23,-1.9 -2,-0.4 2,-0.4 -0.922 12.7-174.8-125.7 151.3 -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 -0.978 19.5 156.8-145.3 123.1 -0.8 -38.9 -42.2 72 72 A Q E - I 0 126D 1 19,-2.3 8,-0.5 -2,-0.4 54,-0.1 -0.980 38.9-103.7-148.3 157.0 -0.8 -42.6 -42.8 73 73 A A - 0 0 1 52,-0.5 6,-0.2 -2,-0.3 17,-0.1 -0.378 39.3-110.3 -74.1 159.0 1.4 -45.7 -42.9 74 74 A D > - 0 0 21 4,-3.1 38,-2.9 37,-0.2 3,-1.9 -0.098 50.4 -79.5 -70.4-174.6 2.6 -47.2 -46.2 75 75 A A T 3 S+ 0 0 36 -30,-0.4 38,-0.2 1,-0.3 -29,-0.1 0.731 132.7 56.5 -66.8 -21.8 1.3 -50.6 -47.3 76 76 A N T 3 S- 0 0 135 2,-0.2 -1,-0.3 36,-0.2 3,-0.1 0.419 120.8-105.9 -82.3 -4.7 3.8 -52.3 -44.8 77 77 A G S < S+ 0 0 14 -3,-1.9 2,-0.4 1,-0.3 38,-0.2 0.807 79.6 130.5 79.4 28.9 2.4 -50.4 -41.8 78 78 A E - 0 0 88 36,-0.1 -4,-3.1 -6,-0.0 2,-0.4 -0.956 55.8-130.9-115.4 139.7 5.5 -48.1 -41.7 79 79 A Y - 0 0 2 -2,-0.4 526,-2.6 526,-0.3 2,-0.8 -0.715 15.5-152.0 -87.5 132.4 5.4 -44.3 -41.5 80 80 A Q + 0 0 54 -8,-0.5 11,-1.1 -2,-0.4 12,-0.2 -0.868 20.4 171.3-110.0 103.2 7.6 -42.6 -44.0 81 81 A D + 0 0 54 -2,-0.8 572,-2.9 571,-0.1 2,-1.7 0.584 51.0 96.5 -89.5 -10.3 8.7 -39.2 -42.6 82 82 A A B -m 653 0E 64 570,-0.2 2,-0.3 572,-0.1 572,-0.1 -0.573 68.0-156.6 -83.5 85.9 11.2 -38.3 -45.3 83 83 A Y + 0 0 10 570,-1.7 573,-0.4 -2,-1.7 2,-0.3 -0.451 27.0 150.9 -72.3 127.8 9.0 -36.1 -47.4 84 84 A N > - 0 0 32 -2,-0.3 3,-1.8 5,-0.1 573,-0.1 -0.933 47.7-139.0-158.3 131.1 10.0 -35.8 -51.0 85 85 A L T 3 S+ 0 0 49 -2,-0.3 -1,-0.1 571,-0.3 572,-0.1 0.676 105.4 63.6 -63.3 -17.0 8.1 -35.2 -54.2 86 86 A E T 3 S+ 0 0 155 -3,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.611 82.3 105.6 -79.4 -15.9 10.5 -37.7 -55.9 87 87 A N S < S- 0 0 54 -3,-1.8 3,-0.1 1,-0.1 -43,-0.1 -0.413 70.9-140.4 -69.0 140.7 9.2 -40.5 -53.6 88 88 A A S S+ 0 0 39 1,-0.2 -47,-3.1 -2,-0.1 2,-0.4 0.804 93.8 23.4 -64.8 -26.5 6.8 -43.1 -55.0 89 89 A F B -E 40 0B 24 -49,-0.2 2,-0.4 -46,-0.1 -49,-0.2 -0.996 63.2-174.0-142.0 136.4 5.0 -42.8 -51.6 90 90 A N - 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