==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-JUL-07 2V6S . COMPND 2 MOLECULE: PTERIN-4A-CARBINOLAMINE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR S.CAMERON,S.A.FYFFE,W.N.HUNTER . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 2 1.0 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 . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 2 0 0 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 2 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 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 M 0 0 236 0, 0.0 81,-0.1 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 54.5 -14.1 57.3 6.5 2 2 A A - 0 0 44 1,-0.1 79,-0.1 79,-0.1 78,-0.1 -0.445 360.0-143.3 -63.1 126.3 -15.1 53.7 5.8 3 3 A P S S+ 0 0 102 0, 0.0 2,-0.3 0, 0.0 78,-0.2 0.702 79.8 62.8 -64.2 -21.3 -17.1 52.3 8.8 4 4 A L S S- 0 0 86 76,-2.7 2,-0.3 75,-0.1 -2,-0.1 -0.793 85.5-114.6-110.7 149.9 -15.4 48.8 8.5 5 5 A A - 0 0 92 -2,-0.3 2,-0.3 3,-0.0 77,-0.1 -0.628 30.6-150.5 -74.2 132.3 -11.9 47.6 8.8 6 6 A R - 0 0 118 -2,-0.3 2,-0.4 75,-0.2 79,-0.2 -0.726 28.2 -97.2 -98.0 155.5 -10.3 46.3 5.6 7 7 A L - 0 0 25 77,-3.3 77,-0.4 -2,-0.3 3,-0.1 -0.602 48.4-115.7 -67.6 126.6 -7.7 43.6 5.5 8 8 A A > - 0 0 57 -2,-0.4 3,-2.2 1,-0.1 6,-0.3 -0.377 37.5 -88.8 -64.7 143.5 -4.3 45.5 5.2 9 9 A A T 3 S+ 0 0 46 1,-0.3 -1,-0.1 20,-0.2 21,-0.1 -0.289 112.8 3.9 -48.6 133.4 -2.3 44.9 2.0 10 10 A N T 3 S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.517 90.0 159.1 60.8 9.4 -0.0 41.9 2.5 11 11 A S <> - 0 0 32 -3,-2.2 4,-2.5 1,-0.1 5,-0.2 -0.309 53.1-118.9 -60.2 145.3 -1.5 41.1 5.9 12 12 A A H > S+ 0 0 83 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.880 115.7 50.5 -52.9 -40.9 -0.8 37.5 6.9 13 13 A R H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 108.3 50.5 -65.5 -47.4 -4.6 37.0 7.1 14 14 A L H > S+ 0 0 0 -6,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.941 114.4 45.4 -51.0 -52.0 -5.3 38.5 3.7 15 15 A L H X S+ 0 0 74 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.822 109.9 53.8 -64.6 -35.7 -2.6 36.2 2.3 16 16 A Q H < S+ 0 0 100 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.842 113.7 44.0 -67.0 -36.1 -3.9 33.2 4.2 17 17 A L H >X S+ 0 0 16 -4,-2.2 3,-1.2 2,-0.2 4,-0.5 0.892 109.8 54.5 -73.5 -42.5 -7.3 33.9 2.6 18 18 A H H >< S+ 0 0 40 -4,-2.8 3,-1.5 1,-0.3 6,-0.3 0.860 98.4 64.5 -59.6 -37.6 -5.9 34.5 -0.9 19 19 A K T 3< S+ 0 0 147 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.781 97.5 56.6 -54.4 -30.3 -4.2 31.1 -0.7 20 20 A T T <4 S+ 0 0 62 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.692 115.8 35.6 -77.2 -19.6 -7.7 29.5 -0.6 21 21 A V S X< S+ 0 0 0 -3,-1.5 3,-2.2 -4,-0.5 -1,-0.2 -0.471 73.1 163.7-129.8 60.5 -8.7 31.3 -3.9 22 22 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.632 67.8 62.5 -64.0 -18.1 -5.4 31.2 -5.8 23 23 A Q T 3 S+ 0 0 138 -3,-0.1 2,-0.3 2,-0.1 -4,-0.1 0.501 86.6 88.1 -87.4 -4.9 -6.9 31.9 -9.3 24 24 A W S < S- 0 0 4 -3,-2.2 2,-0.5 -6,-0.3 11,-0.2 -0.692 75.0-136.0 -85.0 145.7 -8.1 35.3 -8.1 25 25 A H E -A 34 0A 108 9,-3.1 9,-2.2 -2,-0.3 2,-0.2 -0.907 10.0-124.9-110.4 135.0 -5.7 38.2 -8.5 26 26 A L E -A 33 0A 36 -2,-0.5 7,-0.2 7,-0.2 2,-0.1 -0.498 27.5-137.0 -71.2 140.6 -5.0 40.9 -6.0 27 27 A T > - 0 0 33 5,-2.2 3,-2.7 -2,-0.2 5,-0.1 -0.438 40.5 -62.7 -97.2 167.0 -5.5 44.4 -7.2 28 28 A D G > S+ 0 0 163 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 -0.249 127.7 10.9 -53.9 134.5 -3.2 47.4 -6.6 29 29 A G G 3 S- 0 0 37 1,-0.2 -1,-0.3 2,-0.1 -20,-0.2 0.467 117.5 -93.7 73.7 4.2 -3.1 48.2 -2.9 30 30 A H G < S+ 0 0 35 -3,-2.7 54,-0.6 -21,-0.1 -1,-0.2 0.891 87.1 139.0 50.0 46.7 -4.8 44.9 -2.3 31 31 A L < + 0 0 73 -3,-0.9 2,-0.3 52,-0.2 47,-0.2 0.517 67.6 1.8 -96.4 -9.1 -8.1 46.7 -2.3 32 32 A S - 0 0 3 -5,-0.1 -5,-2.2 45,-0.1 2,-0.4 -0.969 64.2-125.1-163.7 167.8 -10.0 44.1 -4.3 33 33 A I E -AB 26 76A 0 43,-2.0 43,-3.1 -2,-0.3 2,-0.4 -0.970 23.5-161.0-124.5 148.0 -9.7 40.7 -6.0 34 34 A K E +AB 25 75A 67 -9,-2.2 -9,-3.1 -2,-0.4 2,-0.3 -0.960 15.0 166.7-130.7 142.4 -10.5 39.8 -9.6 35 35 A R E - B 0 74A 43 39,-2.0 39,-2.7 -2,-0.4 2,-0.7 -0.932 22.9-148.7-151.3 134.6 -11.2 36.7 -11.6 36 36 A K E - B 0 73A 125 -2,-0.3 2,-0.4 37,-0.3 37,-0.3 -0.922 21.5-153.9-100.0 112.3 -12.6 36.3 -15.1 37 37 A F E - B 0 72A 4 35,-3.5 35,-2.9 -2,-0.7 2,-0.4 -0.710 7.1-158.1 -87.2 137.3 -14.6 33.1 -15.2 38 38 A Q E + B 0 71A 142 -2,-0.4 2,-0.2 33,-0.2 33,-0.2 -0.968 13.4 174.2-123.2 130.1 -14.9 31.3 -18.6 39 39 A F - 0 0 13 31,-2.9 31,-0.1 -2,-0.4 3,-0.1 -0.706 43.4-106.9-123.9 175.4 -17.6 28.8 -19.6 40 40 A S S S- 0 0 84 -2,-0.2 2,-0.2 1,-0.1 30,-0.1 0.877 93.3 -17.8 -71.8 -37.6 -18.5 27.0 -22.8 41 41 A D S > S- 0 0 48 29,-0.1 4,-1.9 28,-0.1 -1,-0.1 -0.866 75.1 -85.2-154.3-176.7 -21.6 29.1 -23.4 42 42 A F H > S+ 0 0 3 -2,-0.2 4,-3.2 2,-0.2 5,-0.3 0.855 120.5 61.8 -68.0 -36.3 -24.1 31.5 -21.8 43 43 A N H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 108.9 41.0 -57.2 -49.9 -26.2 28.6 -20.5 44 44 A E H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 114.3 53.2 -59.7 -46.9 -23.3 27.4 -18.4 45 45 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.896 111.0 46.0 -58.4 -43.4 -22.4 31.0 -17.4 46 46 A W H X S+ 0 0 36 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.853 108.6 55.5 -68.1 -39.3 -26.0 31.7 -16.2 47 47 A G H X S+ 0 0 31 -4,-2.0 4,-1.1 -5,-0.3 -2,-0.2 0.900 113.1 43.4 -55.2 -44.9 -26.1 28.3 -14.3 48 48 A F H >X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.7 0.966 113.8 48.5 -62.7 -57.5 -23.0 29.5 -12.5 49 49 A M H 3X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.864 105.6 61.6 -53.9 -38.5 -24.2 33.1 -11.9 50 50 A S H 3X S+ 0 0 36 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.871 105.2 44.8 -54.6 -44.7 -27.5 31.6 -10.6 51 51 A R H S+ 0 0 0 -4,-3.3 5,-2.0 1,-0.2 4,-0.7 0.876 111.5 42.5 -56.6 -45.3 -24.9 36.6 -2.6 57 57 A D H <5S+ 0 0 62 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.805 112.9 55.0 -75.6 -25.8 -28.4 37.5 -1.4 58 58 A K H <5S+ 0 0 154 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.943 120.4 29.1 -67.7 -49.8 -28.2 35.0 1.5 59 59 A V H <5S- 0 0 48 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.481 106.8-127.8 -88.1 -3.4 -24.9 36.5 2.9 60 60 A D T <5S+ 0 0 108 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.925 70.6 121.6 55.4 48.8 -25.9 39.9 1.6 61 61 A H < - 0 0 19 -5,-2.0 -2,-0.2 -6,-0.2 -1,-0.2 -0.921 45.6-161.4-145.2 114.3 -22.5 40.4 -0.2 62 62 A H - 0 0 26 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.735 12.8-125.2-112.7 141.6 -22.7 40.9 -3.9 63 63 A P - 0 0 0 0, 0.0 2,-0.9 0, 0.0 105,-0.6 -0.483 15.0-132.9 -75.2 150.3 -20.2 40.6 -6.8 64 64 A N E +CD 75 167A 44 11,-1.7 11,-2.2 103,-0.1 2,-0.4 -0.922 48.5 173.3 -93.7 100.1 -19.3 43.4 -9.2 65 65 A W E -CD 74 166A 1 101,-1.9 101,-2.4 -2,-0.9 2,-0.6 -0.952 32.8-161.0-127.9 138.7 -19.7 41.2 -12.2 66 66 A Y E -CD 73 165A 79 7,-3.0 7,-3.0 -2,-0.4 2,-0.5 -0.942 15.9-165.9-116.1 107.6 -19.6 41.8 -16.0 67 67 A N E +CD 72 164A 0 97,-2.2 97,-1.8 -2,-0.6 2,-0.3 -0.830 14.2 172.4 -99.2 131.3 -21.2 39.0 -18.0 68 68 A V E > -CD 71 163A 43 3,-2.1 3,-1.8 -2,-0.5 2,-0.4 -0.872 64.4 -68.6-136.6 100.9 -20.6 38.8 -21.8 69 69 A Y T 3 S+ 0 0 88 93,-0.6 -28,-0.1 -2,-0.3 -24,-0.1 -0.347 123.8 1.7 53.8-104.9 -22.1 35.5 -23.2 70 70 A N T 3 S+ 0 0 39 -2,-0.4 -31,-2.9 -30,-0.1 2,-0.4 0.366 119.1 84.2 -96.4 6.1 -19.8 32.7 -21.8 71 71 A T E < -BC 38 68A 17 -3,-1.8 -3,-2.1 -33,-0.2 2,-0.4 -0.864 52.4-168.8-116.9 139.8 -17.6 35.0 -19.8 72 72 A V E -BC 37 67A 0 -35,-2.9 -35,-3.5 -2,-0.4 2,-0.6 -0.924 7.5-164.7-131.1 106.8 -18.0 36.4 -16.2 73 73 A D E -BC 36 66A 52 -7,-3.0 -7,-3.0 -2,-0.4 2,-0.4 -0.828 16.9-171.8 -99.2 117.2 -15.6 39.1 -15.2 74 74 A V E -BC 35 65A 1 -39,-2.7 -39,-2.0 -2,-0.6 2,-0.4 -0.863 20.7-178.6-122.1 138.1 -15.7 39.6 -11.4 75 75 A E E -BC 34 64A 67 -11,-2.2 -11,-1.7 -2,-0.4 2,-0.5 -0.990 14.5-162.8-132.8 128.0 -14.2 42.1 -9.0 76 76 A L E +B 33 0A 1 -43,-3.1 -43,-2.0 -2,-0.4 2,-0.3 -0.944 24.3 134.6-115.8 128.3 -14.8 41.7 -5.3 77 77 A S - 0 0 42 -2,-0.5 2,-0.7 -45,-0.2 7,-0.2 -0.957 51.0-111.3-155.4 168.4 -14.4 44.3 -2.5 78 78 A T B >>> -H 83 0B 10 5,-3.1 5,-1.7 -2,-0.3 3,-1.4 -0.915 21.1-161.4-106.0 111.4 -16.3 45.5 0.5 79 79 A H G >45S+ 0 0 163 -2,-0.7 3,-1.3 1,-0.3 -1,-0.2 0.909 89.9 56.4 -59.4 -45.8 -17.5 49.1 -0.1 80 80 A D G 345S+ 0 0 88 1,-0.3 -76,-2.7 -78,-0.1 -1,-0.3 0.572 115.1 39.6 -65.3 -9.1 -18.1 49.9 3.6 81 81 A A G <45S- 0 0 2 -3,-1.4 -1,-0.3 2,-0.3 -2,-0.2 0.442 101.8-131.5-111.5 -4.8 -14.4 48.9 4.2 82 82 A A T <<5S+ 0 0 61 -3,-1.3 2,-0.3 -4,-0.7 -3,-0.2 0.856 84.0 24.8 50.8 39.7 -13.0 50.6 1.1 83 83 A G B > - 0 0 20 -2,-0.2 3,-1.3 -79,-0.2 4,-1.1 -0.811 52.1 -91.4-129.3 177.3 -12.8 41.8 4.1 86 86 A E H 3> S+ 0 0 87 1,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.808 121.9 65.8 -57.4 -34.6 -13.3 38.0 4.9 87 87 A K H 3> S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.770 96.8 54.3 -59.9 -29.6 -16.7 38.3 3.1 88 88 A D H <> S+ 0 0 1 -3,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.925 111.6 43.3 -72.1 -43.0 -14.9 38.9 -0.2 89 89 A F H X S+ 0 0 3 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.845 112.7 52.2 -71.1 -36.3 -12.8 35.8 0.1 90 90 A A H X S+ 0 0 46 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.892 112.6 46.7 -64.5 -40.8 -15.8 33.7 1.3 91 91 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.935 111.8 50.3 -63.5 -47.0 -17.7 35.0 -1.8 92 92 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.901 110.2 51.2 -56.9 -43.4 -14.7 34.2 -4.1 93 93 A K H X S+ 0 0 86 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.923 110.0 47.3 -62.0 -49.5 -14.5 30.7 -2.6 94 94 A F H X S+ 0 0 46 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 113.4 49.9 -55.1 -47.5 -18.2 29.9 -3.2 95 95 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 109.3 51.6 -57.7 -45.3 -17.8 31.3 -6.8 96 96 A D H X S+ 0 0 14 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.897 111.8 47.0 -58.3 -42.7 -14.7 29.0 -7.3 97 97 A D H X S+ 0 0 61 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.880 111.4 49.6 -68.1 -41.5 -16.7 26.0 -6.1 98 98 A A H < S+ 0 0 1 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.832 113.5 47.4 -65.4 -34.3 -19.7 26.7 -8.3 99 99 A A H >< S+ 0 0 14 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.778 96.7 71.6 -78.1 -29.4 -17.5 27.2 -11.3 100 100 A K H 3< S+ 0 0 155 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 85.3 69.7 -55.8 -33.5 -15.5 24.0 -10.6 101 101 A N T 3< 0 0 118 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.1 0.636 360.0 360.0 -57.0 -19.2 -18.6 22.0 -11.7 102 102 A F < 0 0 110 -3,-2.0 -3,-0.0 -4,-0.1 -63,-0.0 -0.611 360.0 360.0-102.6 360.0 -18.1 23.1 -15.3 103 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 104 5 B A 0 0 124 0, 0.0 81,-0.3 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 129.7 -27.3 43.5 -41.3 105 6 B R - 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