==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-FEB-11 3QNA . COMPND 2 MOLECULE: 6-PYRUVOYL TETRAHYDROBIOPTERIN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.H.SEO,N.N.ZHUANG,K.H.LEE . 708 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 504 71.2 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 . 209 29.5 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 . 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 . 38 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 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 0 11 7 0 0 0 0 0 2 4 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 81 0, 0.0 354,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.9 32.4 53.8 44.8 2 3 A T E -AB 41 354A 12 39,-0.6 39,-1.8 352,-0.2 2,-0.4 -0.978 360.0-172.0-122.6 133.0 32.2 50.1 43.8 3 4 A T E -AB 40 353A 8 350,-2.9 350,-3.7 -2,-0.4 2,-0.3 -0.944 2.1-167.2-119.2 139.2 29.1 48.0 43.1 4 5 A L E -AB 39 352A 0 35,-2.8 35,-3.2 -2,-0.4 2,-0.3 -0.931 6.3-175.4-116.1 156.4 28.8 44.3 42.5 5 6 A F E -AB 38 351A 3 346,-2.3 346,-1.9 -2,-0.3 2,-0.3 -0.963 10.3-164.2-144.9 160.0 26.0 42.3 41.2 6 7 A K E -AB 37 350A 32 31,-1.8 31,-2.7 -2,-0.3 2,-0.3 -0.990 14.2-141.6-142.5 139.1 25.1 38.7 40.6 7 8 A D E -A 36 0A 19 342,-3.4 2,-0.3 -2,-0.3 29,-0.2 -0.776 17.1-179.8-102.9 147.1 22.3 37.2 38.4 8 9 A F E -A 35 0A 24 27,-2.4 27,-2.7 -2,-0.3 2,-0.4 -0.963 12.1-151.6-139.2 151.7 20.1 34.2 39.1 9 10 A T E +A 34 0A 52 -2,-0.3 2,-0.3 25,-0.2 25,-0.2 -0.980 14.5 176.8-125.9 139.1 17.3 32.5 37.1 10 11 A F E -A 33 0A 0 23,-2.1 23,-2.3 -2,-0.4 2,-0.5 -0.981 23.7-134.1-141.0 155.4 14.3 30.6 38.5 11 12 A E E +A 32 0A 17 -2,-0.3 58,-3.3 21,-0.2 59,-0.4 -0.944 40.5 149.3-115.5 123.5 11.3 29.0 36.8 12 13 A A E -A 31 0A 0 19,-1.9 19,-1.8 -2,-0.5 2,-0.3 -0.978 39.1-122.5-154.0 157.8 8.0 29.6 38.4 13 14 A A E +Ac 30 71A 0 57,-2.7 59,-3.1 372,-0.4 2,-0.3 -0.730 35.4 152.2-102.2 157.6 4.2 30.0 37.9 14 15 A H E -A 29 0A 1 15,-2.3 15,-2.2 -2,-0.3 2,-0.3 -0.969 22.1-160.1-168.0 168.3 2.1 33.0 38.8 15 16 A R - 0 0 91 -2,-0.3 11,-0.2 13,-0.2 13,-0.1 -0.953 26.0-118.7-155.4 149.3 -1.0 34.8 37.8 16 17 A L - 0 0 11 9,-3.3 3,-0.5 -2,-0.3 64,-0.1 -0.821 19.2-166.4 -94.2 128.0 -2.1 38.4 38.5 17 18 A P S S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 63,-0.1 0.645 79.3 54.1 -93.1 -12.6 -5.4 38.5 40.5 18 19 A H S S+ 0 0 90 148,-0.2 3,-0.1 147,-0.1 8,-0.1 0.113 77.1 109.8-110.6 24.4 -6.2 42.2 39.9 19 20 A V S S- 0 0 22 -3,-0.5 3,-0.1 1,-0.1 4,-0.0 -0.629 82.2 -91.6 -84.9 150.2 -6.2 42.5 36.2 20 21 A P > - 0 0 97 0, 0.0 3,-1.7 0, 0.0 6,-0.2 -0.280 59.0 -89.1 -55.1 153.0 -9.6 43.1 34.3 21 22 A E T 3 S+ 0 0 201 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.432 116.9 36.0 -70.6 145.3 -11.0 39.7 33.3 22 23 A G T 3 S+ 0 0 75 1,-0.4 -1,-0.2 -2,-0.1 2,-0.2 0.020 82.7 133.4 93.3 -24.5 -9.8 38.5 29.9 23 24 A H X - 0 0 47 -3,-1.7 3,-2.4 1,-0.1 4,-0.4 -0.394 63.9-129.1 -53.5 123.4 -6.3 40.1 30.6 24 25 A K G > S+ 0 0 111 1,-0.3 3,-1.1 -2,-0.2 -1,-0.1 0.800 106.0 60.5 -45.9 -33.0 -3.7 37.5 29.6 25 26 A A G 3 S+ 0 0 9 1,-0.2 -9,-3.3 -10,-0.1 -1,-0.3 0.648 90.6 69.3 -77.7 -11.2 -1.9 38.0 33.0 26 27 A G G < S+ 0 0 27 -3,-2.4 -1,-0.2 -11,-0.2 2,-0.2 0.645 85.9 84.6 -78.8 -17.5 -5.0 36.9 34.9 27 28 A R S < S- 0 0 93 -3,-1.1 2,-0.4 -4,-0.4 -11,-0.3 -0.551 97.6 -95.4 -81.2 150.3 -4.6 33.3 33.6 28 29 A L + 0 0 44 -2,-0.2 342,-0.4 -13,-0.1 2,-0.2 -0.501 68.6 138.1 -59.2 121.0 -2.3 30.8 35.3 29 30 A H E -A 14 0A 1 -15,-2.2 -15,-2.3 -2,-0.4 2,-0.3 -0.773 34.8-139.2-152.1-164.5 1.0 31.0 33.4 30 31 A G E -A 13 0A 0 -17,-0.3 2,-0.3 358,-0.3 -17,-0.2 -0.885 7.7-163.9-154.6-179.4 4.8 31.1 34.1 31 32 A H E -A 12 0A 1 -19,-1.8 -19,-1.9 -2,-0.3 2,-0.8 -0.951 35.0-108.6-162.3 165.5 8.1 32.7 33.2 32 33 A S E -A 11 0A 23 76,-0.5 2,-0.3 -2,-0.3 -21,-0.2 -0.930 48.3-154.5 -99.0 98.1 11.9 32.2 33.5 33 34 A F E -A 10 0A 0 -23,-2.3 -23,-2.1 -2,-0.8 2,-0.5 -0.577 7.6-153.9 -80.4 134.4 12.4 35.0 36.0 34 35 A M E -AD 9 107A 31 73,-2.7 73,-3.0 -2,-0.3 2,-0.4 -0.932 8.9-167.2-103.7 135.2 15.8 36.6 36.2 35 36 A V E -AD 8 106A 0 -27,-2.7 -27,-2.4 -2,-0.5 2,-0.5 -0.986 3.9-165.1-115.6 130.5 16.9 38.3 39.4 36 37 A R E -AD 7 105A 62 69,-2.6 69,-2.5 -2,-0.4 2,-0.5 -0.968 5.1-160.9-108.9 123.3 19.9 40.6 39.7 37 38 A L E -AD 6 104A 0 -31,-2.7 -31,-1.8 -2,-0.5 2,-0.5 -0.916 9.2-165.5-101.4 137.1 21.2 41.4 43.2 38 39 A E E -AD 5 103A 29 65,-2.6 64,-4.1 -2,-0.5 65,-1.9 -0.946 5.8-174.6-128.3 121.3 23.3 44.5 43.5 39 40 A I E -AD 4 101A 0 -35,-3.2 -35,-2.8 -2,-0.5 2,-0.4 -0.891 6.3-160.7-121.5 157.3 25.5 45.4 46.4 40 41 A T E +A 3 0A 46 60,-1.9 2,-0.3 -2,-0.3 -37,-0.2 -0.985 33.2 98.2-137.8 138.6 27.6 48.5 47.2 41 42 A G E -A 2 0A 22 -39,-1.8 -39,-0.6 -2,-0.4 2,-0.3 -0.992 63.0 -38.1 165.8-174.1 30.4 48.9 49.6 42 43 A E - 0 0 180 -2,-0.3 2,-0.5 8,-0.1 7,-0.1 -0.594 47.2-129.1 -86.0 134.6 34.1 49.1 50.4 43 44 A V - 0 0 40 -2,-0.3 7,-0.2 5,-0.1 -1,-0.1 -0.744 24.5-124.3 -79.4 123.0 36.6 46.8 48.8 44 45 A D > - 0 0 76 5,-2.0 4,-2.0 -2,-0.5 5,-0.3 -0.471 11.5-139.2 -67.0 133.7 38.9 45.0 51.3 45 46 A P T 4 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.868 100.5 42.8 -66.5 -35.0 42.7 45.7 50.5 46 47 A H T 4 S+ 0 0 109 1,-0.1 210,-0.1 3,-0.1 -2,-0.0 0.936 121.4 34.4 -76.8 -51.7 43.6 42.1 51.3 47 48 A T T 4 S- 0 0 35 2,-0.2 209,-0.2 3,-0.1 -1,-0.1 0.788 92.9-140.5 -74.7 -23.7 40.7 40.1 49.6 48 49 A G S < S+ 0 0 3 -4,-2.0 275,-0.5 1,-0.2 274,-0.3 0.679 70.4 82.4 68.6 19.0 40.4 42.6 46.7 49 50 A W S S- 0 0 38 -5,-0.3 -5,-2.0 1,-0.2 -1,-0.2 -0.918 79.9-126.4-144.8 167.9 36.6 42.3 46.8 50 51 A I S S- 0 0 18 1,-0.5 2,-0.3 -2,-0.3 -1,-0.2 0.951 93.6 -32.7 -78.4 -62.8 33.5 43.5 48.6 51 52 A I S S- 0 0 31 -3,-0.1 -1,-0.5 -4,-0.0 2,-0.2 -0.938 79.5 -81.4-142.1 172.9 32.4 40.0 49.3 52 53 A D >> - 0 0 32 -2,-0.3 4,-1.8 1,-0.2 3,-1.1 -0.509 31.3-131.5 -74.1 131.6 32.8 36.7 47.4 53 54 A F H 3> S+ 0 0 32 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.882 111.6 57.2 -41.8 -41.7 30.2 36.2 44.7 54 55 A A H 3> S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.810 101.9 54.8 -68.8 -26.7 29.7 32.7 46.2 55 56 A E H <> S+ 0 0 114 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.869 109.6 47.1 -71.6 -39.8 28.8 34.4 49.6 56 57 A L H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.949 111.3 50.2 -63.0 -48.1 26.1 36.4 47.8 57 58 A K H X S+ 0 0 124 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.925 112.0 50.5 -55.6 -41.2 24.9 33.3 46.0 58 59 A A H < S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 107.3 50.7 -71.8 -32.0 24.8 31.6 49.5 59 60 A A H < S+ 0 0 25 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.840 111.9 48.7 -75.5 -25.9 22.8 34.3 51.3 60 61 A F H X S+ 0 0 1 -4,-1.7 4,-3.1 -5,-0.2 3,-0.3 0.732 88.3 91.4 -80.3 -21.0 20.2 34.2 48.5 61 62 A K H X S+ 0 0 119 -4,-1.1 4,-2.7 1,-0.2 5,-0.2 0.834 82.0 48.6 -49.3 -48.2 19.8 30.5 48.5 62 63 A P H > S+ 0 0 92 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.944 117.7 43.3 -66.9 -34.7 16.9 30.0 51.1 63 64 A T H >> S+ 0 0 13 -4,-0.4 4,-0.9 -3,-0.3 3,-0.7 0.942 111.9 54.2 -66.3 -46.5 14.9 32.7 49.2 64 65 A Y H >X S+ 0 0 54 -4,-3.1 4,-2.9 1,-0.2 3,-1.0 0.903 105.0 54.4 -51.3 -46.1 15.9 31.3 45.8 65 66 A E H 3< S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 103.9 54.4 -66.9 -25.7 14.6 27.8 46.9 66 67 A R H << S+ 0 0 100 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.711 117.2 37.6 -74.8 -21.3 11.1 29.2 47.8 67 68 A L H X< S+ 0 0 0 -3,-1.0 3,-1.0 -4,-0.9 -2,-0.2 0.836 92.5 92.7-100.3 -39.1 10.8 30.7 44.3 68 69 A D T 3< S- 0 0 20 -4,-2.9 -56,-0.2 1,-0.3 3,-0.1 -0.394 106.3 -5.8 -65.8 132.4 12.4 28.2 42.0 69 70 A H T 3 S+ 0 0 15 -58,-3.3 2,-0.3 1,-0.2 -1,-0.3 0.933 111.4 115.8 48.0 50.4 9.9 25.7 40.5 70 71 A H S < S- 0 0 59 -3,-1.0 -57,-2.7 -59,-0.4 2,-0.6 -0.844 74.5-108.1-134.2 172.4 7.0 27.0 42.7 71 72 A Y B > -c 13 0A 42 -2,-0.3 3,-1.3 -59,-0.2 -57,-0.2 -0.950 28.8-154.5-104.0 115.2 3.7 28.8 42.2 72 73 A L G > S+ 0 0 0 -59,-3.1 3,-2.5 -2,-0.6 6,-0.2 0.871 84.7 68.7 -67.8 -41.3 4.3 32.3 43.4 73 74 A N G 3 S+ 0 0 14 1,-0.3 -1,-0.3 -60,-0.2 5,-0.1 0.744 96.1 58.1 -47.1 -24.0 0.7 33.1 44.4 74 75 A D G < S+ 0 0 128 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.474 83.4 93.0 -88.1 -6.8 1.0 30.6 47.3 75 76 A I S X S- 0 0 14 -3,-2.5 3,-2.6 3,-0.2 4,-0.0 -0.786 88.6-114.1 -86.8 124.3 3.9 32.3 48.9 76 77 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.381 104.7 29.6 -64.7 138.4 2.7 34.7 51.5 77 78 A G T 3 S+ 0 0 41 -4,-0.1 3,-0.3 0, 0.0 12,-0.1 0.106 110.2 76.9 99.6 -14.3 3.5 38.3 50.5 78 79 A L < + 0 0 0 -3,-2.6 -3,-0.2 -6,-0.2 8,-0.1 0.059 47.4 117.3-116.0 24.0 3.2 37.3 46.9 79 80 A E S S+ 0 0 107 1,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 0.706 87.1 40.7 -70.6 -14.6 -0.5 37.0 46.3 80 81 A N S S- 0 0 21 -3,-0.3 2,-2.0 -64,-0.1 -1,-0.3 -0.744 84.7-173.1-120.3 82.0 -0.2 39.8 43.7 81 82 A P + 0 0 0 0, 0.0 2,-0.1 0, 0.0 -8,-0.1 -0.324 22.1 149.2 -82.5 58.6 3.1 38.6 42.1 82 83 A T > - 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