==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHELATASE 12-JAN-04 1UUX . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS CNX1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.KUPER,A.LLAMAS,H.J.HECHT,R.R.MENDEL,G.SCHWARZ . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8080.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.6 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 0 0 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 119 0, 0.0 4,-0.1 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 176.3 5.5 130.5 172.0 2 4 A P - 0 0 35 0, 0.0 3,-0.2 0, 0.0 40,-0.1 -0.231 360.0-113.1 -76.6 166.2 7.0 129.7 168.6 3 5 A E S S+ 0 0 135 38,-0.8 2,-0.5 1,-0.2 39,-0.2 0.908 110.3 31.0 -61.4 -42.3 5.3 128.4 165.5 4 6 A Y E S-a 42 0A 18 37,-2.4 39,-2.0 67,-0.0 2,-0.6 -0.975 77.7-146.9-125.9 126.7 7.3 125.2 166.0 5 7 A K E -a 43 0A 68 -2,-0.5 66,-2.6 64,-0.2 67,-1.9 -0.777 18.6-166.9 -92.1 120.8 8.4 123.8 169.3 6 8 A V E -ab 44 72A 0 37,-2.7 39,-2.6 -2,-0.6 40,-1.1 -0.879 6.0-170.4-111.4 139.8 11.8 122.0 169.2 7 9 A A E -ab 46 73A 0 65,-2.5 67,-2.2 -2,-0.4 2,-0.5 -0.974 9.4-150.8-128.4 141.8 13.2 119.8 171.9 8 10 A I E -ab 47 74A 0 38,-2.0 40,-1.9 -2,-0.4 2,-0.6 -0.969 6.0-164.7-120.0 122.2 16.8 118.4 172.0 9 11 A L E -ab 48 75A 0 65,-2.7 67,-2.5 -2,-0.5 2,-0.5 -0.920 5.9-157.1-108.6 112.8 17.6 115.1 173.7 10 12 A T E -ab 49 76A 7 38,-3.0 40,-2.3 -2,-0.6 2,-0.6 -0.791 8.3-158.5 -86.7 126.8 21.3 114.4 174.4 11 13 A V E +a 50 0A 6 65,-2.9 2,-0.2 -2,-0.5 41,-0.1 -0.933 35.6 129.4-112.6 112.0 21.8 110.7 174.7 12 14 A S > - 0 0 25 38,-2.9 4,-2.6 -2,-0.6 5,-0.2 -0.773 49.1-154.9-167.6 118.0 25.0 109.9 176.7 13 15 A D H > S+ 0 0 50 -2,-0.2 4,-2.2 2,-0.2 6,-0.2 0.914 103.5 52.6 -54.5 -45.0 25.9 107.7 179.7 14 16 A T H 4>S+ 0 0 80 2,-0.2 5,-2.4 1,-0.2 6,-0.7 0.945 113.7 38.9 -60.8 -53.5 28.8 110.1 180.3 15 17 A V H >45S+ 0 0 30 1,-0.2 3,-1.4 4,-0.2 -1,-0.2 0.928 115.4 53.4 -65.0 -41.4 26.8 113.3 180.4 16 18 A S H 3<5S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.5 50.0 -63.9 -33.7 23.9 111.7 182.2 17 19 A A T 3<5S- 0 0 81 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.459 115.8-114.7 -82.1 -4.8 26.3 110.4 185.0 18 20 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.746 81.4 125.9 74.9 23.6 27.8 113.9 185.4 19 21 A A S S+ 0 0 179 -2,-0.8 4,-0.6 114,-0.1 -1,-0.2 0.661 74.5 49.3 -99.3 -18.8 29.1 119.6 174.1 24 26 A S H > S+ 0 0 15 2,-0.1 4,-2.4 1,-0.1 5,-0.2 0.874 100.2 61.9 -85.3 -48.5 26.5 118.6 171.4 25 27 A G H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 103.6 47.8 -45.8 -55.1 23.4 120.0 173.0 26 28 A P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.866 111.1 52.2 -59.8 -34.7 24.5 123.6 172.9 27 29 A R H X S+ 0 0 117 -4,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.916 109.7 49.2 -67.5 -39.3 25.6 123.3 169.3 28 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.914 111.7 48.5 -64.0 -43.7 22.2 121.8 168.3 29 31 A V H X S+ 0 0 47 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.936 111.4 50.7 -61.0 -45.6 20.4 124.7 170.1 30 32 A S H X S+ 0 0 42 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.909 110.5 48.3 -60.7 -44.4 22.6 127.2 168.4 31 33 A V H X S+ 0 0 22 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.913 114.2 45.9 -65.1 -42.2 22.0 125.8 164.9 32 34 A V H >< S+ 0 0 0 -4,-2.4 3,-0.7 2,-0.2 -2,-0.2 0.962 115.2 46.9 -63.9 -49.3 18.2 125.6 165.4 33 35 A D H >< S+ 0 0 111 -4,-2.9 3,-1.8 1,-0.3 4,-0.2 0.918 112.0 49.3 -56.3 -48.3 18.1 129.2 166.8 34 36 A S H 3< S+ 0 0 85 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.670 116.6 43.6 -72.4 -15.2 20.2 130.6 164.1 35 37 A S T S+ 0 0 45 -3,-1.8 5,-2.8 1,-0.2 6,-1.4 0.862 77.9 42.2 -58.5 -42.9 14.7 129.8 163.2 37 39 A E T >45S+ 0 0 174 -4,-0.2 3,-1.7 1,-0.2 -1,-0.2 0.898 112.0 53.3 -70.4 -42.5 13.3 131.8 160.3 38 40 A K T 345S+ 0 0 142 1,-0.3 116,-0.3 -4,-0.1 -1,-0.2 0.787 108.1 54.4 -61.4 -26.6 14.5 129.3 157.6 39 41 A L T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -7,-0.2 -2,-0.2 0.434 125.4-102.3 -88.3 0.0 12.6 126.7 159.7 40 42 A G T < 5S- 0 0 27 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.577 85.9 -36.5 92.1 14.1 9.3 128.7 159.6 41 43 A G S - 0 0 99 -2,-2.2 4,-2.3 1,-0.1 3,-0.4 -0.986 57.8-144.7-137.7 118.9 19.2 103.1 177.8 54 56 A V H > S+ 0 0 31 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.875 99.4 50.8 -55.4 -44.7 16.5 102.2 175.4 55 57 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 110.8 48.5 -64.3 -37.5 13.7 102.6 178.0 56 58 A R H > S+ 0 0 101 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.910 114.3 46.3 -67.5 -41.5 14.8 106.0 179.1 57 59 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.950 113.2 48.7 -65.7 -50.4 15.1 107.2 175.5 58 60 A K H X S+ 0 0 26 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.908 109.0 54.4 -54.4 -45.3 11.7 105.8 174.6 59 61 A D H X S+ 0 0 79 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.897 110.8 43.5 -63.1 -41.6 10.0 107.3 177.6 60 62 A I H X S+ 0 0 17 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.915 113.3 51.1 -72.3 -38.1 11.2 110.9 176.8 61 63 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 5,-0.2 0.913 113.4 46.2 -63.2 -40.7 10.4 110.6 173.1 62 64 A Q H X S+ 0 0 49 -4,-2.7 4,-3.1 -5,-0.2 5,-0.4 0.924 114.1 47.6 -66.4 -44.9 6.9 109.4 174.0 63 65 A K H X>S+ 0 0 105 -4,-2.3 4,-2.4 -5,-0.2 5,-2.4 0.947 112.8 47.6 -62.1 -46.9 6.4 112.1 176.6 64 66 A W H <5S+ 0 0 10 -4,-2.8 6,-2.5 3,-0.2 -1,-0.2 0.855 120.8 38.4 -66.1 -35.3 7.6 114.9 174.4 65 67 A S H <5S+ 0 0 15 -4,-1.7 64,-0.3 -5,-0.3 -2,-0.2 0.915 126.6 31.5 -78.1 -46.3 5.4 113.7 171.5 66 68 A D H <5S+ 0 0 95 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.790 134.4 16.8 -88.3 -32.8 2.3 112.6 173.3 67 69 A V T <5S+ 0 0 98 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.799 124.2 45.0-109.5 -51.5 2.0 115.0 176.3 68 70 A D S S- 0 0 80 1,-0.1 3,-2.0 2,-0.0 0, 0.0 -0.390 80.5-110.5 -75.7 158.2 29.3 100.4 170.1 83 85 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.784 117.8 54.1 -56.7 -29.5 27.1 98.1 172.2 84 86 A R T 3 S+ 0 0 155 1,-0.0 2,-1.1 -31,-0.0 3,-0.1 0.470 79.8 102.5 -85.8 -3.2 25.8 101.0 174.2 85 87 A D < + 0 0 29 -3,-2.0 4,-0.1 1,-0.2 -6,-0.1 -0.697 36.7 140.5 -83.5 97.2 24.6 102.9 171.0 86 88 A V > + 0 0 30 -2,-1.1 4,-2.1 2,-0.1 5,-0.2 0.270 26.3 109.3-123.9 10.0 20.9 102.2 171.2 87 89 A T H > S+ 0 0 0 -9,-1.7 4,-2.4 1,-0.2 5,-0.2 0.908 80.6 50.1 -58.4 -45.2 19.3 105.5 170.1 88 90 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.888 109.4 51.6 -61.7 -37.4 18.1 104.2 166.8 89 91 A E H > S+ 0 0 63 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.903 112.0 46.0 -66.6 -42.1 16.5 101.1 168.3 90 92 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.911 114.0 50.4 -62.2 -43.5 14.6 103.3 170.9 91 93 A T H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.8 0.921 105.5 54.1 -63.7 -44.2 13.6 105.7 168.1 92 94 A K H 3< S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.826 105.7 55.8 -62.7 -31.0 12.3 102.9 165.8 93 95 A K H 3< S+ 0 0 125 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.807 113.8 38.6 -67.9 -31.0 10.0 101.7 168.6 94 96 A V H << S+ 0 0 1 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.780 95.2 89.3 -96.0 -30.1 8.3 105.1 169.1 95 97 A I < - 0 0 22 -4,-2.3 32,-0.2 1,-0.1 3,-0.1 -0.362 51.5-166.3 -70.3 149.4 7.9 106.4 165.5 96 98 A E S S+ 0 0 123 30,-2.6 2,-0.4 1,-0.3 31,-0.2 0.725 76.6 29.9 -99.9 -37.1 4.8 105.5 163.6 97 99 A R E S-D 126 0A 149 29,-1.7 29,-2.8 2,-0.0 -1,-0.3 -0.988 80.6-130.7-133.6 123.0 5.9 106.5 160.1 98 100 A E E -D 125 0A 155 -2,-0.4 27,-0.3 27,-0.2 25,-0.0 -0.382 8.8-159.2 -75.0 149.2 9.5 106.3 158.8 99 101 A T >> + 0 0 22 25,-1.8 3,-1.2 1,-0.1 4,-1.0 -0.642 20.5 166.3-125.4 70.2 11.1 109.3 157.0 100 102 A P H 3> + 0 0 88 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.743 67.1 67.9 -64.9 -25.9 14.0 107.8 155.1 101 103 A G H 3> S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.823 97.6 53.7 -63.7 -31.4 14.6 110.8 152.8 102 104 A L H <> S+ 0 0 35 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.907 110.1 47.4 -67.0 -42.5 15.8 112.8 155.8 103 105 A L H X S+ 0 0 48 -4,-1.0 4,-2.4 2,-0.2 5,-0.2 0.878 110.3 54.1 -61.7 -39.3 18.3 109.9 156.6 104 106 A F H X S+ 0 0 131 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.947 110.2 44.4 -61.0 -51.3 19.4 109.9 153.0 105 107 A V H X S+ 0 0 45 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.905 113.1 50.7 -63.6 -43.0 20.2 113.6 152.9 106 108 A M H X S+ 0 0 8 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.925 115.4 43.0 -60.7 -45.2 22.0 113.5 156.2 107 109 A M H X S+ 0 0 62 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.942 113.7 50.8 -65.9 -48.7 24.1 110.6 155.1 108 110 A Q H X S+ 0 0 88 -4,-2.9 4,-0.6 -5,-0.2 -2,-0.2 0.930 117.3 39.2 -55.1 -47.1 24.8 111.9 151.6 109 111 A E H >X S+ 0 0 62 -4,-2.6 3,-0.7 -5,-0.2 4,-0.6 0.893 114.1 53.4 -75.5 -37.3 25.9 115.3 152.9 110 112 A S H >X S+ 0 0 14 -4,-2.5 4,-2.3 -5,-0.3 3,-1.2 0.868 101.5 60.0 -65.4 -35.5 27.9 113.9 155.9 111 113 A L H 3< S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.764 95.9 62.6 -65.3 -24.9 29.9 111.5 153.7 112 114 A K H << S+ 0 0 144 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.789 110.9 39.4 -67.9 -28.0 31.2 114.5 151.8 113 115 A I H << S- 0 0 92 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.1 0.899 132.7 -4.5 -85.5 -50.0 32.8 115.6 155.1 114 116 A T >< - 0 0 51 -4,-2.3 3,-1.6 1,-0.1 -1,-0.3 -0.995 50.6-135.4-150.0 137.8 34.0 112.3 156.5 115 117 A P G > S+ 0 0 78 0, 0.0 3,-2.0 0, 0.0 4,-0.1 0.774 101.1 77.6 -62.8 -21.5 33.8 108.6 155.6 116 118 A F G > + 0 0 153 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.637 70.0 85.3 -66.4 -10.5 33.0 108.0 159.3 117 119 A A G X S+ 0 0 12 -3,-1.6 3,-2.0 1,-0.3 -1,-0.3 0.843 76.1 69.5 -52.5 -32.3 29.5 109.2 158.5 118 120 A M G < S+ 0 0 117 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.635 87.1 66.5 -64.1 -15.3 28.8 105.6 157.4 119 121 A L G < S+ 0 0 79 -3,-1.9 2,-0.5 -4,-0.1 -1,-0.3 0.520 76.8 101.8 -85.5 -5.5 29.0 104.6 161.1 120 122 A S < - 0 0 25 -3,-2.0 -40,-0.2 -4,-0.2 -39,-0.0 -0.688 48.2-174.5 -79.7 126.5 25.9 106.5 162.0 121 123 A R + 0 0 71 -42,-2.7 -1,-0.1 -2,-0.5 -41,-0.1 0.032 26.0 164.8-104.7 24.3 22.9 104.3 162.3 122 124 A S - 0 0 19 -19,-0.1 2,-0.2 1,-0.1 -43,-0.0 -0.052 19.5-160.4 -48.3 140.0 20.5 107.2 162.8 123 125 A A - 0 0 5 12,-0.1 11,-2.5 2,-0.0 2,-0.3 -0.730 8.1-175.1-111.5 167.3 16.7 106.7 162.5 124 126 A A E + E 0 133A 2 -2,-0.2 -25,-1.8 9,-0.2 2,-0.3 -0.972 15.0 126.6-160.9 146.4 13.9 109.2 161.9 125 127 A G E -DE 98 132A 0 7,-2.4 7,-3.1 -2,-0.3 2,-0.4 -0.990 46.1 -80.6 179.0-173.0 10.2 109.3 161.7 126 128 A I E -DE 97 131A 16 -29,-2.8 -30,-2.6 -2,-0.3 -29,-1.7 -0.881 23.7-176.3-112.8 135.8 6.9 110.8 162.7 127 129 A R E > S- E 0 130A 36 3,-2.6 3,-1.9 -2,-0.4 2,-0.3 -0.980 71.7 -45.0-125.3 119.9 4.8 110.1 165.8 128 130 A G T 3 S- 0 0 46 -2,-0.4 -62,-0.1 1,-0.3 -63,-0.0 -0.501 124.7 -26.5 62.5-120.1 1.5 111.9 165.9 129 131 A S T 3 S+ 0 0 61 -2,-0.3 2,-0.4 -64,-0.3 -1,-0.3 -0.200 117.9 103.8-114.3 36.7 2.4 115.4 164.9 130 132 A T E < - 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