==== 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 LIGASE 03-SEP-01 1JWA . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS MOEB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.W.LAKE,M.M.WUEBBENS,K.V.RAJAGOPALAN,H.SCHINDELIN . 298 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 1 1 2 0 0 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 1 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 2 B A 0 0 55 0, 0.0 22,-0.0 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0-160.6 43.9 23.5 51.3 2 3 B E - 0 0 167 1,-0.1 2,-0.3 2,-0.0 0, 0.0 0.955 360.0-146.7 75.1 91.9 47.4 23.9 52.9 3 4 B L - 0 0 19 1,-0.1 -1,-0.1 4,-0.1 23,-0.0 -0.646 10.3-130.5 -87.8 144.0 50.0 25.4 50.5 4 5 B S > - 0 0 37 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.227 32.6 -98.7 -80.7 179.3 53.6 24.3 50.7 5 6 B D H > S+ 0 0 117 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.840 125.8 48.3 -67.9 -30.6 56.4 26.8 50.9 6 7 B Q H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.1 3,-0.3 0.851 110.9 47.4 -79.9 -38.9 56.9 26.3 47.1 7 8 B E H > S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.970 109.1 56.6 -64.6 -47.7 53.3 26.7 46.2 8 9 B M H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.748 111.5 43.1 -57.3 -22.6 53.2 29.8 48.3 9 10 B L H >< S+ 0 0 136 -4,-0.6 3,-0.9 -3,-0.3 4,-0.3 0.906 114.6 46.7 -89.3 -44.0 56.0 31.3 46.3 10 11 B R H 3< S+ 0 0 122 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.846 117.2 44.1 -62.8 -37.2 54.8 30.3 42.9 11 12 B Y T >X S+ 0 0 9 -4,-3.1 3,-2.2 -5,-0.2 4,-2.0 0.469 82.8 111.1 -90.4 1.3 51.3 31.5 43.5 12 13 B N H <> + 0 0 51 -3,-0.9 4,-2.5 -5,-0.3 5,-0.2 0.811 67.5 58.1 -37.9 -60.3 52.4 34.8 45.2 13 14 B R H 34 S+ 0 0 200 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.644 114.6 42.8 -55.5 -14.5 51.3 37.3 42.6 14 15 B Q H X4 S+ 0 0 61 -3,-2.2 3,-2.1 2,-0.1 7,-0.4 0.867 109.1 55.1 -95.5 -48.6 47.8 35.9 43.1 15 16 B I H 3< S+ 0 0 8 -4,-2.0 6,-0.7 1,-0.3 -2,-0.2 0.823 102.8 56.9 -54.1 -38.5 47.9 35.6 46.9 16 17 B I T 3< S+ 0 0 105 -4,-2.5 2,-0.5 5,-0.1 -1,-0.3 0.417 77.8 114.1 -76.9 1.3 48.7 39.3 47.3 17 18 B L S X> S- 0 0 76 -3,-2.1 3,-2.5 -5,-0.2 4,-1.3 -0.635 80.2-109.4 -74.9 125.2 45.6 40.4 45.4 18 19 B R T 34 S+ 0 0 231 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 -0.298 104.0 19.4 -57.7 129.5 43.3 42.2 47.8 19 20 B G T 34 S+ 0 0 69 -4,-0.1 -1,-0.3 1,-0.1 -3,-0.1 0.197 119.8 65.7 96.1 -17.2 40.3 40.0 48.5 20 21 B F T <> + 0 0 8 -3,-2.5 4,-1.8 -6,-0.2 3,-0.2 0.850 67.3 142.9 -98.5 -71.0 42.0 36.9 47.3 21 22 B D H >X S- 0 0 88 -4,-1.3 4,-1.5 -6,-0.7 3,-1.3 0.247 76.8 -41.9 56.6-178.4 44.8 36.2 49.8 22 23 B F H 3> S+ 0 0 93 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.815 135.3 64.4 -47.3 -37.9 45.8 32.7 51.0 23 24 B D H 3> S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.890 102.3 46.2 -54.6 -48.0 42.2 31.8 51.2 24 25 B G H < S+ 0 0 1 -4,-2.2 3,-1.6 1,-0.2 27,-1.6 0.920 107.7 51.4 -54.3 -48.1 41.7 26.8 43.9 29 30 B K H 3< S+ 0 0 55 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 110.4 50.0 -59.4 -37.2 43.8 23.9 45.1 30 31 B D T 3< S+ 0 0 90 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.402 91.4 110.4 -81.2 0.8 40.7 22.2 46.5 31 32 B S < - 0 0 7 -3,-1.6 25,-1.2 -4,-0.4 2,-0.5 -0.465 51.3-159.0 -86.9 152.3 38.8 22.6 43.3 32 33 B R E -a 56 0A 131 -2,-0.2 90,-2.6 23,-0.1 91,-0.7 -0.917 20.2-179.9-128.9 97.5 37.7 19.9 40.8 33 34 B V E -ab 57 123A 0 23,-2.1 25,-1.4 -2,-0.5 2,-0.5 -0.805 16.4-149.1-101.4 145.0 37.0 21.4 37.5 34 35 B L E -ab 58 124A 3 89,-2.1 91,-3.2 -2,-0.3 2,-0.6 -0.961 7.6-163.8-118.7 121.1 35.8 19.5 34.3 35 36 B I E -ab 59 125A 0 23,-2.2 25,-1.8 -2,-0.5 2,-0.7 -0.926 3.1-161.4-105.5 120.2 36.8 20.8 30.9 36 37 B V E +ab 60 126A 10 89,-2.8 91,-2.2 -2,-0.6 25,-0.2 -0.871 67.1 26.3-106.2 105.7 34.8 19.4 27.9 37 38 B G - 0 0 7 23,-1.8 2,-0.8 -2,-0.7 5,-0.4 0.665 56.1-159.4 111.6 87.2 36.6 19.8 24.6 38 39 B L + 0 0 0 4,-0.2 23,-0.1 22,-0.1 -1,-0.1 -0.190 62.1 101.2 -88.4 48.3 40.3 20.1 24.5 39 40 B G S > S- 0 0 9 -2,-0.8 4,-2.1 88,-0.5 5,-0.3 0.213 95.0 -31.8 -99.0-136.8 40.3 21.8 21.1 40 41 B G H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 34,-0.2 0.944 143.6 25.0 -50.8 -57.5 40.8 25.4 20.3 41 42 B L H > S+ 0 0 0 259,-5.8 4,-2.5 86,-0.3 5,-0.4 0.938 116.9 59.2 -78.5 -46.1 39.1 26.8 23.4 42 43 B G H > S+ 0 0 0 258,-0.6 4,-1.8 85,-0.6 -4,-0.2 0.883 108.6 49.7 -50.3 -35.5 39.7 23.9 25.7 43 44 B C H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.902 111.0 47.6 -71.2 -40.8 43.4 24.4 25.1 44 45 B A H X S+ 0 0 5 -4,-1.2 4,-0.6 -5,-0.3 -2,-0.2 0.903 115.2 44.0 -67.2 -42.1 43.4 28.1 25.8 45 46 B A H >X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 3,-0.6 0.871 110.2 52.8 -75.7 -37.7 41.4 27.9 29.0 46 47 B S H 3X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.4 5,-0.3 0.864 96.4 66.0 -71.2 -33.4 43.2 25.0 30.5 47 48 B Q H 3X S+ 0 0 53 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.881 111.3 36.8 -55.8 -32.4 46.7 26.5 30.2 48 49 B Y H S+ 0 0 0 -4,-1.1 5,-2.4 2,-0.2 4,-1.0 0.844 112.3 44.9 -74.7 -28.3 43.5 27.1 34.9 50 51 B A H <5S+ 0 0 0 -4,-2.2 -2,-0.2 3,-0.2 -3,-0.1 0.918 114.1 44.5 -77.5 -49.2 46.6 25.0 35.4 51 52 B S H <5S+ 0 0 54 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.819 111.4 54.6 -68.6 -32.0 49.2 27.8 35.9 52 53 B A H <5S- 0 0 4 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.838 121.6-106.6 -71.5 -31.9 46.8 29.6 38.3 53 54 B G T <5 + 0 0 2 -4,-1.0 2,-0.7 1,-0.2 -3,-0.2 0.666 51.7 166.1 120.7 18.9 46.5 26.4 40.4 54 55 B V < - 0 0 0 -5,-2.4 -25,-0.3 1,-0.2 -1,-0.2 -0.547 32.5-145.5 -69.8 114.0 43.2 24.6 40.2 55 56 B G S S+ 0 0 8 -27,-1.6 46,-3.4 -2,-0.7 2,-0.4 0.708 73.4 34.9 -54.4 -33.0 44.2 21.4 41.8 56 57 B N E +ac 32 101A 50 -25,-1.2 -23,-2.1 -28,-0.3 2,-0.3 -0.969 62.7 173.1-135.0 123.1 42.2 18.9 39.9 57 58 B L E -ac 33 102A 1 44,-2.4 46,-2.7 -2,-0.4 2,-0.5 -0.969 14.6-157.9-129.4 144.7 41.3 19.0 36.2 58 59 B T E -ac 34 103A 15 -25,-1.4 -23,-2.2 -2,-0.3 2,-0.5 -0.977 9.9-151.4-127.2 119.2 39.6 16.4 34.0 59 60 B L E -ac 35 104A 0 44,-1.9 46,-2.2 -2,-0.5 2,-0.5 -0.795 12.9-173.0 -92.5 124.6 40.1 16.5 30.3 60 61 B L E +ac 36 105A 10 -25,-1.8 -23,-1.8 -2,-0.5 2,-0.3 -0.931 28.2 119.6-127.1 107.4 37.2 15.1 28.2 61 62 B D E - c 0 106A 22 44,-1.0 46,-0.6 -2,-0.5 25,-0.3 -0.950 40.9-157.7-161.0 146.4 37.5 14.7 24.5 62 63 B F + 0 0 111 -2,-0.3 46,-0.1 44,-0.2 44,-0.1 0.517 64.7 93.8-104.4 -9.2 37.3 11.8 22.0 63 64 B D - 0 0 67 44,-0.1 22,-2.1 21,-0.1 23,-0.4 -0.119 64.3-126.5 -83.0 175.7 39.3 13.3 19.1 64 65 B T B -N 84 0B 64 20,-0.3 19,-0.1 21,-0.1 2,-0.1 -0.817 30.1 -94.5-120.5 162.2 43.0 13.2 18.0 65 66 B V + 0 0 3 18,-2.7 17,-2.0 15,-0.4 2,-0.3 -0.422 44.3 179.4 -74.7 150.6 45.5 15.9 17.2 66 67 B S > - 0 0 46 15,-0.2 4,-0.5 1,-0.2 3,-0.3 -0.949 40.0-102.9-148.6 165.1 46.0 17.0 13.7 67 68 B L T >4 S+ 0 0 119 -2,-0.3 3,-3.6 1,-0.2 -1,-0.2 0.967 115.7 54.0 -52.6 -67.2 48.0 19.4 11.6 68 69 B S G >4 S+ 0 0 80 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.773 101.3 62.7 -37.1 -41.9 45.3 22.0 11.0 69 70 B N G >> S+ 0 0 13 -3,-0.3 4,-2.9 1,-0.3 3,-1.4 0.690 85.7 75.6 -60.2 -21.9 44.8 22.2 14.8 70 71 B L G << S+ 0 0 49 -3,-3.6 -1,-0.3 -4,-0.5 -2,-0.2 0.283 76.9 75.4 -77.7 8.7 48.4 23.5 15.2 71 72 B Q G <4 S- 0 0 91 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.1 0.594 122.9 -0.9 -91.3 -12.3 47.4 26.9 13.9 72 73 B R T <4 S+ 0 0 58 -3,-1.4 2,-1.5 -4,-0.2 -2,-0.2 0.556 106.7 88.9-149.6 -25.7 45.8 27.6 17.2 73 74 B Q >< + 0 0 3 -4,-2.9 3,-1.4 1,-0.2 -1,-0.1 -0.636 48.0 178.7 -88.1 86.0 45.9 24.8 19.7 74 75 B T T 3 S+ 0 0 108 -2,-1.5 -1,-0.2 1,-0.3 -4,-0.1 0.719 70.9 68.2 -59.3 -28.2 49.2 25.7 21.4 75 76 B L T 3 S+ 0 0 19 -3,-0.1 -1,-0.3 2,-0.0 17,-0.2 0.757 97.2 64.2 -64.1 -25.3 49.1 22.8 23.9 76 77 B H < - 0 0 11 -3,-1.4 2,-0.3 -7,-0.1 3,-0.0 -0.434 67.6-167.5 -96.4 168.1 49.6 20.2 21.0 77 78 B S >> - 0 0 49 -2,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.969 39.4 -98.5-152.5 167.0 52.5 19.8 18.7 78 79 B D G >4 S+ 0 0 118 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.908 121.3 58.2 -54.5 -43.5 53.7 18.1 15.5 79 80 B A G 34 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.769 108.5 46.4 -61.2 -22.9 55.3 15.4 17.5 80 81 B T G X4 S+ 0 0 25 -3,-1.7 3,-1.5 2,-0.1 -15,-0.4 0.368 77.2 132.0 -99.3 3.1 51.8 14.6 19.0 81 82 B V T << S+ 0 0 66 -3,-1.4 -15,-0.2 -4,-0.5 -3,-0.0 -0.310 77.4 20.9 -55.6 130.9 49.8 14.6 15.8 82 83 B G T 3 S+ 0 0 47 -17,-2.0 -1,-0.3 1,-0.4 3,-0.1 -0.159 98.0 109.3 101.4 -41.9 47.7 11.5 15.8 83 84 B Q S < S- 0 0 56 -3,-1.5 -18,-2.7 -19,-0.1 -1,-0.4 -0.219 84.4 -90.0 -61.3 154.7 47.8 11.0 19.5 84 85 B P B > -N 64 0B 20 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.416 31.5-123.1 -71.1 152.7 44.5 11.7 21.3 85 86 B K H > S+ 0 0 14 -22,-2.1 4,-2.1 1,-0.2 5,-0.2 0.826 105.3 59.7 -66.7 -35.7 43.9 15.2 22.5 86 87 B V H > S+ 0 0 0 -23,-0.4 4,-1.8 -25,-0.3 -1,-0.2 0.871 112.2 41.7 -61.1 -35.3 43.4 14.5 26.2 87 88 B E H > S+ 0 0 67 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.909 112.0 50.5 -79.4 -45.7 46.8 13.0 26.4 88 89 B S H X S+ 0 0 4 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.918 117.1 45.8 -54.5 -43.2 48.8 15.5 24.3 89 90 B A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.881 107.8 53.0 -70.3 -46.2 47.1 18.1 26.5 90 91 B R H X S+ 0 0 72 -4,-1.8 4,-2.6 -5,-0.2 5,-0.2 0.955 109.5 50.9 -55.7 -47.6 47.7 16.5 29.8 91 92 B D H X S+ 0 0 79 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.937 113.1 43.4 -57.0 -49.8 51.4 16.2 29.0 92 93 B A H X S+ 0 0 12 -4,-1.8 4,-1.3 -5,-0.2 3,-0.4 0.906 115.0 51.8 -63.3 -38.6 51.8 19.8 28.1 93 94 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.868 104.4 53.2 -68.7 -39.8 49.7 20.9 31.1 94 95 B T H < S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.719 105.3 57.2 -72.1 -13.6 51.6 18.9 33.6 95 96 B R H < S+ 0 0 200 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.849 105.9 50.0 -76.6 -40.0 54.8 20.7 32.3 96 97 B I H < S+ 0 0 54 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.1 0.877 132.8 9.1 -67.3 -40.1 53.1 24.0 33.1 97 98 B N >< - 0 0 1 -4,-2.0 3,-0.9 1,-0.1 -1,-0.3 -0.781 54.3-179.7-148.1 102.4 52.3 22.8 36.6 98 99 B P T 3 S+ 0 0 87 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.491 80.7 72.9 -76.5 2.6 53.6 19.6 38.2 99 100 B H T 3 S+ 0 0 77 -49,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.728 84.1 72.9 -87.9 -25.0 51.6 20.5 41.3 100 101 B I S < S- 0 0 21 -3,-0.9 2,-0.7 -50,-0.1 -44,-0.2 -0.472 79.7-117.3 -90.9 162.1 48.0 19.8 40.1 101 102 B A E -c 56 0A 44 -46,-3.4 -44,-2.4 -2,-0.2 2,-0.5 -0.895 29.9-168.2-105.0 115.9 46.3 16.5 39.4 102 103 B I E -c 57 0A 26 -2,-0.7 -44,-0.2 -46,-0.2 -46,-0.0 -0.907 5.7-172.0-108.8 128.9 45.3 15.9 35.8 103 104 B T E -c 58 0A 76 -46,-2.7 -44,-1.9 -2,-0.5 2,-0.2 -0.949 9.2-156.0-122.9 114.6 43.0 13.1 34.6 104 105 B P E -c 59 0A 40 0, 0.0 2,-0.3 0, 0.0 -44,-0.2 -0.619 5.1-166.9 -90.7 146.1 42.4 12.5 30.9 105 106 B V E -c 60 0A 44 -46,-2.2 2,-1.4 -2,-0.2 -44,-1.0 -0.743 4.3-163.1-138.4 89.1 39.3 10.8 29.6 106 107 B N E +c 61 0A 85 -2,-0.3 2,-0.3 -46,-0.2 -44,-0.2 -0.516 52.1 83.2 -69.5 86.9 39.5 9.7 26.0 107 108 B A S S- 0 0 33 -2,-1.4 2,-0.3 -46,-0.6 -44,-0.1 -0.958 74.4-111.1-167.9-177.5 35.8 9.1 25.1 108 109 B L - 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