==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-FEB-10 3LMX . COMPND 2 MOLECULE: PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR V.M.PURPERO,J.D.LIPSCOMB,K.SHI . 1314 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 57.4 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 . 3 0.2 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 . 3 0.2 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 . 163 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 5.5 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 11 6 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 2 14 5 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 . 12 6 1 8 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 0 113 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.9 4.0 -28.3 74.3 2 2 A I - 0 0 151 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.477 360.0-168.5 -67.5 126.6 6.3 -28.2 71.3 3 3 A E - 0 0 163 -2,-0.3 2,-0.1 3,-0.0 -1,-0.0 -0.986 2.8-166.1-117.9 126.8 5.2 -25.5 68.7 4 4 A L - 0 0 60 -2,-0.4 285,-0.2 1,-0.2 284,-0.1 -0.390 44.8 -64.6 -97.0 177.1 6.8 -25.5 65.3 5 5 A L - 0 0 77 283,-2.2 -1,-0.2 -2,-0.1 2,-0.2 -0.433 65.3-111.2 -53.8 137.6 6.8 -22.8 62.6 6 6 A P - 0 0 50 0, 0.0 421,-0.1 0, 0.0 -1,-0.1 -0.532 32.3-106.5 -75.9 144.6 3.1 -22.5 61.5 7 7 A E - 0 0 7 -2,-0.2 421,-0.2 1,-0.1 397,-0.1 -0.405 39.3 -99.2 -64.9 142.0 2.3 -23.8 58.0 8 8 A T - 0 0 0 419,-2.6 -1,-0.1 1,-0.1 421,-0.1 -0.488 52.2-112.1 -54.1 127.0 1.6 -21.0 55.4 9 9 A P - 0 0 0 0, 0.0 369,-0.3 0, 0.0 208,-0.1 -0.399 27.5-112.5 -73.7 148.3 -2.3 -20.9 55.4 10 10 A S - 0 0 2 367,-0.1 2,-0.3 208,-0.1 367,-0.3 -0.262 29.6-172.2 -68.5 157.4 -4.2 -22.0 52.3 11 11 A Q - 0 0 2 365,-1.6 127,-0.1 124,-0.1 365,-0.1 -0.961 38.6 -80.5-141.7 159.2 -6.3 -19.7 50.1 12 12 A T - 0 0 1 -2,-0.3 124,-0.2 1,-0.1 121,-0.2 -0.214 30.7-130.7 -56.0 146.4 -8.7 -20.5 47.2 13 13 A A - 0 0 2 119,-0.6 120,-0.2 122,-0.6 -1,-0.1 0.751 49.8-142.5 -66.7 -28.7 -7.1 -21.2 43.8 14 14 A G > - 0 0 3 118,-0.4 3,-1.3 121,-0.2 119,-0.2 0.062 22.7 -75.2 85.9 165.3 -9.6 -18.7 42.4 15 15 A P T 3 S+ 0 0 40 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.749 128.3 55.7 -74.8 -21.4 -11.5 -18.7 39.1 16 16 A Y T > + 0 0 29 1,-0.2 3,-2.5 -3,-0.1 4,-0.5 0.177 67.1 120.1 -98.5 16.7 -8.5 -17.6 37.1 17 17 A V T X> + 0 0 0 -3,-1.3 4,-2.2 1,-0.3 3,-0.5 0.790 64.1 71.3 -48.6 -30.9 -6.4 -20.6 38.3 18 18 A H H 3> S+ 0 0 0 -3,-0.5 4,-1.5 1,-0.2 8,-0.4 0.766 84.7 68.8 -61.1 -24.2 -6.1 -21.6 34.6 19 19 A I H <4 S+ 0 0 0 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.943 116.5 20.3 -59.7 -52.4 -3.8 -18.6 34.0 20 20 A G H <4 S+ 0 0 1 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.703 140.5 26.3 -88.7 -24.3 -0.9 -20.1 36.1 21 21 A L H < S+ 0 0 3 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.557 126.1 32.5-124.9 -12.8 -1.9 -23.8 36.1 22 22 A A X + 0 0 3 -4,-1.5 4,-1.4 -5,-0.4 -1,-0.2 -0.597 65.8 174.9-145.9 75.9 -4.0 -24.7 33.0 23 23 A L H >>S+ 0 0 8 1,-0.2 5,-1.8 2,-0.2 4,-0.7 0.861 75.9 46.6 -62.8 -46.9 -2.6 -22.4 30.3 24 24 A E H >45S+ 0 0 128 1,-0.2 3,-2.3 2,-0.2 -1,-0.2 0.966 110.3 53.7 -49.8 -60.2 -4.7 -23.7 27.3 25 25 A A H 345S+ 0 0 32 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.714 103.2 57.7 -57.2 -28.8 -8.0 -23.7 29.2 26 26 A A H 3<5S- 0 0 0 -4,-1.4 286,-1.4 -8,-0.4 -1,-0.3 0.766 118.9-111.2 -65.3 -29.5 -7.5 -20.0 30.2 27 27 A G T <<5S+ 0 0 41 -3,-2.3 -3,-0.2 -4,-0.7 -2,-0.2 0.480 78.7 123.1 102.2 10.1 -7.3 -19.1 26.5 28 28 A N < - 0 0 30 -5,-1.8 -1,-0.3 -10,-0.1 -2,-0.1 -0.567 69.4 -87.6-103.4 161.4 -3.6 -18.2 26.7 29 29 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.418 42.8-128.8 -64.2 142.3 -0.4 -19.5 24.9 30 30 A T - 0 0 70 -2,-0.1 2,-0.1 1,-0.1 4,-0.1 -0.650 14.6-122.5 -87.9 148.6 1.4 -22.5 26.4 31 31 A R - 0 0 44 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 -0.348 39.3 -95.0 -74.3 169.6 5.1 -22.8 27.2 32 32 A D S S+ 0 0 172 1,-0.2 2,-0.4 -2,-0.1 225,-0.1 0.797 114.0 41.5 -59.6 -30.3 7.2 -25.5 25.6 33 33 A Q S S+ 0 0 50 223,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.973 71.1 174.3-127.0 121.8 6.7 -27.8 28.6 34 34 A E - 0 0 37 -2,-0.4 2,-0.8 -4,-0.1 -13,-0.0 -0.967 32.5-130.5-131.1 137.9 3.4 -28.1 30.5 35 35 A I + 0 0 3 -2,-0.4 2,-0.1 58,-0.1 58,-0.1 -0.769 56.4 140.3 -84.1 112.1 2.2 -30.4 33.3 36 36 A W - 0 0 61 -2,-0.8 58,-1.7 2,-0.2 59,-0.1 -0.411 59.1 -60.0-142.6-152.7 -1.1 -31.8 32.0 37 37 A N S S+ 0 0 17 56,-0.2 70,-3.1 -2,-0.1 2,-0.7 0.247 92.4 89.9 -99.8 11.2 -3.5 -34.7 31.6 38 38 A R B +a 107 0A 158 68,-0.2 70,-0.2 1,-0.1 -2,-0.2 -0.859 36.3 163.4-107.3 97.1 -1.4 -37.4 29.8 39 39 A L + 0 0 4 68,-2.3 51,-2.8 -2,-0.7 2,-0.4 0.664 68.0 47.1 -82.0 -18.7 0.4 -39.5 32.4 40 40 A A B -E 89 0B 6 67,-1.2 49,-0.2 49,-0.2 -1,-0.1 -0.987 68.6-147.2-129.2 129.2 1.1 -42.3 29.8 41 41 A K > - 0 0 96 47,-2.9 3,-3.0 -2,-0.4 47,-0.0 -0.624 46.2 -98.2 -77.9 153.9 2.4 -42.3 26.3 42 42 A P T 3 S+ 0 0 117 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.773 124.2 58.0 -41.7 -31.5 1.0 -45.0 24.0 43 43 A D T 3 S+ 0 0 148 2,-0.0 45,-0.1 45,-0.0 46,-0.1 0.421 77.7 118.4 -82.0 -7.1 4.1 -47.1 24.7 44 44 A A < - 0 0 6 -3,-3.0 2,-0.1 44,-0.3 4,-0.1 -0.390 69.6-111.1 -63.6 142.2 3.8 -47.2 28.5 45 45 A P S S+ 0 0 103 0, 0.0 30,-0.4 0, 0.0 2,-0.1 -0.414 75.9 46.2 -67.8 149.9 3.3 -50.6 30.1 46 46 A G S S- 0 0 42 -2,-0.1 2,-0.5 29,-0.1 30,-0.0 -0.421 101.5 -41.8 108.2 176.7 -0.1 -51.5 31.7 47 47 A E - 0 0 81 63,-0.3 63,-2.1 -2,-0.1 2,-0.4 -0.704 60.2-134.8 -78.4 122.1 -3.7 -51.3 30.7 48 48 A H E +B 109 0A 50 -2,-0.5 133,-0.4 61,-0.2 2,-0.3 -0.656 31.5 179.6 -78.5 132.5 -4.3 -47.9 29.1 49 49 A I E -B 108 0A 0 59,-2.3 59,-2.1 -2,-0.4 2,-0.5 -0.944 27.9-136.9-137.1 151.1 -7.4 -46.1 30.4 50 50 A L E -Bc 107 182A 19 131,-2.3 133,-1.9 -2,-0.3 2,-0.4 -0.916 21.8-162.4-101.3 134.1 -9.4 -43.0 29.9 51 51 A L E +Bc 106 183A 0 55,-2.4 55,-1.9 -2,-0.5 2,-0.3 -0.952 15.6 164.9-114.8 141.5 -10.7 -41.2 33.0 52 52 A L E +Bc 105 184A 13 131,-2.1 133,-3.4 -2,-0.4 2,-0.3 -0.981 0.4 152.2-148.3 156.7 -13.4 -38.6 33.0 53 53 A G E -B 104 0A 0 51,-1.5 51,-2.1 -2,-0.3 2,-0.3 -0.977 29.6-128.6-170.6 166.2 -15.7 -36.9 35.4 54 54 A Q E -B 103 0A 32 -2,-0.3 133,-2.7 49,-0.2 2,-0.4 -0.847 19.9-134.3-119.8 163.9 -17.7 -33.9 36.3 55 55 A V E -f 187 0C 0 47,-0.6 8,-2.9 8,-0.3 2,-0.4 -0.983 19.1-162.9-121.3 125.9 -17.8 -31.9 39.6 56 56 A Y E -fG 188 62C 48 131,-3.0 133,-2.6 -2,-0.4 134,-0.4 -0.893 8.3-141.9-112.7 140.8 -21.0 -30.8 41.3 57 57 A D > - 0 0 15 4,-3.1 3,-1.8 -2,-0.4 174,-0.2 -0.172 45.3 -82.6 -80.1-177.1 -21.7 -28.1 43.9 58 58 A G T 3 S+ 0 0 23 172,-3.1 134,-0.2 1,-0.3 173,-0.1 0.638 129.4 54.4 -65.1 -14.6 -24.2 -28.4 46.8 59 59 A N T 3 S- 0 0 57 171,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.413 121.9-103.1 -98.4 0.9 -27.1 -27.3 44.5 60 60 A G S < S+ 0 0 49 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.648 78.7 136.6 87.7 18.7 -26.4 -30.1 41.9 61 61 A H - 0 0 19 1,-0.1 -4,-3.1 982,-0.0 -1,-0.3 -0.777 59.2 -99.3-106.9 147.7 -24.7 -27.6 39.6 62 62 A L B -G 56 0C 27 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.2 -0.257 19.8-140.1 -64.6 139.8 -21.6 -28.1 37.6 63 63 A V > + 0 0 0 -8,-2.9 3,-0.6 39,-0.2 -8,-0.3 -0.908 25.5 177.3 -95.2 104.9 -18.3 -26.6 38.8 64 64 A R T 3 S+ 0 0 97 -2,-0.8 38,-0.1 1,-0.2 -1,-0.1 0.510 71.2 53.1 -93.3 -3.7 -16.9 -25.4 35.5 65 65 A D T 3 S+ 0 0 13 68,-0.1 68,-0.4 34,-0.1 -1,-0.2 -0.032 78.0 129.7-118.4 29.1 -13.8 -23.8 36.9 66 66 A S < - 0 0 0 -3,-0.6 31,-1.9 66,-0.1 2,-0.4 -0.556 40.3-155.4 -93.1 156.4 -12.3 -26.7 38.9 67 67 A F E -HI 96 131D 0 64,-2.7 64,-3.3 29,-0.2 2,-0.4 -0.994 7.8-162.1-131.5 130.6 -8.7 -27.9 38.7 68 68 A L E -HI 95 130D 0 27,-2.7 27,-2.5 -2,-0.4 2,-0.4 -0.939 7.2-167.3-118.1 138.4 -7.6 -31.5 39.6 69 69 A E E -HI 94 129D 8 60,-2.1 60,-3.0 -2,-0.4 2,-0.3 -0.994 15.0-165.9-120.7 135.8 -4.1 -32.8 40.4 70 70 A V E -HI 93 128D 2 23,-2.2 23,-1.9 -2,-0.4 2,-0.3 -0.842 13.6-171.0-125.1 155.3 -3.6 -36.6 40.5 71 71 A W E +HI 92 127D 2 56,-1.9 56,-2.8 -2,-0.3 2,-0.3 -0.962 20.3 158.3-148.6 120.4 -0.9 -38.9 41.8 72 72 A Q E - I 0 126D 0 19,-2.2 8,-0.5 -2,-0.3 54,-0.1 -0.969 38.2-104.9-145.8 156.9 -0.9 -42.6 41.1 73 73 A A - 0 0 1 52,-0.5 6,-0.2 -2,-0.3 17,-0.1 -0.427 39.3-109.0 -74.1 156.8 1.4 -45.6 41.0 74 74 A D > - 0 0 21 4,-3.1 38,-3.1 37,-0.2 3,-1.9 -0.039 50.9 -79.8 -67.3-176.5 2.6 -47.1 37.7 75 75 A A T 3 S+ 0 0 35 -30,-0.4 38,-0.2 1,-0.3 -29,-0.1 0.695 132.7 56.9 -66.0 -19.6 1.2 -50.5 36.6 76 76 A N T 3 S- 0 0 132 2,-0.2 -1,-0.3 36,-0.2 3,-0.1 0.399 120.7-105.8 -89.0 -0.9 3.7 -52.2 39.0 77 77 A G S < S+ 0 0 14 -3,-1.9 2,-0.4 1,-0.3 38,-0.2 0.806 79.8 130.0 78.9 28.1 2.4 -50.4 42.0 78 78 A E - 0 0 93 36,-0.1 -4,-3.1 -6,-0.0 2,-0.4 -0.957 56.7-128.4-118.1 136.9 5.4 -48.0 42.2 79 79 A Y - 0 0 2 -2,-0.4 124,-2.3 124,-0.4 2,-0.8 -0.695 15.5-152.2 -82.5 130.1 5.3 -44.2 42.4 80 80 A Q + 0 0 52 -8,-0.5 11,-1.1 -2,-0.4 12,-0.3 -0.842 20.9 170.3-108.1 97.8 7.4 -42.4 39.8 81 81 A D + 0 0 57 -2,-0.8 170,-3.4 169,-0.1 2,-1.6 0.563 50.4 96.3 -82.9 -12.0 8.5 -39.1 41.2 82 82 A A B -m 251 0E 55 168,-0.2 2,-0.2 170,-0.1 170,-0.1 -0.636 69.1-154.3 -85.4 87.1 11.1 -38.1 38.5 83 83 A Y + 0 0 6 168,-2.1 171,-0.5 -2,-1.6 2,-0.3 -0.449 29.4 149.4 -71.7 129.4 8.8 -35.9 36.5 84 84 A N > - 0 0 30 -2,-0.2 3,-1.6 5,-0.1 171,-0.1 -0.937 47.8-141.9-163.5 129.0 9.8 -35.6 32.8 85 85 A L T 3 S+ 0 0 52 -2,-0.3 170,-0.1 1,-0.3 5,-0.1 0.552 104.7 64.3 -76.6 -3.6 7.8 -35.2 29.6 86 86 A E T 3 S+ 0 0 158 3,-0.1 -1,-0.3 -3,-0.0 2,-0.1 0.549 82.6 102.2 -84.7 -14.9 10.3 -37.6 28.0 87 87 A N S < S- 0 0 54 -3,-1.6 3,-0.1 1,-0.1 -43,-0.1 -0.440 72.4-140.2 -68.9 143.5 9.0 -40.4 30.3 88 88 A A S S+ 0 0 40 1,-0.2 -47,-2.9 -2,-0.1 2,-0.4 0.777 94.0 26.7 -63.6 -31.5 6.6 -43.0 28.9 89 89 A F B -E 40 0B 23 -49,-0.2 2,-0.4 -46,-0.1 -49,-0.2 -0.996 63.6-174.4-136.9 131.3 4.9 -42.7 32.3 90 90 A N - 0 0 7 -51,-2.8 -9,-0.1 -2,-0.4 -7,-0.1 -0.989 19.7-148.3-118.6 141.1 4.6 -40.0 34.9 91 91 A S S S+ 0 0 0 -11,-1.1 -19,-2.2 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2,-0.1 -2,-0.1 -37,-0.1 3,-0.1 0.701 90.7-131.5 -81.4 -26.3 -19.5 -29.4 29.3 102 102 A G < + 0 0 0 -4,-0.9 -47,-0.6 1,-0.3 2,-0.4 0.779 60.2 138.0 76.2 27.1 -17.7 -29.1 32.7 103 103 A E E - B 0 54A 58 -49,-0.1 -5,-1.4 -39,-0.1 2,-0.3 -0.885 38.1-161.6-113.7 136.1 -15.9 -32.4 32.1 104 104 A W E - B 0 53A 2 -51,-2.1 -51,-1.5 -2,-0.4 2,-0.3 -0.829 8.2-164.5-107.2 153.5 -12.2 -33.2 32.8 105 105 A T E - B 0 52A 44 -9,-0.3 2,-0.3 -2,-0.3 -53,-0.2 -0.950 6.8-168.3-132.8 156.9 -10.3 -36.1 31.2 106 106 A L E - B 0 51A 3 -55,-1.9 -55,-2.4 -2,-0.3 2,-0.6 -0.993 12.4-149.2-141.4 142.5 -7.0 -37.9 32.0 107 107 A H E +aB 38 50A 33 -70,-3.1 -68,-2.3 -2,-0.3 -67,-1.2 -0.967 46.6 119.9-115.6 117.1 -5.0 -40.4 29.8 108 108 A T E - B 0 49A 1 -59,-2.1 -59,-2.3 -2,-0.6 2,-0.3 -0.686 57.7 -93.2-152.5-170.3 -3.2 -42.9 32.0 109 109 A V E - B 0 48A 1 -61,-0.3 -61,-0.2 -2,-0.2 -63,-0.1 -0.935 48.5 -93.4-118.5 155.6 -2.7 -46.5 32.9 110 110 A K - 0 0 27 -63,-2.1 -63,-0.3 -2,-0.3 2,-0.1 -0.475 47.8-118.8 -64.4 128.8 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