==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-FEB-07 2EBB . COMPND 2 MOLECULE: PTERIN-4-ALPHA-CARBINOLAMINE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR T.S.KUMAREVEL,P.KARTHE,S.KURAMITSU,S.YOKOYAMA,RIKEN . 96 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 78.1 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 . 19 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 9 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 1 0 0 0 0 0 0 0 2 0 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 0 1 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 3 A M 0 0 124 0, 0.0 78,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 112.2 44.5 27.0 -3.8 2 4 A R - 0 0 133 72,-0.2 76,-0.2 76,-0.1 2,-0.1 -0.466 360.0-119.8 -70.2 134.5 43.4 24.5 -1.2 3 5 A L - 0 0 24 74,-3.1 74,-0.3 -2,-0.2 -1,-0.1 -0.459 26.7-119.6 -73.8 144.5 39.6 24.2 -0.7 4 6 A T > - 0 0 67 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.302 29.7-100.4 -78.4 168.3 38.2 25.0 2.7 5 7 A E H > S+ 0 0 136 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 125.4 48.1 -54.5 -46.0 36.3 22.5 4.8 6 8 A E H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 111.6 49.4 -63.2 -41.0 33.0 24.1 3.7 7 9 A E H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.878 110.5 50.8 -66.8 -37.8 34.0 24.2 0.1 8 10 A V H X S+ 0 0 14 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.930 109.7 49.4 -65.2 -45.7 35.0 20.5 0.2 9 11 A Q H X S+ 0 0 119 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.889 111.1 50.7 -61.3 -39.4 31.7 19.5 1.8 10 12 A A H X S+ 0 0 48 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.912 113.6 43.6 -65.5 -43.6 29.8 21.4 -0.9 11 13 A L H >< S+ 0 0 39 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.873 111.1 55.0 -70.7 -37.9 31.7 19.8 -3.8 12 14 A L H >< S+ 0 0 28 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 0.861 98.1 62.0 -65.7 -33.2 31.5 16.3 -2.3 13 15 A E H 3< S+ 0 0 170 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 108.0 44.8 -64.4 -22.5 27.7 16.5 -2.0 14 16 A K T << S+ 0 0 155 -3,-0.8 2,-0.6 -4,-0.6 -1,-0.3 0.309 97.4 81.6-100.6 6.5 27.6 16.8 -5.8 15 17 A A S X S- 0 0 12 -3,-1.7 3,-1.8 -4,-0.1 -1,-0.1 -0.733 71.5-155.9-114.7 81.8 30.1 14.0 -6.4 16 18 A D T 3 S+ 0 0 137 -2,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.287 77.7 17.2 -58.2 136.1 28.3 10.7 -6.2 17 19 A G T 3 S+ 0 0 32 1,-0.2 12,-0.5 11,-0.0 2,-0.4 0.129 98.1 112.1 89.9 -21.5 30.6 7.8 -5.3 18 20 A W < - 0 0 5 -3,-1.8 2,-0.4 -6,-0.2 -1,-0.2 -0.739 47.2-169.5 -90.5 132.2 33.4 10.0 -4.1 19 21 A K E -A 27 0A 134 8,-2.5 8,-2.6 -2,-0.4 2,-0.2 -0.952 25.4-116.7-125.2 141.1 34.1 9.8 -0.4 20 22 A L E +A 26 0A 89 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.532 45.4 169.9 -70.9 135.2 36.3 12.0 1.9 21 23 A A E >> +A 25 0A 29 4,-2.8 4,-2.1 -2,-0.2 3,-0.6 -0.989 51.2 14.2-147.8 155.1 39.1 9.8 3.3 22 24 A D T 34 S- 0 0 105 -2,-0.3 2,-1.7 1,-0.3 -1,-0.1 0.849 116.2 -80.2 48.1 38.4 42.3 10.2 5.3 23 25 A E T 34 S+ 0 0 161 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 -0.005 127.3 36.7 64.5 -31.0 41.2 13.8 6.1 24 26 A R T <4 S+ 0 0 90 -2,-1.7 2,-0.3 -3,-0.6 47,-0.3 0.130 97.1 83.6-140.7 26.6 42.3 15.3 2.8 25 27 A W E < -A 21 0A 83 -4,-2.1 -4,-2.8 45,-0.1 2,-0.5 -0.921 58.6-142.6-128.2 153.1 41.6 12.8 -0.0 26 28 A I E -AB 20 69A 0 43,-2.1 43,-2.7 -2,-0.3 2,-0.4 -0.964 24.2-167.6-114.7 135.3 38.6 11.9 -2.1 27 29 A V E -AB 19 68A 20 -8,-2.6 -8,-2.5 -2,-0.5 2,-0.4 -0.975 10.0-178.8-128.2 138.8 38.2 8.2 -2.9 28 30 A K E - B 0 67A 31 39,-2.3 39,-2.7 -2,-0.4 2,-0.5 -0.993 17.3-144.6-137.7 143.9 36.0 6.3 -5.3 29 31 A K E - B 0 66A 128 -12,-0.5 2,-0.5 -2,-0.4 37,-0.2 -0.929 13.0-166.2-109.3 125.3 35.6 2.6 -6.1 30 32 A Y E - B 0 65A 1 35,-3.2 35,-2.8 -2,-0.5 2,-0.4 -0.958 8.3-157.1-113.5 118.5 34.9 1.7 -9.7 31 33 A R E - B 0 64A 142 -2,-0.5 2,-0.3 33,-0.2 33,-0.2 -0.777 7.6-166.7-100.2 140.3 33.7 -1.9 -10.3 32 34 A F - 0 0 16 31,-2.3 3,-0.1 -2,-0.4 31,-0.1 -0.847 26.5-145.3-122.3 157.3 34.0 -3.7 -13.6 33 35 A Q S S+ 0 0 167 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.675 94.1 48.9 -90.6 -21.4 32.5 -6.9 -15.0 34 36 A D S >> S- 0 0 80 1,-0.1 4,-1.6 29,-0.1 3,-0.6 -0.981 73.8-145.4-124.2 126.6 35.7 -7.6 -16.9 35 37 A Y H 3> S+ 0 0 100 -2,-0.4 4,-1.5 1,-0.2 3,-0.3 0.900 102.0 49.0 -54.6 -47.7 39.2 -7.5 -15.4 36 38 A L H 3> S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.748 105.5 58.7 -68.0 -22.1 40.9 -6.2 -18.5 37 39 A Q H <> S+ 0 0 87 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.867 103.0 53.0 -72.0 -36.3 38.2 -3.5 -18.8 38 40 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.897 109.2 49.7 -62.7 -38.8 39.2 -2.3 -15.4 39 41 A I H X S+ 0 0 57 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.892 107.9 52.4 -65.8 -40.8 42.8 -2.1 -16.7 40 42 A E H X S+ 0 0 43 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.880 107.4 53.2 -63.0 -37.6 41.6 -0.2 -19.8 41 43 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.934 108.8 49.2 -61.7 -46.6 39.9 2.3 -17.5 42 44 A V H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.917 109.0 52.7 -59.6 -43.2 43.2 2.7 -15.6 43 45 A R H X S+ 0 0 147 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.927 112.4 45.7 -59.1 -44.5 45.0 3.3 -18.9 44 46 A R H X S+ 0 0 96 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.917 114.2 44.3 -68.2 -45.3 42.6 6.0 -19.9 45 47 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.795 110.0 57.5 -73.0 -23.2 42.4 7.9 -16.6 46 48 A A H X S+ 0 0 43 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.915 106.1 49.6 -69.1 -41.9 46.2 7.7 -16.3 47 49 A A H X S+ 0 0 59 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.923 111.6 48.6 -61.4 -44.7 46.6 9.4 -19.6 48 50 A I H X S+ 0 0 43 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.899 112.4 49.6 -61.2 -41.5 44.2 12.2 -18.5 49 51 A S H <>S+ 0 0 1 -4,-2.1 5,-2.3 2,-0.2 4,-0.4 0.896 108.4 51.8 -65.5 -42.5 46.1 12.5 -15.3 50 52 A E H ><5S+ 0 0 109 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.892 109.4 49.9 -62.9 -40.0 49.5 12.8 -17.0 51 53 A N H 3<5S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.810 112.0 48.6 -68.5 -29.1 48.2 15.6 -19.3 52 54 A A T 3<5S- 0 0 31 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.449 106.2-130.2 -88.5 -1.1 46.8 17.4 -16.2 53 55 A N T < 5S+ 0 0 126 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.2 0.900 76.7 111.7 51.4 42.8 50.2 17.0 -14.4 54 56 A H < - 0 0 24 -5,-2.3 -2,-0.2 -6,-0.1 -1,-0.2 -0.854 52.1-162.8-149.2 105.3 48.1 15.7 -11.5 55 57 A H - 0 0 112 -2,-0.3 15,-0.2 -5,-0.1 2,-0.1 -0.799 2.6-154.9-103.1 129.6 48.4 12.0 -10.6 56 58 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 13,-0.2 -0.379 28.3-106.8 -87.9 168.5 45.9 10.0 -8.4 57 59 A F E -C 68 0A 114 11,-2.7 11,-2.8 -2,-0.1 2,-0.4 -0.848 42.1-168.8 -93.4 135.6 46.8 6.9 -6.4 58 60 A I E -C 67 0A 46 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.992 11.6-173.8-130.6 135.0 45.2 3.9 -8.1 59 61 A S E -C 66 0A 41 7,-2.3 7,-2.4 -2,-0.4 2,-0.6 -0.973 11.6-154.2-127.4 145.3 44.8 0.3 -6.9 60 62 A I E +C 65 0A 69 -2,-0.4 2,-0.9 5,-0.2 5,-0.2 -0.921 13.9 175.8-122.2 102.0 43.6 -2.7 -8.8 61 63 A D E > -C 64 0A 119 3,-2.8 3,-2.3 -2,-0.6 2,-0.2 -0.832 66.6 -76.0-106.9 87.6 42.0 -5.4 -6.6 62 64 A Y T 3 S- 0 0 148 -2,-0.9 -1,-0.1 1,-0.3 -24,-0.0 -0.381 116.9 -5.0 54.6-117.2 40.9 -7.8 -9.3 63 65 A K T 3 S+ 0 0 61 -2,-0.2 -31,-2.3 -3,-0.1 2,-0.6 0.335 119.7 88.8 -88.0 8.0 37.7 -6.2 -10.8 64 66 A L E < -BC 31 61A 26 -3,-2.3 -3,-2.8 -33,-0.2 2,-0.5 -0.927 57.2-167.8-111.8 116.6 37.7 -3.3 -8.2 65 67 A I E -BC 30 60A 0 -35,-2.8 -35,-3.2 -2,-0.6 2,-0.5 -0.897 4.3-162.0-103.6 123.5 39.6 -0.2 -9.1 66 68 A T E -BC 29 59A 5 -7,-2.4 -7,-2.3 -2,-0.5 2,-0.4 -0.919 4.9-167.8-107.9 129.5 40.1 2.3 -6.3 67 69 A V E -BC 28 58A 0 -39,-2.7 -39,-2.3 -2,-0.5 2,-0.5 -0.972 2.3-170.9-119.9 129.3 41.1 5.9 -7.2 68 70 A K E -BC 27 57A 63 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.4 -0.981 5.6-168.4-124.5 124.8 42.3 8.4 -4.7 69 71 A L E +B 26 0A 0 -43,-2.7 -43,-2.1 -2,-0.5 2,-0.3 -0.882 20.4 134.7-117.0 145.6 42.8 12.1 -5.4 70 72 A S - 0 0 13 -2,-0.4 2,-0.6 -45,-0.2 7,-0.2 -0.935 47.8-114.4-172.2 163.6 44.5 15.0 -3.6 71 73 A S B >>> -D 76 0B 9 5,-2.2 5,-1.9 -47,-0.3 4,-0.9 -0.893 20.5-171.6-114.8 101.4 46.9 17.9 -4.3 72 74 A W T 345S+ 0 0 192 -2,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.857 86.5 54.8 -61.0 -35.5 50.2 17.4 -2.6 73 75 A R T 345S+ 0 0 196 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.803 113.6 41.4 -68.2 -28.8 51.4 20.9 -3.5 74 76 A A T <45S- 0 0 25 -3,-0.6 -1,-0.2 2,-0.3 -2,-0.2 0.478 108.3-126.2 -94.9 -5.7 48.3 22.5 -2.0 75 77 A K T <5S+ 0 0 152 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.858 80.8 13.8 61.3 38.8 48.4 20.2 1.0 76 78 A G B > - 0 0 15 -2,-0.2 4,-1.2 -76,-0.2 3,-0.8 -0.812 43.9 -99.9-128.0 169.1 41.7 21.6 -4.9 79 81 A K H 3> S+ 0 0 109 -78,-0.5 4,-2.1 -2,-0.3 3,-0.2 0.877 120.9 63.6 -57.6 -36.5 39.1 22.3 -7.5 80 82 A L H 3> S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.854 96.2 57.3 -57.0 -38.0 41.3 20.3 -9.9 81 83 A D H <> S+ 0 0 0 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.935 110.4 42.9 -59.6 -45.9 40.8 17.2 -7.8 82 84 A F H X S+ 0 0 9 -4,-1.2 4,-1.6 -3,-0.2 -1,-0.2 0.818 112.5 53.8 -71.0 -29.2 37.0 17.5 -8.2 83 85 A D H X S+ 0 0 63 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.926 111.1 45.4 -69.1 -43.1 37.3 18.3 -11.9 84 86 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.869 107.2 59.4 -66.5 -36.0 39.4 15.2 -12.5 85 87 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.913 108.0 45.3 -58.6 -42.9 36.9 13.2 -10.4 86 88 A K H X S+ 0 0 136 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.883 111.3 53.0 -68.1 -38.1 34.2 14.2 -12.9 87 89 A Q H X S+ 0 0 84 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.897 110.4 47.0 -64.2 -40.5 36.5 13.4 -15.8 88 90 A Y H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.905 109.7 54.0 -67.5 -39.5 37.1 9.9 -14.5 89 91 A D H X S+ 0 0 24 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.901 106.7 52.9 -59.2 -40.5 33.4 9.5 -13.9 90 92 A E H X S+ 0 0 104 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.903 107.8 49.4 -62.0 -43.9 32.8 10.4 -17.5 91 93 A V H X S+ 0 0 20 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.946 112.3 49.1 -60.3 -47.9 35.3 7.7 -18.7 92 94 A Y H X S+ 0 0 40 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.901 111.2 49.0 -58.4 -44.8 33.6 5.1 -16.5 93 95 A N H < S+ 0 0 81 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.852 110.5 50.6 -66.4 -35.0 30.1 6.0 -17.7 94 96 A Q H < S+ 0 0 133 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.913 112.7 46.3 -68.7 -42.2 31.2 5.9 -21.4 95 97 A M H < 0 0 36 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.882 360.0 360.0 -67.4 -39.4 32.7 2.4 -20.9 96 98 A K < 0 0 168 -4,-2.3 -64,-0.0 -5,-0.2 0, 0.0 -0.222 360.0 360.0 -70.5 360.0 29.7 1.1 -19.0