==== 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 LYASE 18-DEC-06 2OBA . COMPND 2 MOLECULE: PROBABLE 6-PYRUVOYL TETRAHYDROBIOPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.E.MCGRATH,G.KISSELMAN,K.BATTAILE,V.ROMANOV,J.WU-BROWN,J.GU . 724 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 6 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 6 2 4 6 0 0 0 0 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 S 0 0 46 0, 0.0 42,-0.1 0, 0.0 44,-0.1 0.000 360.0 360.0 360.0 -36.9 16.3 28.3 8.9 2 0 A H + 0 0 65 1,-0.1 238,-0.5 237,-0.1 240,-0.3 0.908 360.0 165.8 70.3 101.8 13.5 26.6 11.0 3 1 A X E -A 42 0A 4 39,-2.0 39,-1.9 236,-0.1 2,-0.4 -0.701 34.1-112.4-131.9-177.8 13.9 23.0 12.0 4 2 A E E -AB 41 238A 23 234,-2.2 234,-2.7 -2,-0.2 2,-0.3 -0.993 27.7-168.1-126.4 124.8 12.4 20.4 14.4 5 3 A L E -AB 40 237A 0 35,-2.9 35,-2.0 -2,-0.4 2,-0.3 -0.761 4.3-166.4-104.7 153.0 14.4 18.9 17.2 6 4 A F E -AB 39 236A 23 230,-2.7 230,-1.1 -2,-0.3 2,-0.4 -1.000 12.9-169.8-143.8 155.4 13.6 16.0 19.4 7 5 A K E -AB 38 235A 37 31,-1.9 31,-2.9 -2,-0.3 2,-0.4 -0.999 16.1-148.7-136.1 131.3 14.6 14.3 22.6 8 6 A E E -A 37 0A 38 226,-3.3 2,-0.3 -2,-0.4 29,-0.2 -0.828 13.4-177.9-107.9 139.9 13.5 10.9 23.8 9 7 A F E -A 36 0A 25 27,-3.0 27,-3.3 -2,-0.4 2,-0.5 -0.958 14.0-147.6-131.1 151.1 13.0 9.6 27.4 10 8 A T E -A 35 0A 52 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.973 13.2-173.0-120.1 122.7 12.0 6.2 28.8 11 9 A F E -A 34 0A 0 23,-1.8 23,-2.3 -2,-0.5 2,-0.7 -0.948 19.2-139.1-117.8 142.0 9.9 5.7 32.0 12 10 A E E +A 33 0A 15 -2,-0.4 58,-2.1 21,-0.2 59,-0.4 -0.853 42.6 153.1 -99.5 108.1 9.2 2.4 33.7 13 11 A S E -A 32 0A 0 19,-2.0 19,-2.1 -2,-0.7 2,-0.3 -0.895 39.7-133.2-141.0 161.2 5.6 2.5 34.9 14 12 A A E +Ac 31 72A 0 57,-2.0 59,-2.7 380,-0.4 17,-0.3 -0.799 33.6 152.1-106.7 151.7 2.5 0.5 35.8 15 13 A H E -A 30 0A 0 15,-2.3 15,-2.2 -2,-0.3 2,-0.3 -0.953 21.6-161.9-164.4 172.0 -1.0 1.3 34.7 16 14 A R - 0 0 105 -2,-0.3 11,-0.2 13,-0.2 13,-0.1 -0.953 25.4-118.0-156.0 149.2 -4.4 -0.3 33.9 17 15 A L - 0 0 13 9,-2.6 3,-0.5 -2,-0.3 64,-0.1 -0.853 16.7-162.2 -96.9 125.0 -7.5 0.8 31.9 18 16 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 63,-0.1 0.662 79.9 55.3 -73.6 -23.0 -10.7 1.1 34.0 19 17 A H S S+ 0 0 99 273,-0.2 8,-0.0 272,-0.1 62,-0.0 0.017 79.0 100.6-110.2 27.4 -13.3 1.1 31.1 20 18 A V S S- 0 0 26 -3,-0.5 4,-0.1 1,-0.2 0, 0.0 -0.748 81.8 -81.8-105.2 158.7 -12.6 -2.1 29.1 21 19 A P > - 0 0 97 0, 0.0 3,-1.8 0, 0.0 6,-0.2 -0.066 46.6 -99.9 -55.6 160.3 -14.7 -5.3 29.4 22 20 A E T 3 S+ 0 0 199 1,-0.3 5,-0.1 3,-0.0 -2,-0.1 0.838 120.2 49.5 -50.6 -44.2 -14.0 -7.8 32.2 23 21 A G T 3 S+ 0 0 78 3,-0.0 2,-0.5 4,-0.0 -1,-0.3 0.225 84.3 121.4 -81.3 16.9 -11.9 -10.2 30.1 24 22 A H X - 0 0 34 -3,-1.8 3,-1.6 1,-0.1 4,-0.4 -0.707 57.2-148.7 -97.4 128.7 -9.6 -7.5 28.6 25 23 A K G > S+ 0 0 100 -2,-0.5 3,-0.9 1,-0.3 -1,-0.1 0.745 97.1 63.6 -62.2 -24.5 -5.9 -7.7 29.2 26 24 A C G 3 S+ 0 0 22 1,-0.2 -9,-2.6 -10,-0.1 -1,-0.3 0.663 97.4 57.1 -75.7 -20.9 -5.6 -3.9 29.2 27 25 A G G < S+ 0 0 15 -3,-1.6 -1,-0.2 -11,-0.2 2,-0.2 0.511 88.9 91.0 -87.2 -10.3 -7.8 -3.8 32.3 28 26 A R S < S- 0 0 86 -3,-0.9 2,-0.4 -4,-0.4 -11,-0.2 -0.591 95.8 -95.3 -79.3 148.0 -5.4 -6.0 34.3 29 27 A L S S+ 0 0 25 -2,-0.2 350,-0.5 -13,-0.1 2,-0.2 -0.534 70.5 134.9 -61.6 120.4 -2.6 -4.3 36.3 30 28 A H E -A 15 0A 0 -15,-2.2 -15,-2.3 -2,-0.4 2,-0.3 -0.725 33.2-152.3-148.2-159.9 0.5 -4.3 34.0 31 29 A G E -A 14 0A 0 -17,-0.3 2,-0.3 -2,-0.2 -17,-0.3 -0.973 2.1-154.1-172.5 175.2 3.2 -1.9 32.9 32 30 A H E -A 13 0A 0 -19,-2.1 -19,-2.0 -2,-0.3 2,-1.1 -0.971 35.7-104.4-154.1 161.3 5.7 -0.9 30.2 33 31 A S E -A 12 0A 19 -2,-0.3 -21,-0.2 76,-0.2 2,-0.1 -0.840 53.0-157.4 -85.5 89.4 9.0 0.7 29.4 34 32 A F E -A 11 0A 0 -23,-2.3 -23,-1.8 -2,-1.1 2,-0.4 -0.445 7.0-154.8 -70.4 142.2 7.2 3.8 28.0 35 33 A R E -AD 10 108A 57 73,-1.7 73,-2.9 -25,-0.2 2,-0.4 -0.975 8.1-169.2-115.8 139.4 9.1 6.0 25.6 36 34 A V E -AD 9 107A 0 -27,-3.3 -27,-3.0 -2,-0.4 2,-0.5 -0.995 6.1-159.3-128.7 122.6 8.3 9.6 25.1 37 35 A A E -AD 8 106A 0 69,-2.5 69,-1.9 -2,-0.4 2,-0.6 -0.899 6.2-155.7 -98.1 131.4 9.6 11.8 22.4 38 36 A I E -AD 7 105A 0 -31,-2.9 -31,-1.9 -2,-0.5 2,-0.4 -0.942 12.9-167.6-106.3 116.3 9.6 15.6 22.9 39 37 A H E -AD 6 104A 7 65,-2.8 64,-2.4 -2,-0.6 65,-1.1 -0.830 6.8-177.8-106.4 143.6 9.6 17.6 19.7 40 38 A I E -AD 5 102A 0 -35,-2.0 -35,-2.9 -2,-0.4 2,-0.4 -0.991 9.7-156.0-138.5 143.0 10.2 21.4 19.4 41 39 A E E +A 4 0A 87 60,-1.9 2,-0.3 -2,-0.3 -37,-0.2 -0.948 31.5 122.7-117.1 142.1 10.1 23.6 16.3 42 40 A G E -A 3 0A 14 -39,-1.9 -39,-2.0 -2,-0.4 2,-0.3 -0.983 59.9 -66.3-180.0 173.7 11.9 26.9 15.9 43 41 A E - 0 0 153 -2,-0.3 2,-0.5 -41,-0.2 7,-0.1 -0.618 54.0-118.1 -76.7 131.2 14.4 29.2 14.1 44 42 A V - 0 0 4 -2,-0.3 7,-0.2 1,-0.1 5,-0.1 -0.610 31.0-116.2 -75.9 122.1 17.9 28.0 14.4 45 43 A D > - 0 0 75 5,-2.2 4,-1.3 -2,-0.5 5,-0.4 -0.410 15.0-145.8 -62.0 124.4 20.0 30.6 16.3 46 44 A P T 4 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.872 96.3 40.1 -52.8 -51.5 22.8 32.0 14.0 47 45 A H T 4 S+ 0 0 128 1,-0.2 94,-0.1 3,-0.1 -2,-0.1 0.873 123.6 35.7 -72.3 -36.9 25.3 32.4 16.9 48 46 A T T 4 S- 0 0 44 2,-0.2 -1,-0.2 3,-0.1 93,-0.2 0.577 97.0-132.4 -91.1 -5.3 24.7 29.2 18.9 49 47 A G S < S+ 0 0 0 -4,-1.3 159,-0.6 1,-0.2 2,-0.3 0.691 74.1 84.6 57.9 20.9 24.0 27.0 15.8 50 48 A W S S- 0 0 34 -5,-0.4 -5,-2.2 1,-0.2 -2,-0.2 -0.977 72.8-136.1-148.8 165.8 20.8 25.7 17.6 51 49 A I S S- 0 0 27 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.956 93.6 -18.5 -76.4 -61.2 17.1 26.1 18.4 52 50 A R S S- 0 0 63 -12,-0.1 -1,-0.3 -10,-0.1 5,-0.1 -0.988 74.9 -98.3-148.2 140.2 17.5 25.1 22.0 53 51 A D >> - 0 0 24 -2,-0.3 3,-1.0 1,-0.2 4,-0.9 -0.341 28.8-136.7 -51.2 128.1 20.1 23.2 24.1 54 52 A F H >> S+ 0 0 33 1,-0.2 4,-1.3 2,-0.2 3,-0.6 0.851 103.9 62.4 -55.4 -36.9 18.9 19.5 24.5 55 53 A A H 3> S+ 0 0 56 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.719 97.2 54.5 -65.3 -27.6 20.0 19.8 28.1 56 54 A E H <> S+ 0 0 86 -3,-1.0 4,-1.7 2,-0.2 -1,-0.3 0.782 107.4 51.6 -74.1 -28.8 17.5 22.5 28.8 57 55 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 3,-1.2 0.826 90.3 87.7 -68.3 -33.1 11.1 17.6 31.6 62 60 A K H 3X S+ 0 0 120 -4,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.752 86.0 47.1 -40.4 -53.9 12.8 16.1 34.7 63 61 A P H 3> S+ 0 0 78 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.857 117.6 45.4 -62.6 -31.3 10.1 16.9 37.4 64 62 A I H <> S+ 0 0 6 -3,-1.2 4,-1.6 -4,-0.4 3,-0.3 0.933 112.3 50.7 -73.4 -47.4 7.4 15.5 35.0 65 63 A Y H X S+ 0 0 61 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.885 108.3 53.7 -49.7 -47.3 9.6 12.5 34.1 66 64 A E H < S+ 0 0 108 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.811 105.1 53.2 -65.3 -34.3 10.0 11.9 37.9 67 65 A Q H < S+ 0 0 82 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.863 119.2 36.4 -58.7 -40.1 6.2 11.9 38.5 68 66 A L H >< S+ 0 0 0 -4,-1.6 3,-1.0 -3,-0.1 -2,-0.2 0.905 98.2 88.0 -84.0 -46.0 5.8 9.3 35.8 69 67 A D T 3< S- 0 0 21 -4,-3.2 -56,-0.2 1,-0.2 3,-0.1 -0.329 103.8 -1.6 -67.9 135.4 8.9 7.1 36.2 70 68 A H T 3 S+ 0 0 11 -58,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.883 113.4 105.6 54.8 42.0 8.8 4.1 38.6 71 69 A N S < S- 0 0 39 -3,-1.0 -57,-2.0 -59,-0.4 2,-0.6 -0.856 79.3-101.0-140.0 174.1 5.3 5.0 39.5 72 70 A Y B > -c 14 0A 44 -2,-0.3 3,-1.6 -59,-0.2 4,-0.2 -0.920 28.0-153.2-102.1 115.6 1.6 3.8 39.0 73 71 A L G > S+ 0 0 0 -59,-2.7 3,-1.6 -2,-0.6 6,-0.2 0.791 87.9 67.5 -64.1 -33.3 0.1 6.1 36.4 74 72 A N G 3 S+ 0 0 18 -60,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.616 93.9 61.2 -63.6 -13.7 -3.5 5.7 37.7 75 73 A D G < S+ 0 0 122 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.492 81.2 94.0 -91.6 -9.2 -2.5 7.5 40.9 76 74 A I S X S- 0 0 11 -3,-1.6 3,-2.3 3,-0.2 2,-0.0 -0.732 92.0-103.7 -81.0 128.8 -1.6 10.8 39.2 77 75 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.335 108.2 22.9 -53.3 127.5 -4.5 13.2 39.1 78 76 A G T 3 S+ 0 0 61 -4,-0.1 3,-0.3 -2,-0.0 12,-0.1 0.200 106.3 84.1 101.6 -13.6 -6.1 13.3 35.6 79 77 A L < + 0 0 0 -3,-2.3 -3,-0.2 -6,-0.2 8,-0.0 -0.201 40.2 118.5-115.7 39.2 -4.7 9.8 34.6 80 78 A E S S+ 0 0 106 1,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 0.666 88.5 42.1 -74.5 -19.8 -7.3 7.5 36.1 81 79 A N S S- 0 0 18 -3,-0.3 2,-2.4 -64,-0.1 -1,-0.3 -0.705 83.0-177.4-116.7 75.9 -7.8 6.4 32.4 82 80 A P + 0 0 0 0, 0.0 -3,-0.1 0, 0.0 -9,-0.1 -0.247 16.6 157.0 -81.4 57.6 -4.1 6.2 31.4 83 81 A T > - 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