==== 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 LIGAND BINDING PROTEIN 08-DEC-05 2FB3 . COMPND 2 MOLECULE: MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.HAENZELMANN,H.SCHINDELIN . 655 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 3 0.5 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 . 52 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 0 3 2 3 2 1 5 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 4 2 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 . 5 3 1 3 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 0 0 0 0 0 1 1 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 E 0 0 137 0, 0.0 2,-0.3 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 -24.0 41.7 82.9 25.7 2 4 A Q - 0 0 77 2,-0.0 2,-0.4 8,-0.0 62,-0.1 -0.921 360.0-179.0-134.7 123.6 40.4 79.9 27.7 3 5 A I - 0 0 9 60,-0.7 8,-1.3 -2,-0.3 2,-0.3 -0.943 7.2-162.1-125.2 134.0 37.3 80.4 29.8 4 6 A K B -A 10 0A 75 -2,-0.4 2,-0.1 6,-0.2 5,-0.1 -0.882 11.4-134.2-120.5 147.9 35.8 77.7 31.9 5 7 A D > - 0 0 9 4,-1.8 3,-2.2 -2,-0.3 303,-0.2 -0.306 42.5 -78.3 -94.3-178.2 32.3 77.6 33.3 6 8 A K T 3 S+ 0 0 137 304,-1.5 305,-0.2 301,-0.3 302,-0.1 0.687 131.6 48.3 -50.5 -25.5 31.0 76.8 36.9 7 9 A L T 3 S- 0 0 23 303,-0.5 -1,-0.3 2,-0.1 640,-0.1 0.132 123.8 -98.9-105.6 18.8 31.5 73.0 36.2 8 10 A G S < S+ 0 0 18 -3,-2.2 -2,-0.1 1,-0.2 643,-0.1 0.336 75.8 141.2 86.4 -2.8 35.1 73.3 34.8 9 11 A R - 0 0 2 -5,-0.1 -4,-1.8 253,-0.1 -1,-0.2 -0.557 42.8-139.1 -83.3 130.7 34.2 73.2 31.1 10 12 A P B -A 4 0A 1 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.477 23.6-111.5 -76.8 152.5 35.9 75.3 28.4 11 13 A I + 0 0 1 -8,-1.3 -8,-0.2 52,-0.3 253,-0.2 -0.677 55.0 140.4 -81.6 138.2 34.0 77.0 25.6 12 14 A R + 0 0 27 251,-2.5 54,-2.2 1,-0.4 55,-1.5 0.547 51.8 54.9-146.8 -32.2 34.8 75.4 22.2 13 15 A D E -bc 67 264B 12 250,-2.0 252,-2.9 52,-0.2 2,-0.5 -0.969 53.7-162.7-120.1 137.4 31.6 75.2 20.0 14 16 A L E -bc 68 265B 0 53,-2.8 55,-3.2 -2,-0.4 2,-0.6 -0.977 7.0-157.0-118.6 121.3 29.2 77.8 18.9 15 17 A R E -bc 69 266B 59 250,-2.4 252,-2.7 -2,-0.5 2,-0.7 -0.905 9.4-164.5 -93.7 117.1 25.8 76.8 17.6 16 18 A L E -bc 70 267B 2 53,-3.2 55,-3.4 -2,-0.6 2,-0.6 -0.922 7.0-157.2-103.4 109.9 24.3 79.4 15.4 17 19 A S E -b 71 0B 23 250,-2.4 55,-0.3 -2,-0.7 254,-0.2 -0.775 11.5-177.8 -80.8 120.8 20.6 79.1 14.7 18 20 A V + 0 0 0 53,-3.3 2,-0.3 -2,-0.6 54,-0.2 0.600 60.9 12.5 -99.4 -11.2 20.0 81.1 11.5 19 21 A T - 0 0 7 52,-0.4 -1,-0.2 1,-0.1 250,-0.2 -0.986 45.9-148.1-158.8 154.1 16.2 80.7 11.1 20 22 A D S S+ 0 0 30 -2,-0.3 2,-0.1 52,-0.2 52,-0.1 0.470 76.8 97.4 -97.9 -11.2 13.1 79.5 12.9 21 23 A R - 0 0 77 53,-0.1 53,-2.7 21,-0.1 52,-0.6 -0.455 50.1-178.3 -71.6 148.6 11.6 78.4 9.7 22 24 A C - 0 0 16 51,-0.3 -2,-0.0 -2,-0.1 0, 0.0 -0.992 31.4-145.6-142.9 150.5 11.6 74.8 8.4 23 25 A N S S+ 0 0 26 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 0.270 88.3 60.5 -87.7 5.8 10.3 73.1 5.3 24 26 A F - 0 0 8 2,-0.0 114,-0.2 116,-0.0 -2,-0.1 -0.847 67.1-150.4-121.3 165.3 9.5 69.9 7.3 25 27 A R - 0 0 15 112,-3.2 7,-0.5 -2,-0.3 10,-0.0 -0.451 23.8-171.8-134.3 61.9 7.1 69.5 10.2 26 28 A C >> - 0 0 20 5,-0.1 4,-1.7 1,-0.1 3,-1.3 -0.291 25.9-129.3 -59.0 136.7 8.8 66.6 12.2 27 29 A D T 34 S+ 0 0 88 109,-0.9 -1,-0.1 1,-0.3 110,-0.1 0.883 105.6 43.3 -61.7 -41.0 6.6 65.3 15.0 28 30 A Y T 34 S+ 0 0 88 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.463 130.6 24.3 -77.8 -0.7 9.3 65.5 17.8 29 31 A C T <4 S+ 0 0 60 -3,-1.3 -2,-0.2 -4,-0.0 -1,-0.1 0.697 136.6 4.8-128.6 -62.4 10.5 68.9 16.6 30 32 A M S < S- 0 0 14 -4,-1.7 2,-0.2 5,-0.0 -2,-0.1 -0.718 70.8-171.1-130.5 77.7 7.9 71.0 14.7 31 33 A P >> - 0 0 25 0, 0.0 4,-2.4 0, 0.0 3,-0.8 -0.527 32.0-121.5 -71.1 139.8 4.5 69.1 14.7 32 34 A K T 34 S+ 0 0 101 -7,-0.5 5,-0.1 1,-0.2 -6,-0.1 0.745 108.2 68.6 -46.8 -30.6 1.9 70.7 12.4 33 35 A E T 34 S+ 0 0 155 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.960 113.8 25.2 -55.1 -54.9 -0.4 71.1 15.4 34 36 A V T <4 S+ 0 0 86 -3,-0.8 2,-0.8 1,-0.2 -2,-0.2 0.841 127.1 46.1 -81.3 -42.5 1.8 73.8 17.0 35 37 A F S < S+ 0 0 43 -4,-2.4 -1,-0.2 4,-0.1 -2,-0.1 -0.546 90.7 142.2-103.4 68.8 3.5 75.1 13.9 36 38 A G > - 0 0 16 -2,-0.8 3,-2.8 -3,-0.4 -3,-0.1 -0.233 69.2 -64.3 -99.2-172.9 0.3 75.4 11.7 37 39 A D T 3 S+ 0 0 179 1,-0.3 -2,-0.0 -5,-0.1 -5,-0.0 0.737 132.8 44.1 -42.3 -35.5 -1.2 77.7 9.2 38 40 A D T 3 S+ 0 0 135 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.337 77.0 123.7-102.4 4.3 -1.4 80.5 11.7 39 41 A F < - 0 0 79 -3,-2.8 2,-0.7 1,-0.1 -4,-0.1 -0.563 54.3-142.7 -65.1 122.0 2.0 80.3 13.5 40 42 A V - 0 0 130 -2,-0.3 2,-0.1 3,-0.0 -2,-0.1 -0.850 16.6-160.9 -83.2 111.5 3.7 83.7 13.3 41 43 A F - 0 0 36 -2,-0.7 -20,-0.0 1,-0.2 0, 0.0 -0.356 39.8 -64.1 -77.3 172.0 7.5 83.2 12.8 42 44 A L - 0 0 39 -2,-0.1 -1,-0.2 1,-0.1 -22,-0.1 -0.323 51.1-114.7 -61.8 137.5 10.0 86.0 13.5 43 45 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.327 31.7-109.3 -65.7 156.0 9.9 89.2 11.5 44 46 A K G > S+ 0 0 174 1,-0.3 3,-2.6 2,-0.2 -2,-0.1 0.962 116.4 57.4 -51.0 -56.3 13.0 89.8 9.4 45 47 A N G 3 S+ 0 0 101 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.558 100.2 59.7 -55.5 -6.5 14.3 92.6 11.5 46 48 A E G < S+ 0 0 82 -3,-1.6 -1,-0.3 2,-0.1 2,-0.3 0.436 86.8 88.8-109.9 -0.5 14.3 90.4 14.6 47 49 A L S < S- 0 0 19 -3,-2.6 2,-0.2 -4,-0.3 223,-0.2 -0.655 91.7 -99.7 -79.3 149.2 16.7 87.9 13.1 48 50 A L - 0 0 6 221,-0.8 -2,-0.1 -2,-0.3 223,-0.1 -0.526 39.2-121.8 -65.1 135.8 20.5 88.6 13.7 49 51 A T > - 0 0 67 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.330 21.2-112.5 -69.0 159.5 22.1 90.1 10.6 50 52 A F H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.886 121.4 54.4 -60.0 -39.4 25.0 88.2 9.0 51 53 A D H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 107.5 50.6 -59.5 -37.6 27.3 91.1 10.2 52 54 A E H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.881 111.8 46.2 -69.6 -39.1 26.0 90.6 13.8 53 55 A M H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.899 110.3 53.0 -66.3 -41.7 26.8 86.9 13.6 54 56 A A H X S+ 0 0 18 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.883 111.9 47.0 -60.5 -42.0 30.2 87.5 12.1 55 57 A R H X S+ 0 0 71 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.859 111.4 49.1 -70.3 -42.8 31.0 89.9 15.0 56 58 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.944 113.1 48.3 -59.2 -46.8 29.7 87.5 17.7 57 59 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.853 107.5 56.0 -67.0 -38.2 31.8 84.6 16.2 58 60 A K H X S+ 0 0 72 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.915 111.0 43.3 -56.8 -46.4 34.9 86.8 16.0 59 61 A V H X S+ 0 0 0 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.777 111.8 53.2 -74.6 -30.1 34.7 87.6 19.7 60 62 A Y H ><>S+ 0 0 1 -4,-1.8 5,-2.4 2,-0.2 3,-0.6 0.873 103.0 58.5 -68.3 -42.0 33.9 83.9 20.7 61 63 A A H ><5S+ 0 0 6 -4,-2.3 3,-1.3 3,-0.2 -2,-0.2 0.888 104.0 53.3 -43.3 -47.4 37.1 82.8 18.7 62 64 A E H 3<5S+ 0 0 78 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.694 106.0 52.6 -64.2 -22.2 39.0 85.1 21.1 63 65 A L T <<5S- 0 0 3 -3,-0.6 -60,-0.7 -4,-0.5 -52,-0.3 0.371 134.3 -88.4 -96.1 2.0 37.5 83.2 24.0 64 66 A G T < 5S+ 0 0 0 -3,-1.3 2,-0.4 1,-0.3 -3,-0.2 0.538 73.6 149.6 105.9 12.1 38.6 79.9 22.5 65 67 A V < + 0 0 0 -5,-2.4 -1,-0.3 1,-0.1 -52,-0.2 -0.647 9.7 167.0 -76.0 133.5 35.8 78.8 20.2 66 68 A K + 0 0 60 -54,-2.2 29,-2.6 -2,-0.4 30,-1.6 0.464 57.8 57.3-118.6 -16.8 37.2 76.7 17.3 67 69 A K E -bd 13 96B 55 -55,-1.5 -53,-2.8 28,-0.2 2,-0.5 -0.992 57.3-168.7-133.2 123.6 34.0 75.2 15.9 68 70 A I E -bd 14 97B 0 28,-2.7 30,-3.1 -2,-0.4 2,-0.5 -0.967 4.2-164.8-113.1 132.8 30.9 76.8 14.5 69 71 A R E -bd 15 98B 23 -55,-3.2 -53,-3.2 -2,-0.5 2,-0.5 -0.950 8.7-150.1-116.5 130.5 27.7 74.9 13.7 70 72 A I E +bd 16 99B 0 28,-2.8 30,-2.4 -2,-0.5 2,-0.2 -0.826 34.8 143.3 -98.3 123.9 25.0 76.4 11.5 71 73 A T E +b 17 0B 27 -55,-3.4 -53,-3.3 -2,-0.5 -52,-0.4 -0.659 7.2 132.5-142.9-168.0 21.5 75.3 12.3 72 74 A G S S- 0 0 15 1,-0.6 2,-0.2 -55,-0.3 -52,-0.2 -0.584 77.4 -38.7-161.5-134.0 17.9 76.4 12.5 73 75 A G S S- 0 0 14 -52,-0.6 -1,-0.6 -2,-0.2 -51,-0.3 0.705 129.0 -31.2 68.9-178.5 15.2 75.8 11.8 74 76 A E > - 0 0 0 -53,-2.7 3,-2.0 -2,-0.2 4,-0.2 -0.958 68.7-156.0-101.8 108.8 16.2 74.5 8.4 75 77 A P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.753 86.8 68.9 -59.8 -27.8 19.3 76.8 7.8 76 78 A L G 3 S+ 0 0 4 1,-0.3 4,-0.1 -3,-0.1 5,-0.1 0.573 88.7 67.6 -74.5 -3.5 19.1 76.4 4.0 77 79 A M G < S+ 0 0 77 -3,-2.0 2,-0.6 -56,-0.2 -1,-0.3 0.668 77.0 94.8 -83.0 -13.6 15.9 78.4 4.2 78 80 A R S X S- 0 0 39 -3,-1.9 3,-0.9 -4,-0.2 -59,-0.1 -0.642 85.1-119.2 -81.9 115.6 17.8 81.6 5.2 79 81 A R T 3 S+ 0 0 197 -2,-0.6 -2,-0.1 1,-0.2 -1,-0.1 -0.236 89.5 10.3 -52.7 137.7 18.4 83.6 2.1 80 82 A D T >> S+ 0 0 81 -4,-0.1 3,-1.3 3,-0.1 4,-0.9 0.853 71.6 160.5 64.0 33.4 22.1 84.3 1.1 81 83 A L H <> + 0 0 9 -3,-0.9 4,-1.8 1,-0.2 3,-0.3 0.884 68.2 67.5 -52.5 -39.4 23.5 81.8 3.7 82 84 A D H 3> S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.824 91.2 61.5 -48.3 -35.2 26.8 81.8 1.6 83 85 A V H <> S+ 0 0 59 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.982 106.6 45.2 -57.4 -52.1 27.3 85.4 2.6 84 86 A L H X S+ 0 0 0 -4,-0.9 4,-2.1 -3,-0.3 -2,-0.2 0.880 111.9 50.7 -54.2 -46.3 27.4 84.2 6.3 85 87 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.940 109.2 52.2 -64.2 -45.8 29.7 81.3 5.5 86 88 A A H X S+ 0 0 41 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.883 110.4 47.2 -52.9 -48.4 32.1 83.6 3.6 87 89 A K H >< S+ 0 0 70 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.881 113.3 48.6 -63.8 -38.2 32.3 86.0 6.6 88 90 A L H >< S+ 0 0 1 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.821 102.0 62.4 -72.6 -32.1 32.9 83.1 9.1 89 91 A N H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.692 98.5 60.0 -64.0 -16.6 35.6 81.6 6.9 90 92 A Q T << S+ 0 0 153 -3,-0.8 2,-0.6 -4,-0.5 -1,-0.3 0.248 80.2 104.8 -95.6 12.7 37.5 84.9 7.5 91 93 A I X - 0 0 17 -3,-1.5 3,-1.0 3,-0.1 2,-0.2 -0.839 68.1-134.7-103.6 121.9 37.7 84.6 11.2 92 94 A D T 3 S+ 0 0 154 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.518 89.8 29.7 -77.3 139.6 41.1 83.5 12.6 93 95 A G T 3 S+ 0 0 32 1,-0.3 2,-0.6 -2,-0.2 -1,-0.2 -0.014 89.0 111.3 104.3 -32.0 40.9 80.8 15.3 94 96 A I < + 0 0 22 -3,-1.0 -1,-0.3 1,-0.2 -27,-0.2 -0.710 37.4 169.8 -79.2 117.0 37.8 79.2 13.8 95 97 A E + 0 0 135 -29,-2.6 2,-0.4 -2,-0.6 -28,-0.2 0.704 59.0 34.4-100.5 -29.3 38.9 75.8 12.4 96 98 A D E -d 67 0B 64 -30,-1.6 -28,-2.7 2,-0.0 2,-0.5 -0.995 54.8-176.1-139.4 124.2 35.7 74.0 11.5 97 99 A I E -d 68 0B 24 -2,-0.4 23,-0.7 -30,-0.2 22,-0.6 -0.984 18.1-178.0-122.3 122.2 32.4 75.3 10.2 98 100 A G E -de 69 120B 2 -30,-3.1 -28,-2.8 -2,-0.5 2,-0.4 -0.843 18.2-144.6-120.1 158.5 29.6 72.8 9.8 99 101 A L E -de 70 121B 0 21,-1.4 23,-3.0 -2,-0.3 2,-0.5 -0.989 2.8-158.7-122.2 132.9 26.0 72.8 8.6 100 102 A T E + e 0 122B 17 -30,-2.4 2,-0.3 -2,-0.4 23,-0.2 -0.947 32.4 153.6-104.7 119.8 23.1 70.7 10.0 101 103 A T E - 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