==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-JUN-09 3HXT . COMPND 2 MOLECULE: 5-FORMYLTETRAHYDROFOLATE CYCLO-LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.WU,Y.LI,G.SONG,C.CHENG,R.ZHANG,A.JOACHIMIAK,N.SHAW,Z.- . 195 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 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-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 . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 26.7 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 1 0 0 0 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 198 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -56.6 42.5 61.1 -7.8 2 2 A A H > + 0 0 81 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.868 360.0 53.1 -61.5 -36.9 41.5 59.6 -4.4 3 3 A A H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 108.7 48.2 -61.5 -45.0 38.0 60.8 -5.3 4 4 A A H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.852 108.1 54.9 -64.8 -35.8 38.2 59.0 -8.7 5 5 A A H X S+ 0 0 63 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.893 109.0 48.0 -66.8 -39.6 39.4 55.8 -6.9 6 6 A V H X S+ 0 0 38 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.948 111.2 50.2 -62.2 -50.5 36.4 55.9 -4.6 7 7 A S H X S+ 0 0 72 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.895 110.6 50.9 -52.5 -45.0 34.1 56.4 -7.7 8 8 A S H X S+ 0 0 48 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.891 108.9 49.9 -60.7 -46.0 35.8 53.4 -9.4 9 9 A A H X S+ 0 0 41 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.914 112.7 47.6 -60.2 -44.6 35.3 51.2 -6.4 10 10 A K H X S+ 0 0 32 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.912 110.8 51.2 -61.7 -46.3 31.6 52.1 -6.2 11 11 A R H X S+ 0 0 151 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.899 111.2 48.2 -58.7 -44.0 31.1 51.6 -9.9 12 12 A S H X S+ 0 0 66 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.952 112.5 47.7 -62.5 -50.5 32.7 48.1 -9.7 13 13 A L H X S+ 0 0 19 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.895 108.4 55.4 -58.0 -43.4 30.5 47.1 -6.7 14 14 A R H X S+ 0 0 55 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.910 109.9 46.9 -55.0 -46.0 27.4 48.4 -8.5 15 15 A G H X S+ 0 0 46 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.946 113.9 46.9 -59.1 -51.3 28.2 46.1 -11.4 16 16 A E H X S+ 0 0 115 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.880 116.9 44.7 -57.3 -42.7 28.8 43.2 -9.0 17 17 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.911 110.3 51.5 -70.2 -46.5 25.6 43.9 -7.1 18 18 A K H < S+ 0 0 105 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.772 106.8 56.6 -65.5 -28.5 23.3 44.5 -10.1 19 19 A Q H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.944 108.1 46.6 -62.4 -51.6 24.5 41.1 -11.5 20 20 A R H < 0 0 96 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 360.0 360.0 -57.8 -43.3 23.4 39.3 -8.3 21 21 A L < 0 0 18 -4,-2.2 -1,-0.2 155,-0.1 -2,-0.2 0.858 360.0 360.0 -66.7 360.0 20.0 41.1 -8.3 22 ! 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 23 24 A M 0 0 61 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 151.9 17.4 36.4 -8.7 24 25 A S > - 0 0 55 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.479 360.0-117.7 -81.9 158.1 14.0 34.8 -9.5 25 26 A A H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.902 116.0 49.6 -58.7 -43.4 10.7 36.7 -9.3 26 27 A E H > S+ 0 0 151 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.866 108.5 51.4 -66.6 -39.0 9.5 34.3 -6.6 27 28 A E H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 108.8 52.5 -64.3 -39.7 12.6 34.6 -4.5 28 29 A R H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 34,-0.4 0.937 112.7 44.4 -58.5 -47.9 12.2 38.4 -4.6 29 30 A L H X S+ 0 0 82 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.899 111.6 53.8 -63.1 -43.1 8.7 38.0 -3.4 30 31 A R H X S+ 0 0 84 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.938 112.6 42.7 -53.3 -50.8 9.7 35.5 -0.7 31 32 A Q H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.833 110.2 56.1 -73.6 -34.0 12.3 37.8 0.7 32 33 A S H X S+ 0 0 6 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.877 105.8 52.8 -62.2 -38.8 10.0 40.8 0.5 33 34 A R H X S+ 0 0 151 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.878 108.2 50.6 -63.7 -39.8 7.5 38.9 2.6 34 35 A V H X S+ 0 0 48 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.919 112.4 46.4 -62.3 -45.6 10.2 38.2 5.3 35 36 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.880 107.2 57.0 -68.2 -37.3 11.1 41.9 5.4 36 37 A S H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.914 108.7 46.9 -59.4 -45.1 7.5 43.1 5.6 37 38 A Q H X S+ 0 0 113 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.919 112.7 49.2 -60.6 -46.1 7.0 41.0 8.8 38 39 A K H < S+ 0 0 80 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.879 114.3 46.6 -59.4 -41.4 10.2 42.3 10.3 39 40 A V H >< S+ 0 0 0 -4,-2.8 3,-1.8 2,-0.2 7,-0.2 0.943 110.1 51.2 -66.1 -50.0 9.2 45.8 9.4 40 41 A I H 3< S+ 0 0 26 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.811 114.0 45.9 -59.1 -30.0 5.6 45.4 10.8 41 42 A A T 3< S+ 0 0 69 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.2 0.488 90.5 114.6 -87.7 -5.0 7.2 44.0 14.1 42 43 A H <> - 0 0 25 -3,-1.8 4,-2.8 -4,-0.3 5,-0.2 -0.499 62.8-142.2 -82.1 132.7 9.8 46.8 14.2 43 44 A S H > S+ 0 0 79 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.871 100.3 48.0 -60.1 -46.5 9.6 49.4 17.1 44 45 A E H > S+ 0 0 79 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.890 114.5 47.4 -64.0 -40.5 10.6 52.5 15.1 45 46 A Y H 4 S+ 0 0 0 -6,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.942 110.7 50.7 -64.9 -49.1 8.1 51.6 12.4 46 47 A Q H < S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.869 115.7 42.9 -57.2 -37.4 5.2 50.9 14.9 47 48 A K H < S+ 0 0 151 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.690 89.2 110.0 -83.1 -20.2 5.9 54.3 16.7 48 49 A S < + 0 0 8 -4,-1.2 3,-0.1 -3,-0.5 -3,-0.0 -0.245 38.5 179.5 -65.8 141.0 6.3 56.4 13.5 49 50 A K S S+ 0 0 141 1,-0.3 27,-2.6 26,-0.1 2,-0.5 0.719 73.7 41.0-107.4 -36.0 3.6 58.9 12.7 50 51 A R E S-a 76 0A 44 25,-0.2 79,-2.6 76,-0.1 80,-1.6 -0.962 77.4-175.5-126.0 114.6 4.9 60.4 9.4 51 52 A I E -ab 77 130A 0 25,-2.8 27,-2.4 -2,-0.5 2,-0.5 -0.878 22.7-156.8-124.7 137.5 6.6 58.0 7.0 52 53 A S E +ab 78 131A 0 78,-2.5 80,-2.8 -2,-0.4 2,-0.3 -0.962 23.5 172.7-108.2 127.5 8.5 58.1 3.7 53 54 A I - 0 0 0 25,-2.6 2,-0.2 -2,-0.5 80,-0.1 -0.988 23.3-130.1-136.7 144.2 8.4 54.9 1.6 54 55 A F - 0 0 5 -2,-0.3 2,-0.5 25,-0.2 9,-0.1 -0.565 18.9-121.0 -91.6 156.2 9.7 54.1 -1.9 55 56 A L - 0 0 17 -2,-0.2 7,-0.1 56,-0.2 2,-0.0 -0.876 45.1-109.0 -98.1 124.0 7.8 52.3 -4.7 56 57 A S - 0 0 14 -2,-0.5 2,-0.1 1,-0.1 6,-0.1 -0.241 23.7-156.4 -73.3 135.4 9.7 49.2 -5.6 57 58 A M > - 0 0 31 4,-0.1 3,-1.3 53,-0.1 -1,-0.1 -0.403 42.7 -97.3 -85.2 177.1 11.7 48.6 -8.8 58 59 A Q T 3 S+ 0 0 140 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 0.686 125.1 52.7 -75.7 -16.2 12.3 45.0 -9.8 59 60 A D T 3 S+ 0 0 24 2,-0.1 2,-0.3 -31,-0.0 -1,-0.3 0.066 103.3 79.3-101.5 21.8 15.8 44.9 -8.2 60 61 A E S < S- 0 0 16 -3,-1.3 113,-0.1 113,-0.1 -28,-0.1 -0.946 93.5 -88.9-128.5 148.9 14.4 46.2 -4.9 61 62 A I - 0 0 1 111,-0.4 2,-0.5 -2,-0.3 -4,-0.1 -0.294 53.4-110.7 -45.5 132.2 12.5 44.7 -1.9 62 63 A E - 0 0 56 -34,-0.4 3,-0.3 1,-0.1 4,-0.2 -0.660 31.4-171.8 -77.1 118.7 8.8 44.9 -2.7 63 64 A T > + 0 0 1 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.376 55.3 105.3 -90.8 2.6 7.1 47.5 -0.4 64 65 A E H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 81.3 46.7 -52.3 -48.1 3.5 46.8 -1.4 65 66 A E H > S+ 0 0 75 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.900 112.3 49.9 -63.3 -41.8 2.6 44.9 1.8 66 67 A I H > S+ 0 0 0 -4,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.906 107.5 54.9 -63.7 -43.6 4.2 47.6 4.1 67 68 A I H X S+ 0 0 8 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.907 106.7 50.8 -55.2 -44.6 2.3 50.4 2.2 68 69 A K H X S+ 0 0 107 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.909 113.1 46.3 -57.2 -43.1 -1.0 48.6 2.9 69 70 A D H X S+ 0 0 27 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.873 104.6 60.5 -70.5 -39.5 -0.1 48.4 6.6 70 71 A I H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 -1,-0.2 0.920 109.5 43.0 -52.1 -48.5 1.1 52.0 6.8 71 72 A F H ><5S+ 0 0 44 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.861 110.2 56.0 -71.1 -34.0 -2.5 53.1 5.8 72 73 A Q H 3<5S+ 0 0 151 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.832 107.2 50.0 -62.2 -35.5 -4.0 50.5 8.2 73 74 A R T 3<5S- 0 0 105 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.295 116.3-118.6 -85.3 8.7 -2.0 52.1 11.1 74 75 A G T < 5 + 0 0 60 -3,-1.3 -3,-0.2 1,-0.2 2,-0.1 0.767 57.3 159.9 58.9 30.0 -3.3 55.5 10.0 75 76 A K < - 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0 0 36 1,-0.1 4,-0.6 -19,-0.1 3,-0.5 -0.960 68.1-111.2-164.4 159.5 -4.4 55.5 -0.1 97 98 A P T >4 S+ 0 0 33 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.866 116.5 60.2 -62.9 -34.2 -2.5 52.5 -1.6 98 99 A E G >4 S+ 0 0 136 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.749 91.0 66.7 -66.7 -29.4 -5.1 52.5 -4.5 99 100 A E G >> S+ 0 0 39 -3,-0.5 3,-1.9 1,-0.2 4,-0.7 0.857 89.4 67.6 -55.5 -37.9 -4.1 56.1 -5.6 100 101 A I G X< S+ 0 0 25 -3,-0.8 3,-1.0 -4,-0.6 -1,-0.2 0.843 91.5 60.7 -54.7 -37.9 -0.6 54.7 -6.6 101 102 A S G <4 S+ 0 0 105 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.677 104.1 49.0 -65.3 -21.2 -2.2 52.7 -9.4 102 103 A L G <4 S+ 0 0 154 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.565 87.6 109.0 -95.8 -10.7 -3.5 55.9 -11.1 103 104 A L S << S- 0 0 17 -3,-1.0 2,-0.1 -4,-0.7 -3,-0.0 -0.290 74.1-110.9 -68.1 148.0 -0.3 57.9 -11.0 104 105 A P - 0 0 70 0, 0.0 8,-2.2 0, 0.0 2,-0.3 -0.378 38.4-128.5 -66.7 160.0 1.8 58.6 -14.1 105 106 A K B -G 111 0B 124 6,-0.2 2,-0.1 -2,-0.1 9,-0.0 -0.823 9.2-127.3-118.3 156.3 5.1 56.8 -14.2 106 107 A T > - 0 0 23 4,-2.4 3,-2.6 -2,-0.3 -1,-0.1 -0.276 42.2 -89.0 -88.5 176.8 8.7 57.8 -14.8 107 108 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.591 131.1 59.9 -60.8 -11.1 11.3 56.5 -17.2 108 109 A W T 3 S- 0 0 89 2,-0.2 -1,-0.3 -51,-0.0 -3,-0.0 0.376 118.7-116.2 -91.8 2.8 12.2 54.1 -14.4 109 110 A N S < S+ 0 0 115 -3,-2.6 -2,-0.1 1,-0.3 -4,-0.0 0.781 72.7 136.3 60.6 31.4 8.5 52.8 -14.6 110 111 A I - 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