==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-JUN-09 3HXA . COMPND 2 MOLECULE: PTERIN-4-ALPHA-CARBINOLAMINE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.Y.RHO,C.N.JONES,R.B.ROSE . 796 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34498.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 582 73.1 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 . 168 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 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 . 8 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 . 35 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 5 0 0 5 0 0 0 0 2 1 3 2 3 0 8 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 . 8 8 0 0 12 8 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 4 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 5 A A 0 0 71 0, 0.0 2,-0.4 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 -40.3 56.4 35.2 49.0 2 6 A H - 0 0 104 78,-0.0 81,-0.4 3,-0.0 76,-0.1 -0.983 360.0-113.7-132.4 138.6 55.0 33.8 52.3 3 7 A R - 0 0 132 -2,-0.4 79,-0.2 75,-0.2 2,-0.1 -0.339 44.5 -97.5 -64.5 139.7 51.9 31.7 53.1 4 8 A L - 0 0 5 77,-3.1 -1,-0.1 1,-0.1 77,-0.1 -0.351 37.0-135.0 -62.7 133.1 49.3 33.4 55.3 5 9 A S > - 0 0 56 -2,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.075 30.5 -96.2 -75.7-177.1 49.4 32.7 59.0 6 10 A A H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.898 126.2 47.2 -69.3 -40.7 46.4 31.8 61.1 7 11 A E H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.927 111.3 50.0 -66.1 -47.0 46.0 35.4 62.3 8 12 A E H > S+ 0 0 45 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.905 109.9 52.1 -58.8 -42.3 46.4 36.8 58.8 9 13 A R H X S+ 0 0 36 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.875 111.3 46.3 -62.7 -38.3 43.8 34.4 57.5 10 14 A D H < S+ 0 0 112 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 119.0 41.4 -73.1 -32.6 41.3 35.5 60.3 11 15 A Q H < S+ 0 0 73 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.654 121.9 37.7 -89.7 -16.4 42.0 39.2 59.6 12 16 A L H < S+ 0 0 53 -4,-2.1 4,-0.3 -5,-0.2 -3,-0.2 0.690 106.5 58.1-109.7 -21.1 42.1 39.1 55.8 13 17 A L S X S+ 0 0 3 -4,-1.6 4,-3.4 -5,-0.3 5,-0.3 0.651 81.3 84.1 -87.3 -15.2 39.4 36.7 54.6 14 18 A P H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.954 91.9 44.8 -52.3 -62.4 36.3 38.2 56.2 15 19 A N H 4 S+ 0 0 77 1,-0.2 4,-0.4 2,-0.2 -2,-0.1 0.802 119.1 48.3 -53.6 -27.5 35.4 40.8 53.6 16 20 A L H >4>S+ 0 0 6 -4,-0.3 5,-2.3 -3,-0.3 3,-1.0 0.923 110.4 45.7 -80.5 -47.4 36.1 38.0 51.0 17 21 A R H ><5S+ 0 0 97 -4,-3.4 3,-1.6 1,-0.3 -2,-0.2 0.881 107.9 61.2 -62.8 -35.4 34.1 35.2 52.6 18 22 A A T 3<5S+ 0 0 50 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.738 106.5 45.9 -63.2 -22.7 31.2 37.7 53.1 19 23 A V T < 5S- 0 0 19 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.275 133.1 -81.9-105.2 11.1 31.1 38.2 49.3 20 24 A G T < 5S+ 0 0 34 -3,-1.6 2,-0.3 1,-0.3 13,-0.3 0.432 81.0 135.6 110.9 -4.3 31.2 34.6 48.3 21 25 A W < - 0 0 2 -5,-2.3 2,-0.3 -8,-0.1 -1,-0.3 -0.619 29.2-176.6 -80.5 139.4 34.9 33.5 48.4 22 26 A N E -A 31 0A 105 9,-2.3 9,-3.1 -2,-0.3 2,-0.3 -0.980 27.1-114.5-136.0 147.2 35.5 30.1 50.0 23 27 A E E -A 30 0A 88 -2,-0.3 7,-0.3 7,-0.3 5,-0.1 -0.585 35.1-119.7 -79.9 140.9 38.7 28.1 50.8 24 28 A L - 0 0 57 5,-2.9 5,-0.2 -2,-0.3 -1,-0.1 -0.310 12.1-137.4 -73.7 165.0 39.1 24.9 48.9 25 29 A E S S+ 0 0 203 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.853 96.2 42.2 -93.4 -39.7 39.3 21.6 50.9 26 30 A G S S+ 0 0 83 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.543 122.3 26.1 -86.5 -6.8 42.1 19.7 49.1 27 31 A R S S- 0 0 102 2,-0.2 2,-1.3 53,-0.0 -3,-0.2 -0.977 84.8-100.3-151.2 161.0 44.4 22.7 48.7 28 32 A D S S+ 0 0 26 -2,-0.3 2,-0.3 51,-0.2 47,-0.3 -0.709 80.5 101.2 -87.1 93.0 45.3 26.1 50.2 29 33 A A - 0 0 0 -2,-1.3 -5,-2.9 -5,-0.2 2,-0.3 -0.969 63.3-120.8-165.4 159.6 43.4 28.4 47.8 30 34 A I E -AB 23 73A 2 43,-2.1 43,-2.9 -2,-0.3 2,-0.3 -0.859 25.0-164.6-113.8 149.9 40.2 30.4 47.6 31 35 A F E +AB 22 72A 69 -9,-3.1 -9,-2.3 -2,-0.3 2,-0.3 -0.955 12.0 169.9-134.7 150.6 37.4 30.0 45.0 32 36 A K E - B 0 71A 29 39,-2.2 39,-3.0 -2,-0.3 2,-0.5 -0.941 23.5-138.9-160.9 138.1 34.4 32.0 43.8 33 37 A Q E - B 0 70A 55 -2,-0.3 2,-0.4 -13,-0.3 37,-0.2 -0.838 19.4-158.9 -98.5 131.6 32.0 31.8 40.9 34 38 A F E - B 0 69A 12 35,-3.0 35,-2.6 -2,-0.5 2,-0.4 -0.911 3.2-163.9-112.1 141.1 31.0 35.0 39.2 35 39 A H E - B 0 68A 86 -2,-0.4 2,-0.2 33,-0.2 33,-0.2 -0.988 9.7-179.3-127.7 123.3 27.9 35.4 37.1 36 40 A F - 0 0 19 31,-2.7 31,-0.1 -2,-0.4 64,-0.1 -0.674 40.9-108.2-114.5 171.4 27.3 38.3 34.7 37 41 A K S S- 0 0 69 62,-0.3 2,-0.3 -2,-0.2 30,-0.1 0.889 93.5 -16.9 -66.3 -38.5 24.5 39.3 32.4 38 42 A D S > S- 0 0 38 29,-0.1 4,-2.0 28,-0.1 -1,-0.1 -0.877 72.0 -88.9-153.6-176.7 26.4 38.3 29.3 39 43 A F H > S+ 0 0 0 -2,-0.3 4,-3.6 2,-0.2 5,-0.4 0.824 116.4 64.7 -72.1 -34.5 29.8 37.5 27.7 40 44 A N H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.941 112.0 35.9 -55.1 -45.7 30.5 41.1 26.9 41 45 A R H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.884 116.1 55.1 -74.1 -39.5 30.5 41.9 30.6 42 46 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.933 114.3 39.1 -60.9 -45.6 32.2 38.6 31.5 43 47 A F H X S+ 0 0 4 -4,-3.6 4,-2.7 2,-0.2 -1,-0.2 0.813 111.5 57.0 -76.8 -27.5 35.1 39.2 29.2 44 48 A G H X S+ 0 0 0 -4,-1.5 4,-1.9 -5,-0.4 -1,-0.2 0.908 108.8 49.2 -64.7 -38.5 35.3 42.9 30.0 45 49 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.944 111.0 48.4 -62.3 -50.5 35.7 41.7 33.6 46 50 A M H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.890 107.8 56.0 -60.6 -37.7 38.4 39.2 32.5 47 51 A S H X S+ 0 0 4 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.902 109.4 45.0 -62.1 -42.1 40.2 41.9 30.5 48 52 A R H X S+ 0 0 9 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.899 114.9 47.8 -70.1 -37.3 40.5 44.2 33.5 49 53 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.895 108.8 55.6 -68.8 -36.5 41.6 41.4 35.8 50 54 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.900 105.5 51.4 -61.7 -42.3 44.2 40.3 33.1 51 55 A L H X S+ 0 0 3 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.914 112.1 46.0 -61.1 -42.9 45.7 43.8 33.1 52 56 A Q H X S+ 0 0 25 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.828 106.9 59.5 -70.3 -31.1 46.1 43.7 36.9 53 57 A A H X>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 4,-1.6 0.913 109.6 42.5 -63.1 -41.5 47.5 40.2 36.7 54 58 A E H <5S+ 0 0 12 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.859 111.9 54.5 -73.8 -34.0 50.4 41.3 34.6 55 59 A K H <5S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.912 122.5 29.1 -64.0 -40.3 50.8 44.5 36.7 56 60 A L H <5S- 0 0 76 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.561 101.0-129.6 -95.8 -11.3 51.2 42.3 39.8 57 61 A D T <5S+ 0 0 112 -4,-1.6 2,-0.3 -5,-0.2 -3,-0.2 0.953 71.8 118.2 57.5 50.7 52.6 39.2 38.1 58 62 A H < - 0 0 12 -5,-1.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.915 47.5-162.0-148.1 115.4 50.0 37.1 39.9 59 63 A H - 0 0 30 -2,-0.3 15,-0.3 15,-0.1 2,-0.1 -0.782 10.4-128.8-110.5 148.2 47.6 35.1 37.7 60 64 A P - 0 0 0 0, 0.0 2,-0.7 0, 0.0 107,-0.6 -0.429 13.8-130.2 -87.1 161.4 44.2 33.5 38.3 61 65 A E E +CD 72 166A 43 11,-2.2 11,-2.9 105,-0.2 2,-0.4 -0.973 47.4 170.5-105.4 113.4 43.1 30.0 37.5 62 66 A W E -CD 71 165A 2 103,-2.6 103,-2.7 -2,-0.7 2,-0.4 -0.990 31.8-160.7-140.2 146.2 39.8 30.7 35.7 63 67 A F E -CD 70 164A 64 7,-2.1 7,-2.9 -2,-0.4 2,-0.4 -0.956 15.9-170.1-117.6 134.0 37.1 28.9 33.7 64 68 A N E +CD 69 163A 0 99,-3.2 99,-2.6 -2,-0.4 2,-0.3 -0.986 16.9 170.5-131.0 136.1 34.7 30.8 31.5 65 69 A V E > -CD 68 162A 46 3,-1.9 3,-2.1 -2,-0.4 2,-0.4 -0.872 68.7 -63.9-142.2 102.7 31.6 29.8 29.7 66 70 A Y T 3 S+ 0 0 89 95,-0.7 -28,-0.1 -2,-0.3 -23,-0.1 -0.344 125.1 1.3 57.0-107.3 29.7 32.7 28.2 67 71 A N T 3 S+ 0 0 54 -2,-0.4 -31,-2.7 -30,-0.1 2,-0.4 0.431 117.3 85.8 -92.1 1.0 28.5 34.8 31.2 68 72 A K E < -BC 35 65A 19 -3,-2.1 -3,-1.9 -33,-0.2 2,-0.4 -0.855 49.2-176.9-109.4 139.4 30.0 32.7 33.9 69 73 A V E -BC 34 64A 0 -35,-2.6 -35,-3.0 -2,-0.4 2,-0.6 -0.960 8.3-162.3-135.4 115.9 33.6 32.9 35.3 70 74 A H E -BC 33 63A 67 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.4 -0.865 15.4-164.8 -98.3 124.3 34.9 30.5 38.0 71 75 A I E -BC 32 62A 0 -39,-3.0 -39,-2.2 -2,-0.6 2,-0.4 -0.929 14.6-176.9-119.4 133.6 38.0 31.8 39.7 72 76 A T E -BC 31 61A 20 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.4 -0.984 11.5-164.8-123.0 132.3 40.5 30.0 41.9 73 77 A L E +B 30 0A 0 -43,-2.9 -43,-2.1 -2,-0.4 2,-0.3 -0.972 22.3 136.8-125.5 131.8 43.4 31.9 43.6 74 78 A S - 0 0 26 -2,-0.4 2,-0.6 -15,-0.3 7,-0.2 -0.966 47.1-111.4-161.4 156.7 46.6 30.6 45.2 75 79 A T B > -H 80 0B 0 5,-2.6 5,-2.1 -2,-0.3 4,-0.5 -0.867 16.0-165.5-102.5 118.1 50.3 31.5 45.2 76 80 A H T > 5S+ 0 0 97 -2,-0.6 3,-0.8 1,-0.2 -1,-0.2 0.878 85.4 64.5 -65.9 -39.3 52.7 29.1 43.5 77 81 A E T 3 5S+ 0 0 127 1,-0.3 -1,-0.2 2,-0.1 -74,-0.1 0.831 119.5 22.6 -55.3 -36.7 55.8 30.6 45.1 78 82 A C T 3 5S- 0 0 24 -3,-0.4 -1,-0.3 2,-0.3 -2,-0.2 0.263 106.0-120.0-115.3 10.0 54.7 29.7 48.6 79 83 A A T < 5S+ 0 0 75 -3,-0.8 2,-0.3 -4,-0.5 -51,-0.2 0.889 82.8 32.9 53.6 47.8 52.4 26.8 47.7 80 84 A G B > - 0 0 2 -79,-0.2 3,-1.4 -2,-0.2 4,-1.3 -0.816 55.8 -89.5-136.7 174.5 49.4 34.7 50.4 83 87 A E H 3> S+ 0 0 91 -81,-0.4 4,-3.1 1,-0.3 5,-0.2 0.756 121.3 69.7 -60.2 -23.5 48.6 38.4 50.4 84 88 A R H 3> S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.862 101.5 46.1 -62.5 -33.2 48.9 38.4 46.6 85 89 A D H <> S+ 0 0 0 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.873 111.4 50.2 -75.7 -38.9 45.7 36.4 46.6 86 90 A I H X S+ 0 0 10 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.942 113.6 47.3 -63.1 -46.7 44.0 38.7 49.1 87 91 A N H X S+ 0 0 90 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.901 114.3 44.5 -62.8 -44.5 45.0 41.7 47.0 88 92 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 -5,-0.2 -1,-0.2 0.907 112.7 51.0 -69.9 -40.0 43.9 40.2 43.6 89 93 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.913 110.6 50.4 -62.3 -40.2 40.6 38.9 45.0 90 94 A S H X S+ 0 0 50 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.897 112.1 46.6 -63.9 -40.5 39.9 42.3 46.4 91 95 A F H X S+ 0 0 24 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.912 108.6 56.5 -67.5 -40.7 40.7 43.9 43.1 92 96 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.891 104.7 52.1 -57.3 -41.0 38.5 41.3 41.3 93 97 A E H X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.906 107.4 52.4 -63.3 -40.7 35.6 42.3 43.5 94 98 A Q H X S+ 0 0 98 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.915 111.9 45.7 -61.9 -42.7 36.0 46.0 42.6 95 99 A V H >X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.5 0.919 106.2 58.6 -66.3 -43.7 36.0 45.1 38.9 96 100 A A H 3< S+ 0 0 17 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.815 102.4 56.6 -55.9 -31.3 33.0 42.8 39.2 97 101 A V H 3< S+ 0 0 24 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.898 103.7 51.2 -67.1 -41.6 31.1 45.9 40.6 98 102 A S H << S+ 0 0 11 -4,-1.1 2,-0.2 -3,-0.5 -1,-0.2 0.607 98.9 70.5 -71.4 -12.4 31.8 47.9 37.4 99 103 A M < 0 0 1 -4,-0.8 -62,-0.3 -3,-0.4 -1,-0.3 -0.288 360.0 360.0-101.3 47.9 30.5 45.0 35.4 100 104 A T 0 0 81 -3,-0.5 -3,-0.1 -2,-0.2 -2,-0.1 -0.184 360.0 360.0 72.5 360.0 26.8 45.4 36.3 101 !* 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 0.0 102 5 B A 0 0 56 0, 0.0 2,-0.4 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 129.1 22.0 24.8 14.2 103 6 B H - 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