==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 30-AUG-13 4C45 . COMPND 2 MOLECULE: PTERIN-4-ALPHA-CARBINOLAMINE DEHYDRATASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.KOPEC,W.KIYANI,M.VOLLMAR,L.SHRESTHA,P.CANNING,F.VON DELFT, . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 68.7 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 . 18 18.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 1 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 . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 0 1 0 1 0 0 1 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 . 1 1 0 0 1 1 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 1 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 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 6 A T 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 28.7 -5.9 37.4 2 7 A H + 0 0 117 2,-0.1 81,-3.2 81,-0.0 82,-0.3 0.524 360.0 110.4 -88.8 -10.5 25.0 -6.2 36.7 3 8 A R - 0 0 116 79,-0.2 2,-0.4 80,-0.1 79,-0.1 -0.346 67.7-126.5 -67.8 146.0 25.7 -7.3 33.1 4 9 A L - 0 0 30 77,-0.4 2,-0.1 4,-0.0 -1,-0.1 -0.765 14.7-131.9 -88.2 135.5 25.0 -10.9 32.2 5 10 A T > - 0 0 77 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.371 35.0-102.5 -69.5 166.5 27.6 -13.2 30.6 6 11 A A H > S+ 0 0 88 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.906 125.7 48.5 -57.7 -41.0 26.5 -15.1 27.5 7 12 A E H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 111.9 47.6 -64.3 -46.1 26.1 -18.2 29.7 8 13 A E H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.898 112.8 50.0 -64.6 -38.3 24.1 -16.4 32.4 9 14 A R H X S+ 0 0 68 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.935 109.8 49.6 -65.6 -47.2 21.9 -14.9 29.8 10 15 A N H X S+ 0 0 103 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.934 114.6 45.3 -55.4 -46.3 21.2 -18.2 28.1 11 16 A Q H X S+ 0 0 95 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.912 111.3 52.4 -66.9 -42.5 20.4 -19.8 31.4 12 17 A A H X S+ 0 0 5 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.923 109.1 50.1 -59.4 -43.6 18.2 -16.8 32.5 13 18 A I H X S+ 0 0 19 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.921 110.4 49.5 -63.8 -42.9 16.2 -17.0 29.3 14 19 A L H X S+ 0 0 94 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.941 114.3 45.2 -56.8 -46.5 15.6 -20.7 29.7 15 20 A D H X S+ 0 0 66 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.925 115.2 46.8 -66.1 -43.2 14.5 -20.2 33.3 16 21 A L H <>S+ 0 0 5 -4,-3.0 5,-2.7 2,-0.2 4,-0.2 0.911 110.0 52.8 -69.8 -38.1 12.2 -17.2 32.4 17 22 A K H ><5S+ 0 0 87 -4,-2.9 3,-1.6 -5,-0.2 -1,-0.2 0.916 107.3 52.7 -60.3 -41.1 10.7 -19.1 29.4 18 23 A A H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.872 107.5 52.9 -61.7 -32.0 9.8 -21.9 31.8 19 24 A A T 3<5S- 0 0 29 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.391 128.1 -99.5 -83.3 1.6 8.2 -19.4 34.0 20 25 A G T < 5S+ 0 0 48 -3,-1.6 13,-0.3 1,-0.3 -3,-0.2 0.531 77.4 135.3 94.1 8.5 6.1 -18.1 31.1 21 26 A W < - 0 0 8 -5,-2.7 -1,-0.3 -6,-0.1 2,-0.3 -0.547 36.4-155.6 -83.2 153.9 8.0 -15.0 30.1 22 27 A S E -A 31 0A 55 9,-2.6 9,-2.5 -2,-0.2 2,-0.4 -0.907 15.7-118.8-124.2 157.4 8.8 -14.2 26.5 23 28 A E E -A 30 0A 93 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.802 27.7-126.0 -90.5 137.8 11.5 -12.1 24.7 24 29 A L - 0 0 40 5,-2.4 5,-0.3 -2,-0.4 48,-0.0 -0.536 11.3-142.7 -75.6 147.5 10.4 -9.1 22.7 25 30 A S S S+ 0 0 123 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 0.838 95.3 40.7 -81.0 -32.2 11.7 -9.2 19.2 26 31 A E S S+ 0 0 140 -3,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.401 118.3 38.6 -98.6 -6.8 12.3 -5.5 18.8 27 32 A R S S- 0 0 96 2,-0.2 2,-1.7 53,-0.0 -3,-0.2 -0.979 84.2-112.8-138.0 153.7 13.8 -4.7 22.2 28 33 A D S S+ 0 0 43 51,-0.4 47,-0.3 -2,-0.3 2,-0.3 -0.637 81.4 110.7 -84.6 79.2 16.1 -6.5 24.5 29 34 A A - 0 0 1 -2,-1.7 -5,-2.4 -5,-0.3 2,-0.3 -0.942 61.2-128.6-149.8 159.0 13.3 -7.0 27.0 30 35 A I E -AB 23 73A 2 43,-2.2 43,-2.6 -2,-0.3 2,-0.3 -0.859 21.9-163.5-117.5 154.9 11.2 -9.7 28.5 31 36 A Y E +AB 22 72A 59 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.3 -0.991 12.4 168.7-140.3 140.3 7.4 -9.7 28.8 32 37 A K E - B 0 71A 35 39,-2.2 39,-2.6 -2,-0.3 2,-0.5 -0.941 21.6-144.4-152.7 138.8 4.7 -11.6 30.7 33 38 A E E - B 0 70A 87 -2,-0.3 2,-0.4 -13,-0.3 37,-0.2 -0.873 16.8-161.8 -95.5 129.8 0.9 -11.2 31.3 34 39 A F E - B 0 69A 14 35,-3.1 35,-2.5 -2,-0.5 2,-0.5 -0.896 1.1-162.5-108.1 138.0 -0.4 -12.2 34.7 35 40 A S E + B 0 68A 73 -2,-0.4 33,-0.2 33,-0.2 2,-0.1 -0.957 12.2 178.8-126.9 112.6 -4.1 -12.9 35.3 36 41 A F - 0 0 24 31,-2.8 31,-0.1 -2,-0.5 3,-0.1 -0.311 41.8-104.5 -97.4-175.7 -5.4 -12.9 38.8 37 42 A H S S- 0 0 143 1,-0.1 2,-0.3 -2,-0.1 30,-0.2 0.824 92.8 -15.1 -80.0 -31.8 -9.0 -13.5 40.1 38 43 A N S > S- 0 0 40 29,-0.2 4,-1.9 28,-0.1 -1,-0.1 -0.884 73.1 -89.3-160.1 179.4 -9.6 -9.8 40.8 39 44 A F H > S+ 0 0 86 -2,-0.3 4,-3.4 2,-0.2 5,-0.4 0.815 117.0 63.8 -74.9 -34.4 -8.1 -6.3 41.3 40 45 A N H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.964 110.6 39.2 -51.8 -50.3 -7.6 -6.8 45.0 41 46 A Q H > S+ 0 0 51 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.936 116.6 50.8 -64.0 -47.3 -5.2 -9.6 44.2 42 47 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.911 114.3 42.5 -61.6 -45.0 -3.6 -7.8 41.2 43 48 A F H X S+ 0 0 100 -4,-3.4 4,-2.5 2,-0.2 -1,-0.2 0.848 110.7 55.2 -74.9 -31.2 -3.0 -4.6 43.1 44 49 A G H X S+ 0 0 36 -4,-2.1 4,-1.7 -5,-0.4 -2,-0.2 0.926 110.8 47.6 -59.7 -43.8 -1.7 -6.5 46.2 45 50 A F H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.943 110.7 51.0 -60.8 -46.8 0.8 -8.2 43.8 46 51 A M H X S+ 0 0 22 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.884 105.7 56.3 -60.0 -37.6 1.7 -4.8 42.3 47 52 A S H X S+ 0 0 48 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.921 107.5 47.9 -62.8 -40.7 2.3 -3.3 45.7 48 53 A R H X S+ 0 0 103 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.907 112.9 48.5 -63.8 -43.7 4.9 -6.1 46.5 49 54 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.900 109.2 53.2 -63.5 -41.0 6.5 -5.5 43.2 50 55 A A H X S+ 0 0 45 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.903 107.5 51.2 -59.5 -44.8 6.6 -1.7 43.8 51 56 A L H X S+ 0 0 130 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.931 112.8 45.6 -56.1 -48.0 8.3 -2.2 47.1 52 57 A Q H X S+ 0 0 26 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.861 106.9 58.6 -67.4 -38.0 10.9 -4.4 45.5 53 58 A A H X>S+ 0 0 2 -4,-2.7 5,-2.0 1,-0.2 4,-1.1 0.904 110.6 43.4 -56.5 -41.0 11.4 -1.9 42.6 54 59 A E H <5S+ 0 0 137 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.890 110.8 54.0 -74.7 -36.6 12.3 0.7 45.2 55 60 A K H <5S+ 0 0 165 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 122.3 30.9 -57.7 -40.7 14.6 -1.7 47.1 56 61 A M H <5S- 0 0 33 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.494 100.5-127.6 -94.4 -11.5 16.5 -2.5 43.8 57 62 A N T <5S+ 0 0 128 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.953 72.6 121.7 48.9 55.1 16.1 0.9 42.1 58 63 A H < - 0 0 12 -5,-2.0 -2,-0.2 -6,-0.2 -1,-0.2 -0.933 46.4-159.7-151.0 119.1 14.8 -1.1 39.1 59 64 A H - 0 0 71 -2,-0.3 15,-0.3 15,-0.1 17,-0.2 -0.848 8.4-133.6-118.3 137.8 11.3 -0.4 37.7 60 65 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 13,-0.2 -0.385 13.1-132.7 -77.1 156.8 8.8 -2.3 35.5 61 66 A E E +C 72 0A 61 11,-2.4 11,-3.1 -2,-0.1 2,-0.3 -0.973 48.0 169.2 -96.1 120.1 6.9 -1.1 32.5 62 67 A W E -C 71 0A 87 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.991 32.9-161.4-146.1 147.2 3.5 -2.3 33.4 63 68 A F E -C 70 0A 109 7,-2.2 7,-2.9 -2,-0.3 2,-0.4 -0.959 15.5-174.1-121.0 138.8 -0.2 -2.1 32.4 64 69 A N E +C 69 0A 45 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.998 15.7 169.6-132.3 138.9 -3.1 -3.1 34.6 65 70 A V E > -C 68 0A 87 3,-1.8 3,-2.4 -2,-0.4 2,-0.2 -0.880 69.5 -57.4-142.3 119.1 -6.8 -3.4 34.1 66 71 A Y T 3 S- 0 0 137 -2,-0.3 -28,-0.1 1,-0.3 -23,-0.1 -0.305 126.6 -3.0 52.1-112.3 -8.8 -5.1 36.9 67 72 A N T 3 S+ 0 0 34 -2,-0.2 -31,-2.8 -30,-0.2 2,-0.4 0.460 116.1 90.3 -88.9 -5.2 -7.3 -8.6 37.3 68 73 A K E < -BC 35 65A 68 -3,-2.4 -3,-1.8 -33,-0.2 2,-0.4 -0.807 47.7-178.8-100.1 134.8 -4.7 -8.4 34.5 69 74 A V E -BC 34 64A 0 -35,-2.5 -35,-3.1 -2,-0.4 2,-0.5 -0.981 7.0-165.7-133.2 118.8 -1.1 -7.1 34.8 70 75 A Q E -BC 33 63A 59 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.4 -0.918 12.0-167.8-103.4 127.0 1.2 -7.0 31.8 71 76 A I E -BC 32 62A 0 -39,-2.6 -39,-2.2 -2,-0.5 2,-0.4 -0.977 14.2-173.8-126.3 130.0 4.9 -6.5 32.6 72 77 A T E -BC 31 61A 19 -11,-3.1 -11,-2.4 -2,-0.4 2,-0.4 -0.977 13.7-164.9-116.8 130.7 7.9 -5.6 30.4 73 78 A L E +B 30 0A 0 -43,-2.6 -43,-2.2 -2,-0.4 2,-0.3 -0.965 24.2 132.5-120.3 131.7 11.4 -5.6 32.0 74 79 A T - 0 0 8 -2,-0.4 2,-0.9 -15,-0.3 7,-0.2 -0.944 58.9 -99.7-163.0 165.5 14.6 -4.2 30.7 75 80 A S B >> -D 80 0B 3 5,-1.4 4,-1.9 -47,-0.3 5,-0.8 -0.847 32.8-160.5 -99.0 109.0 17.4 -2.1 32.0 76 81 A H T 45S+ 0 0 103 -2,-0.9 -1,-0.2 1,-0.2 5,-0.0 0.827 86.0 44.7 -65.0 -37.7 16.5 1.4 30.8 77 82 A D T 45S+ 0 0 149 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.828 118.8 43.5 -72.1 -34.1 20.0 3.0 31.1 78 83 A C T 45S- 0 0 35 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.683 95.7-135.7 -84.5 -28.6 21.8 -0.0 29.6 79 84 A G T <5S+ 0 0 56 -4,-1.9 -51,-0.4 1,-0.2 2,-0.3 0.589 75.1 77.1 75.5 11.2 19.5 -0.7 26.6 80 85 A E B > - 0 0 1 -2,-0.3 4,-1.7 -79,-0.1 3,-0.6 -0.733 50.5 -85.6-131.7 178.4 20.7 -7.4 32.8 83 88 A K H 3> S+ 0 0 56 -81,-3.2 4,-2.6 1,-0.2 5,-0.2 0.771 123.8 63.5 -58.2 -27.0 20.9 -9.3 36.1 84 89 A K H 3> S+ 0 0 30 -82,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.911 103.2 47.4 -64.3 -39.7 18.5 -6.7 37.6 85 90 A D H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.891 112.5 49.0 -67.1 -40.8 15.8 -7.8 35.2 86 91 A V H X S+ 0 0 12 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.939 113.0 47.1 -65.6 -44.1 16.4 -11.4 36.0 87 92 A K H X S+ 0 0 121 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.908 113.7 47.2 -63.9 -44.7 16.3 -10.8 39.7 88 93 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.913 111.1 52.0 -65.7 -41.8 13.1 -8.6 39.5 89 94 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 109.4 49.7 -57.3 -42.3 11.4 -11.2 37.3 90 95 A K H X S+ 0 0 107 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.894 111.6 48.5 -65.9 -37.0 12.2 -14.0 39.8 91 96 A F H X S+ 0 0 40 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.941 109.4 53.1 -65.8 -44.3 10.8 -11.8 42.6 92 97 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.904 106.1 53.4 -58.5 -41.8 7.7 -11.1 40.5 93 98 A E H X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.906 109.8 48.0 -58.4 -42.6 7.2 -14.9 40.0 94 99 A K H X S+ 0 0 74 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.916 112.7 48.2 -62.4 -44.6 7.4 -15.4 43.8 95 100 A A H < S+ 0 0 1 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.852 114.5 46.0 -67.1 -36.8 4.9 -12.5 44.5 96 101 A A H >< S+ 0 0 16 -4,-2.5 3,-1.0 -5,-0.2 -1,-0.2 0.872 108.0 56.8 -69.5 -36.0 2.4 -13.8 41.9 97 102 A A H 3< S+ 0 0 85 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.581 99.1 56.1 -78.3 -19.9 2.6 -17.5 43.0 98 103 A S T 3< 0 0 77 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.613 360.0 360.0 -83.7 -16.9 1.5 -17.0 46.5 99 104 A V < 0 0 108 -3,-1.0 -1,-0.2 -4,-0.3 -54,-0.1 -0.893 360.0 360.0 96.8 360.0 -1.6 -15.3 45.0