==== 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 2FB2 . 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) . 28792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.1 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 . 2 0.3 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 . 50 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 27.8 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 0 1 1 0 3 1 1 5 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 5 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 . 6 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 0 153 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.7 42.2 83.0 25.5 2 4 A Q - 0 0 85 62,-0.0 2,-0.3 8,-0.0 62,-0.2 -0.919 360.0-173.5-132.7 116.6 40.6 80.1 27.6 3 5 A I - 0 0 7 60,-0.9 8,-1.4 -2,-0.4 2,-0.3 -0.791 4.8-161.1-106.9 143.0 37.4 80.8 29.6 4 6 A K B -A 10 0A 72 -2,-0.3 306,-0.1 6,-0.2 2,-0.0 -0.948 9.9-138.5-124.9 146.1 35.8 78.3 32.0 5 7 A D > - 0 0 10 4,-2.0 3,-1.7 -2,-0.3 303,-0.2 -0.093 44.8 -76.9 -91.5-168.2 32.2 78.3 33.3 6 8 A K T 3 S+ 0 0 140 304,-2.7 305,-0.2 301,-0.3 302,-0.1 0.704 132.6 49.9 -69.5 -18.4 31.0 77.6 36.9 7 9 A L T 3 S- 0 0 28 303,-0.5 -1,-0.3 2,-0.1 640,-0.2 0.229 123.5-103.3-101.5 13.1 31.5 73.8 36.5 8 10 A G S < S+ 0 0 21 -3,-1.7 643,-0.2 1,-0.2 -2,-0.1 0.612 72.9 145.9 78.0 16.6 35.0 74.3 35.2 9 11 A R - 0 0 2 641,-0.1 -4,-2.0 253,-0.1 -1,-0.2 -0.738 41.6-136.5 -94.5 126.9 34.2 73.7 31.5 10 12 A P B -A 4 0A 2 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.376 23.5-108.2 -75.0 157.3 36.0 75.6 28.8 11 13 A I + 0 0 6 -8,-1.4 -8,-0.2 52,-0.3 253,-0.2 -0.748 56.2 142.1 -86.0 130.2 34.3 77.2 25.8 12 14 A R + 0 0 82 251,-2.8 54,-2.7 -2,-0.5 55,-1.7 0.606 52.2 47.8-133.8 -35.6 35.0 75.2 22.6 13 15 A D E -bc 67 264B 40 250,-2.3 252,-2.5 52,-0.2 2,-0.4 -0.870 51.3-161.4-118.8 148.6 31.9 75.0 20.4 14 16 A L E -bc 68 265B 2 53,-2.3 55,-2.9 -2,-0.3 2,-0.6 -0.982 7.8-156.3-125.9 116.8 29.3 77.4 19.0 15 17 A A E -bc 69 266B 5 250,-3.0 252,-2.2 -2,-0.4 2,-0.6 -0.852 15.0-160.3 -85.2 121.8 26.0 76.2 17.6 16 18 A L E -bc 70 267B 0 53,-3.9 55,-3.0 -2,-0.6 2,-0.6 -0.942 5.3-156.3-107.2 113.8 24.7 78.9 15.3 17 19 A S E -b 71 0B 16 250,-2.5 55,-0.3 -2,-0.6 254,-0.2 -0.802 12.3-178.6 -85.7 121.2 21.0 78.7 14.5 18 20 A V + 0 0 0 53,-2.7 2,-0.3 -2,-0.6 54,-0.2 0.577 60.6 9.7-104.1 -9.9 20.5 80.4 11.2 19 21 A T - 0 0 6 52,-0.4 54,-0.3 2,-0.1 -1,-0.2 -0.975 45.7-147.5-160.2 155.4 16.8 80.2 10.8 20 22 A D S S+ 0 0 29 -2,-0.3 2,-0.1 52,-0.2 52,-0.1 0.421 75.7 97.7 -94.5 -5.5 13.6 79.3 12.6 21 23 A R - 0 0 49 53,-0.1 53,-2.5 52,-0.1 52,-0.6 -0.457 51.2-176.2 -84.0 155.2 12.0 78.0 9.4 22 24 A C - 0 0 14 51,-0.2 -2,-0.0 -2,-0.1 50,-0.0 -0.998 33.0-145.6-148.8 154.4 11.9 74.4 8.3 23 25 A N S S+ 0 0 27 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.501 88.2 58.6 -95.2 -4.0 10.7 72.2 5.4 24 26 A F - 0 0 6 2,-0.0 114,-0.2 116,-0.0 113,-0.1 -0.757 64.3-153.0-109.9 166.2 9.7 69.3 7.7 25 27 A R - 0 0 18 112,-3.1 7,-0.5 -2,-0.3 10,-0.0 -0.468 22.7-170.6-130.3 59.8 7.2 69.2 10.6 26 28 A C >> - 0 0 27 5,-0.1 4,-1.9 1,-0.1 3,-1.7 -0.287 24.9-129.8 -54.4 131.2 8.7 66.3 12.6 27 29 A D T 34 S+ 0 0 74 109,-1.2 -1,-0.1 1,-0.3 6,-0.1 0.870 104.5 44.9 -56.5 -40.3 6.2 65.4 15.4 28 30 A Y T 34 S+ 0 0 43 2,-0.1 -1,-0.3 108,-0.1 -2,-0.1 0.471 128.4 24.0 -88.1 0.9 8.8 65.5 18.2 29 31 A C T <4 S+ 0 0 45 -3,-1.7 -2,-0.2 0, 0.0 -1,-0.1 0.656 136.7 11.7-129.6 -60.6 10.4 68.8 17.1 30 32 A M S < S- 0 0 16 -4,-1.9 -2,-0.1 4,-0.0 -3,-0.1 -0.574 75.8-169.8-123.8 68.9 8.1 71.0 15.0 31 33 A P >> - 0 0 30 0, 0.0 4,-3.1 0, 0.0 3,-1.4 -0.331 26.9-130.6 -65.5 142.2 4.7 69.4 15.3 32 34 A K T 34 S+ 0 0 97 -7,-0.5 5,-0.1 1,-0.3 -6,-0.1 0.707 104.5 69.8 -68.7 -16.8 2.2 70.9 12.9 33 35 A E T 34 S+ 0 0 146 1,-0.1 -1,-0.3 2,-0.1 3,-0.2 0.797 116.7 24.5 -64.3 -32.3 -0.3 71.3 15.8 34 36 A V T <4 S+ 0 0 83 -3,-1.4 2,-1.2 1,-0.2 -2,-0.2 0.834 129.4 43.8 -95.1 -52.3 2.0 74.1 17.1 35 37 A F S < S+ 0 0 45 -4,-3.1 -1,-0.2 4,-0.1 -2,-0.1 -0.541 92.9 127.2 -96.0 66.6 3.8 75.1 13.8 36 38 A G S > S- 0 0 20 -2,-1.2 3,-1.9 -3,-0.2 -3,-0.1 -0.132 75.5 -53.2-108.5-156.4 0.7 75.2 11.6 37 39 A D T 3 S+ 0 0 178 1,-0.3 -2,-0.0 -5,-0.1 -5,-0.0 0.767 132.7 42.2 -55.5 -34.4 -1.1 77.5 9.2 38 40 A D T 3 S+ 0 0 146 -4,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.257 82.0 121.0-102.6 11.8 -1.2 80.4 11.7 39 41 A F < - 0 0 72 -3,-1.9 2,-0.6 1,-0.0 -4,-0.1 -0.607 53.3-146.3 -77.5 135.3 2.3 80.1 13.2 40 42 A V - 0 0 125 -2,-0.3 2,-0.1 3,-0.0 -2,-0.1 -0.915 11.7-157.4-106.8 118.8 4.2 83.3 12.7 41 43 A F - 0 0 38 -2,-0.6 3,-0.1 1,-0.2 -20,-0.0 -0.328 40.6 -65.2 -85.7 172.6 7.9 82.9 12.1 42 44 A L - 0 0 36 -2,-0.1 -1,-0.2 1,-0.1 -22,-0.1 -0.357 52.3-113.0 -62.0 133.9 10.6 85.6 12.8 43 45 A P > - 0 0 70 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.307 34.8-111.7 -58.8 154.0 10.4 88.7 10.6 44 46 A K G > S+ 0 0 150 1,-0.3 3,-1.2 2,-0.2 -2,-0.1 0.830 114.8 55.9 -67.8 -33.6 13.5 88.7 8.4 45 47 A N G 3 S+ 0 0 105 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.649 96.9 65.8 -69.1 -19.3 15.1 91.8 10.1 46 48 A E G < S+ 0 0 73 -3,-1.3 -1,-0.2 2,-0.1 2,-0.2 0.487 87.3 87.8 -83.6 -2.7 14.9 90.0 13.5 47 49 A L S < S- 0 0 10 -3,-1.2 2,-0.2 -4,-0.3 223,-0.2 -0.616 91.3-102.6 -86.8 153.9 17.4 87.4 12.3 48 50 A L - 0 0 1 221,-0.8 2,-0.1 -2,-0.2 -2,-0.1 -0.540 35.6-125.8 -69.5 140.2 21.1 88.0 12.7 49 51 A T > - 0 0 62 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.436 23.5-109.5 -78.6 164.1 22.9 89.0 9.5 50 52 A F H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.856 120.6 55.5 -61.7 -37.4 25.9 87.0 8.2 51 53 A D H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.914 108.8 47.1 -60.7 -42.7 28.1 90.0 9.1 52 54 A E H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.918 112.1 49.9 -65.1 -45.2 26.8 89.9 12.7 53 55 A M H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.843 112.1 47.8 -59.6 -37.4 27.3 86.1 13.0 54 56 A A H X S+ 0 0 16 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.853 110.9 50.9 -74.9 -38.9 30.9 86.4 11.6 55 57 A R H X S+ 0 0 70 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.950 112.0 47.9 -59.9 -47.8 31.7 89.2 14.0 56 58 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 112.2 48.3 -59.4 -45.8 30.3 87.1 16.9 57 59 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.833 108.8 55.7 -64.4 -32.8 32.3 84.0 15.8 58 60 A K H X S+ 0 0 67 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.951 110.5 42.0 -63.9 -54.5 35.4 86.0 15.5 59 61 A V H X S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.912 114.5 52.5 -60.3 -46.1 35.3 87.3 19.1 60 62 A Y H ><>S+ 0 0 3 -4,-2.5 5,-2.2 -5,-0.2 3,-0.9 0.860 104.8 56.1 -57.2 -36.8 34.3 83.8 20.3 61 63 A A H ><5S+ 0 0 5 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.891 101.0 58.5 -62.4 -37.4 37.3 82.4 18.5 62 64 A E H 3<5S+ 0 0 68 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.714 105.6 50.5 -61.3 -18.4 39.4 84.9 20.6 63 65 A L T <<5S- 0 0 5 -3,-0.9 -60,-0.9 -4,-0.6 -52,-0.3 0.237 134.9 -81.0-107.6 8.7 38.0 83.2 23.7 64 66 A G T < 5S+ 0 0 10 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.377 76.6 146.9 111.5 -1.9 38.8 79.6 22.6 65 67 A V < + 0 0 0 -5,-2.2 -1,-0.3 1,-0.2 -52,-0.2 -0.520 8.7 163.0 -65.9 126.0 36.0 78.6 20.2 66 68 A K + 0 0 46 -54,-2.7 29,-2.3 -2,-0.3 30,-1.9 0.502 56.3 55.8-117.1 -19.8 37.4 76.2 17.6 67 69 A K E -bd 13 96B 75 -55,-1.7 -53,-2.3 28,-0.2 2,-0.4 -0.978 55.6-168.4-130.3 134.1 34.2 74.6 16.2 68 70 A I E -bd 14 97B 0 28,-2.4 30,-2.6 -2,-0.4 2,-0.5 -0.989 5.6-163.4-121.5 127.6 31.0 76.1 14.7 69 71 A R E -bd 15 98B 63 -55,-2.9 -53,-3.9 -2,-0.4 2,-0.5 -0.943 10.5-147.8-113.2 125.0 27.9 74.1 14.0 70 72 A I E +bd 16 99B 0 28,-2.6 30,-2.6 -2,-0.5 2,-0.2 -0.810 36.5 142.2 -96.1 128.9 25.3 75.5 11.7 71 73 A T E +b 17 0B 12 -55,-3.0 -53,-2.7 -2,-0.5 -52,-0.4 -0.725 7.4 126.9-149.2-165.4 21.8 74.5 12.6 72 74 A G S S- 0 0 14 1,-0.5 2,-0.2 -55,-0.3 -52,-0.2 -0.652 79.3 -34.1-165.4-140.1 18.2 75.8 12.7 73 75 A G S S- 0 0 12 -52,-0.6 -1,-0.5 -54,-0.3 -51,-0.2 0.709 128.9 -32.8 58.2-179.2 15.4 75.2 11.9 74 76 A E > - 0 0 0 -53,-2.5 3,-1.8 -2,-0.2 4,-0.3 -0.924 66.5-154.9-100.9 109.3 16.6 73.7 8.6 75 77 A P G > S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.790 85.6 67.3 -59.4 -28.9 19.7 75.7 7.8 76 78 A L G 3 S+ 0 0 4 1,-0.3 5,-0.1 -3,-0.1 4,-0.1 0.628 90.2 67.3 -70.1 -11.7 19.6 75.1 4.0 77 79 A M G < S+ 0 0 77 -3,-1.8 2,-0.6 -56,-0.2 -1,-0.3 0.673 76.2 98.1 -77.5 -16.0 16.4 77.2 4.0 78 80 A R S X S- 0 0 40 -3,-2.0 3,-0.9 -4,-0.3 -59,-0.1 -0.625 85.6-116.3 -75.7 119.5 18.5 80.3 4.9 79 81 A R T 3 S+ 0 0 206 -2,-0.6 -2,-0.1 1,-0.2 -1,-0.1 -0.227 90.0 4.7 -57.9 138.2 19.1 82.2 1.6 80 82 A D T >> S+ 0 0 62 -4,-0.1 3,-1.1 1,-0.1 4,-0.8 0.848 73.5 160.3 56.9 41.7 22.8 82.5 0.6 81 83 A L H <> + 0 0 7 -3,-0.9 4,-2.1 1,-0.3 3,-0.3 0.769 66.8 69.3 -62.0 -32.9 24.1 80.4 3.4 82 84 A D H 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.824 91.0 60.8 -53.2 -34.6 27.3 79.8 1.4 83 85 A V H <> S+ 0 0 56 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.941 105.9 47.0 -60.5 -44.9 28.1 83.5 2.1 84 86 A L H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.3 3,-0.3 0.934 109.6 52.1 -60.7 -49.3 28.1 82.7 5.8 85 87 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.923 109.3 51.7 -53.0 -41.4 30.3 79.6 5.3 86 88 A A H < S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 110.7 46.3 -66.9 -35.2 32.8 81.8 3.4 87 89 A K H >< S+ 0 0 71 -4,-1.6 3,-1.1 -3,-0.3 -1,-0.2 0.881 112.0 50.3 -74.8 -39.2 33.0 84.4 6.1 88 90 A L H >< S+ 0 0 1 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.807 104.1 59.8 -67.5 -30.0 33.4 81.8 8.9 89 91 A N T 3< S+ 0 0 89 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.570 98.7 60.8 -72.3 -9.8 36.2 80.2 6.8 90 92 A Q T < S+ 0 0 156 -3,-1.1 2,-0.5 -4,-0.1 -1,-0.2 0.452 82.9 103.1 -96.6 2.3 38.0 83.5 7.1 91 93 A I X - 0 0 19 -3,-1.2 3,-1.3 -4,-0.1 2,-0.1 -0.766 69.4-130.1 -97.9 121.3 38.2 83.5 10.9 92 94 A D T 3 S+ 0 0 150 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.417 92.4 26.6 -63.6 134.2 41.5 82.6 12.7 93 95 A G T 3 S+ 0 0 31 1,-0.3 2,-0.7 -2,-0.1 -1,-0.2 0.007 87.9 114.0 101.1 -26.0 41.1 79.9 15.4 94 96 A I < + 0 0 24 -3,-1.3 -1,-0.3 1,-0.2 -27,-0.2 -0.712 33.9 168.9 -81.7 115.7 38.1 78.3 13.9 95 97 A E + 0 0 127 -29,-2.3 2,-0.4 -2,-0.7 -28,-0.2 0.680 59.3 34.3 -97.5 -25.7 39.3 74.8 12.9 96 98 A D E -d 67 0B 52 -30,-1.9 -28,-2.4 2,-0.0 2,-0.4 -0.998 50.4-172.9-141.7 134.7 35.9 73.2 12.0 97 99 A I E -d 68 0B 18 -2,-0.4 22,-0.5 -30,-0.2 23,-0.5 -0.999 18.1-178.0-121.9 127.2 32.5 74.1 10.5 98 100 A G E -d 69 0B 5 -30,-2.6 -28,-2.6 -2,-0.4 2,-0.4 -0.862 14.0-149.5-123.5 157.2 29.7 71.5 10.6 99 101 A L E -de 70 121B 0 21,-0.7 23,-3.2 -2,-0.3 2,-0.6 -0.996 0.8-158.8-130.6 128.2 26.2 71.5 9.2 100 102 A T E + e 0 122B 6 -30,-2.6 2,-0.3 -2,-0.4 23,-0.2 -0.930 32.8 154.1-103.1 121.8 23.2 69.7 10.7 101 103 A T E - e 0 123B 0 21,-2.3 23,-2.7 -2,-0.6 -27,-0.1 -0.960 58.7-128.0-144.7 154.5 20.6 69.3 8.0 102 104 A N - 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