==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-FEB-11 3QN0 . COMPND 2 MOLECULE: 6-PYRUVOYL TETRAHYDROBIOPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.H.SEO,N.N.ZHUANG,K.H.LEE . 702 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29564.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 35 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 19.5 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 . 2 4 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 0 1 11 6 0 0 0 0 0 4 2 0 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 2 A S 0 0 96 0, 0.0 352,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.1 18.4 54.4 44.6 2 3 A T E -AB 41 352A 11 39,-0.6 39,-1.3 350,-0.2 2,-0.4 -0.996 360.0-170.2-126.8 134.1 17.1 52.0 41.9 3 4 A T E -AB 40 351A 4 348,-2.7 348,-2.7 -2,-0.4 2,-0.3 -0.943 3.0-163.0-123.3 133.5 18.0 52.2 38.2 4 5 A L E -AB 39 350A 4 35,-2.8 35,-3.1 -2,-0.4 2,-0.3 -0.885 7.5-172.7-110.3 158.2 16.6 50.3 35.2 5 6 A F E -AB 38 349A 6 344,-2.9 344,-2.4 -2,-0.3 2,-0.4 -0.994 8.4-165.8-149.8 138.9 18.0 49.9 31.8 6 7 A K E -AB 37 348A 24 31,-2.5 31,-2.8 -2,-0.3 2,-0.4 -0.981 13.6-143.4-126.6 147.1 16.9 48.4 28.5 7 8 A D E -A 36 0A 18 340,-3.2 2,-0.3 -2,-0.4 29,-0.2 -0.835 16.4-178.5-111.1 140.5 19.0 47.6 25.5 8 9 A F E -A 35 0A 26 27,-1.9 27,-2.5 -2,-0.4 2,-0.4 -0.970 11.9-150.5-135.9 149.5 18.0 47.9 21.8 9 10 A T E +A 34 0A 85 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.984 15.0 175.7-124.5 130.8 19.8 47.1 18.6 10 11 A F E -A 33 0A 0 23,-1.3 23,-2.3 -2,-0.4 2,-0.5 -0.967 23.4-134.2-127.7 154.5 19.4 48.8 15.2 11 12 A E E +A 32 0A 13 -2,-0.3 58,-3.3 21,-0.2 59,-0.7 -0.905 40.0 150.2-108.9 126.7 21.2 48.4 11.9 12 13 A A E -Ac 31 70A 0 19,-2.2 19,-2.1 -2,-0.5 2,-0.3 -0.973 39.6-122.2-154.7 157.6 22.3 51.5 10.1 13 14 A A E +Ac 30 71A 0 57,-2.8 59,-3.5 369,-0.5 17,-0.3 -0.772 35.6 149.6 -99.8 153.1 24.6 53.3 7.8 14 15 A H E -A 29 0A 2 15,-1.8 15,-2.3 -2,-0.3 2,-0.3 -0.942 21.2-164.4-159.3 175.1 26.7 56.3 8.5 15 16 A R - 0 0 93 -2,-0.3 11,-0.2 13,-0.2 13,-0.1 -0.918 29.8-113.1-154.4 155.2 30.0 58.0 7.6 16 17 A L > - 0 0 8 9,-4.1 3,-0.6 -2,-0.3 64,-0.1 -0.875 20.3-167.1 -99.6 123.6 31.9 60.9 9.3 17 18 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.610 81.8 54.1 -80.5 -18.9 32.1 64.1 7.3 18 19 A H T 3 S+ 0 0 86 147,-0.2 3,-0.1 146,-0.1 8,-0.1 0.335 78.4 103.0-107.5 7.9 34.8 65.8 9.4 19 20 A V S < S- 0 0 26 -3,-0.6 146,-0.0 1,-0.1 0, 0.0 -0.489 83.2 -86.1 -78.3 158.3 37.7 63.3 9.5 20 21 A P - 0 0 101 0, 0.0 3,-0.5 0, 0.0 6,-0.2 -0.220 51.9 -92.0 -61.9 161.7 40.8 63.9 7.3 21 22 A E S S+ 0 0 203 1,-0.2 -2,-0.1 -3,-0.1 5,-0.1 0.723 117.7 43.5 -51.7 -40.2 40.7 62.6 3.7 22 23 A G S S+ 0 0 72 3,-0.0 -1,-0.2 4,-0.0 5,-0.1 0.951 84.0 122.8 -68.2 -41.4 42.3 59.1 4.0 23 24 A H > - 0 0 54 -3,-0.5 3,-1.5 1,-0.1 4,-0.4 0.363 62.0-138.1 -40.3 137.0 40.4 58.0 7.1 24 25 A K G > S+ 0 0 94 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.765 99.8 64.0 -70.6 -17.6 38.2 54.9 7.0 25 26 A C G 3 S+ 0 0 23 1,-0.2 -9,-4.1 -10,-0.1 -1,-0.3 0.590 93.2 62.0 -81.1 -11.0 35.4 56.6 9.0 26 27 A G G < S+ 0 0 27 -3,-1.5 -1,-0.2 -11,-0.2 -2,-0.2 0.552 89.2 91.1 -84.5 -11.0 34.8 59.1 6.2 27 28 A R S < S- 0 0 88 -3,-0.9 2,-0.3 -4,-0.4 -11,-0.2 -0.506 97.7 -89.0 -79.4 155.7 33.9 56.2 3.9 28 29 A L S S+ 0 0 46 -2,-0.1 339,-0.4 -13,-0.1 2,-0.2 -0.475 71.9 143.4 -64.2 123.9 30.3 55.0 3.5 29 30 A H E -A 14 0A 2 -15,-2.3 -15,-1.8 -2,-0.3 2,-0.3 -0.727 30.6-155.4-148.1-173.9 30.0 52.3 6.2 30 31 A G E -A 13 0A 0 -17,-0.3 2,-0.3 -2,-0.2 -17,-0.2 -0.972 3.7-164.9-164.6 175.1 27.5 50.9 8.8 31 32 A H E -A 12 0A 1 -19,-2.1 -19,-2.2 -2,-0.3 2,-0.8 -0.965 36.3-104.5-154.1 166.4 27.2 49.0 12.1 32 33 A S E -A 11 0A 25 76,-0.4 -21,-0.2 -2,-0.3 353,-0.1 -0.912 51.4-158.5 -89.9 96.8 24.9 47.1 14.4 33 34 A F E -A 10 0A 1 -23,-2.3 -23,-1.3 -2,-0.8 2,-0.4 -0.416 8.8-153.4 -78.5 158.5 24.4 49.9 16.9 34 35 A M E -AD 9 107A 29 73,-1.9 73,-2.3 -25,-0.2 2,-0.5 -0.999 6.8-167.7-126.8 132.3 23.3 49.3 20.5 35 36 A V E -AD 8 106A 0 -27,-2.5 -27,-1.9 -2,-0.4 2,-0.6 -0.987 3.4-162.6-119.1 128.0 21.4 51.9 22.5 36 37 A R E -AD 7 105A 60 69,-3.2 69,-3.0 -2,-0.5 2,-0.5 -0.964 4.0-162.0-108.3 127.0 21.0 51.5 26.2 37 38 A L E -AD 6 104A 0 -31,-2.8 -31,-2.5 -2,-0.6 2,-0.4 -0.921 7.9-165.2-107.7 136.6 18.4 53.6 27.9 38 39 A E E -AD 5 103A 27 65,-2.1 64,-3.6 -2,-0.5 65,-1.3 -0.957 3.2-166.3-130.9 137.5 18.6 54.0 31.5 39 40 A I E -AD 4 101A 2 -35,-3.1 -35,-2.8 -2,-0.4 2,-0.4 -0.960 2.8-164.5-129.9 139.2 16.0 55.2 34.0 40 41 A T E +A 3 0A 45 60,-2.6 2,-0.3 -2,-0.4 -37,-0.2 -0.980 34.7 87.0-128.0 134.3 16.1 56.3 37.6 41 42 A G E -A 2 0A 21 -39,-1.3 -39,-0.6 -2,-0.4 2,-0.3 -0.977 67.6 -30.7 176.0-156.5 13.2 56.8 40.1 42 43 A E - 0 0 176 -2,-0.3 2,-0.6 8,-0.2 7,-0.1 -0.662 51.2-122.6 -90.1 133.2 10.9 55.5 42.7 43 44 A V - 0 0 49 -2,-0.3 7,-0.2 5,-0.1 -1,-0.0 -0.709 29.8-121.6 -76.3 117.8 9.7 51.9 42.7 44 45 A D > - 0 0 67 5,-2.0 4,-2.7 -2,-0.6 5,-0.3 -0.457 15.7-142.8 -54.7 114.8 5.9 51.8 42.6 45 46 A P T 4 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.758 96.1 42.2 -61.6 -22.1 4.8 49.8 45.7 46 47 A H T 4 S+ 0 0 109 3,-0.1 208,-0.1 1,-0.1 -2,-0.0 0.940 124.4 28.6 -89.1 -53.8 2.0 48.2 43.9 47 48 A T T 4 S- 0 0 42 2,-0.2 207,-0.2 206,-0.0 3,-0.1 0.709 92.5-134.9 -81.9 -18.3 3.4 47.3 40.4 48 49 A G < + 0 0 3 -4,-2.7 273,-0.5 1,-0.2 272,-0.3 0.759 68.1 111.6 67.0 29.7 6.9 46.8 41.7 49 50 A W - 0 0 31 -5,-0.3 -5,-2.0 1,-0.1 -1,-0.2 -0.965 64.0-151.3-133.1 142.9 8.2 48.8 38.6 50 51 A I S S- 0 0 17 1,-0.4 2,-0.3 -2,-0.3 -8,-0.2 0.855 95.2 -8.8 -73.3 -37.2 9.9 52.2 38.1 51 52 A I S S- 0 0 18 -3,-0.1 -1,-0.4 -10,-0.1 2,-0.4 -0.976 77.4-106.1-154.6 149.8 8.2 52.1 34.7 52 53 A D >> - 0 0 54 -2,-0.3 4,-1.5 -3,-0.2 3,-0.6 -0.672 26.4-136.2 -72.0 130.7 6.3 49.6 32.6 53 54 A F H 3> S+ 0 0 56 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.844 103.8 62.6 -58.4 -30.9 8.6 48.4 29.7 54 55 A A H 3> S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.874 101.5 48.0 -62.8 -41.4 5.6 48.8 27.4 55 56 A E H <> S+ 0 0 108 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.880 114.5 48.9 -64.6 -37.1 5.4 52.6 28.1 56 57 A L H >X S+ 0 0 2 -4,-1.5 4,-1.6 2,-0.2 3,-0.7 0.962 111.1 46.7 -67.8 -54.9 9.2 52.7 27.4 57 58 A K H >X S+ 0 0 119 -4,-3.4 4,-1.9 1,-0.2 3,-0.5 0.938 114.3 50.0 -50.7 -49.1 9.1 50.7 24.2 58 59 A A H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.753 110.8 48.3 -60.8 -27.9 6.1 52.8 23.0 59 60 A A H << S+ 0 0 22 -4,-1.2 4,-0.3 -3,-0.7 -1,-0.2 0.733 117.1 40.8 -89.9 -19.7 7.8 56.1 23.8 60 61 A F H S+ 0 0 80 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.900 115.6 41.1 -48.8 -43.7 9.2 56.8 17.0 63 64 A T H > S+ 0 0 10 -3,-0.5 4,-1.0 -4,-0.3 -2,-0.2 0.853 115.6 50.8 -71.1 -35.5 12.9 57.5 17.5 64 65 A Y H X S+ 0 0 63 -4,-2.7 4,-1.8 1,-0.2 3,-0.4 0.894 105.2 55.5 -69.5 -40.7 13.9 53.9 17.0 65 66 A E H < S+ 0 0 110 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 106.2 52.3 -67.2 -29.4 12.0 53.6 13.7 66 67 A R H < S+ 0 0 99 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.758 114.1 43.0 -71.6 -30.0 13.9 56.6 12.4 67 68 A L H >< S+ 0 0 0 -4,-1.0 3,-0.8 -3,-0.4 2,-0.4 0.768 94.3 89.0 -90.1 -25.9 17.2 55.1 13.2 68 69 A D T 3< S- 0 0 26 -4,-1.8 -56,-0.2 1,-0.3 3,-0.1 -0.610 102.2 -3.8 -95.8 131.8 16.8 51.5 12.1 69 70 A H T 3 S+ 0 0 22 -58,-3.3 -1,-0.3 -2,-0.4 2,-0.3 0.880 112.5 111.2 57.0 41.2 17.6 50.2 8.7 70 71 A H E < S-c 12 0A 62 -3,-0.8 -57,-2.8 -59,-0.7 2,-0.6 -0.839 77.4-106.3-133.7 172.1 18.4 53.8 7.7 71 72 A Y E > -c 13 0A 40 -2,-0.3 3,-0.9 -59,-0.2 -57,-0.2 -0.918 29.5-149.8-100.2 120.5 21.4 56.1 6.8 72 73 A L G > S+ 0 0 0 -59,-3.5 3,-2.2 -2,-0.6 6,-0.2 0.875 85.8 67.1 -70.5 -35.8 22.1 58.3 9.8 73 74 A N G 3 S+ 0 0 16 1,-0.3 -1,-0.2 -60,-0.3 4,-0.1 0.782 92.2 63.8 -56.5 -26.3 23.5 61.4 8.0 74 75 A D G < S+ 0 0 129 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.1 0.368 83.1 91.6 -82.5 3.1 20.1 62.0 6.4 75 76 A I S X S- 0 0 13 -3,-2.2 3,-2.4 3,-0.2 -8,-0.0 -0.890 90.5-107.1 -99.4 126.4 18.4 62.7 9.8 76 77 A P T 3 S+ 0 0 93 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.264 107.1 18.8 -55.9 129.2 18.4 66.4 11.0 77 78 A G T 3 S+ 0 0 38 -4,-0.1 3,-0.3 1,-0.0 12,-0.1 0.110 107.8 82.5 92.8 -22.1 21.0 66.7 13.8 78 79 A L < + 0 0 0 -3,-2.4 -3,-0.2 -6,-0.2 8,-0.1 -0.153 50.0 120.2-103.1 36.0 22.8 63.5 13.0 79 80 A E S S+ 0 0 107 1,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 0.676 85.2 34.8 -74.3 -27.2 24.9 65.1 10.2 80 81 A N S S- 0 0 19 -3,-0.3 2,-1.7 -64,-0.1 -1,-0.3 -0.746 87.0-172.9-122.9 84.0 28.0 64.2 12.1 81 82 A P + 0 0 0 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.402 24.1 142.8 -89.0 60.2 26.8 60.9 13.5 82 83 A T > - 0 0 0 -2,-1.7 4,-3.2 1,-0.1 5,-0.2 -0.272 65.9 -98.2 -76.4 179.6 29.6 59.8 15.9 83 84 A S H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.952 122.5 51.1 -67.5 -52.4 28.8 58.0 19.1 84 85 A E H > S+ 0 0 6 82,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.839 118.5 39.4 -50.1 -40.0 29.0 61.1 21.3 85 86 A V H > S+ 0 0 36 81,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.877 112.3 55.0 -83.9 -41.8 26.7 62.9 19.0 86 87 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.961 111.6 46.7 -54.3 -45.0 24.4 59.9 18.4 87 88 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.855 111.2 47.8 -69.1 -41.3 23.9 59.6 22.2 88 89 A K H X S+ 0 0 101 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.888 112.3 53.0 -61.6 -35.4 23.2 63.3 22.9 89 90 A W H X S+ 0 0 17 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.935 108.8 47.6 -69.6 -43.7 20.8 63.2 20.0 90 91 A I H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.5 0.928 108.4 55.2 -61.4 -47.2 18.9 60.2 21.4 91 92 A W H 3X S+ 0 0 45 -4,-2.1 4,-3.0 1,-0.2 3,-0.3 0.920 106.8 51.8 -48.4 -44.1 18.7 61.8 24.9 92 93 A D H 3< S+ 0 0 73 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 112.8 43.8 -71.4 -29.0 17.1 64.9 23.2 93 94 A Q H << S+ 0 0 68 -4,-1.3 -1,-0.2 -3,-0.5 4,-0.2 0.683 124.0 36.3 -78.1 -23.9 14.4 62.9 21.5 94 95 A V H >X S+ 0 0 0 -4,-1.8 4,-1.3 -3,-0.3 3,-1.3 0.870 99.3 68.7-106.3 -39.0 13.7 60.7 24.5 95 96 A K G >< S+ 0 0 80 -4,-3.0 3,-0.6 -5,-0.3 6,-0.2 0.870 100.1 53.9 -46.6 -46.2 14.1 62.9 27.7 96 97 A P G 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.815 117.6 35.1 -63.6 -28.0 10.9 64.8 26.7 97 98 A V G <4 S+ 0 0 78 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.407 126.1 38.6-106.3 0.4 8.8 61.6 26.4 98 99 A V X< - 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