==== 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 28-JUN-04 1TV8 . 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) . 29454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 5.5 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 . 47 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 0 2 0 4 1 3 2 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 7 4 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 . 4 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 0 177 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.4 42.0 83.5 25.7 2 4 A Q - 0 0 88 62,-0.0 2,-0.4 8,-0.0 62,-0.1 -0.948 360.0-174.4-132.4 117.8 40.3 80.6 27.8 3 5 A I - 0 0 11 60,-0.9 8,-1.2 -2,-0.4 2,-0.3 -0.830 4.8-162.1-114.6 137.7 37.2 81.4 29.7 4 6 A K B -A 10 0A 73 -2,-0.4 2,-0.1 6,-0.2 306,-0.1 -0.949 9.2-136.9-123.9 149.5 35.5 78.9 32.0 5 7 A D > - 0 0 9 4,-1.8 3,-2.1 -2,-0.3 303,-0.2 -0.220 45.6 -76.5 -94.2-174.2 32.0 78.8 33.4 6 8 A K T 3 S+ 0 0 144 304,-1.9 305,-0.1 301,-0.3 302,-0.1 0.678 131.4 49.4 -62.9 -18.1 30.8 78.1 37.0 7 9 A L T 3 S- 0 0 25 303,-0.5 -1,-0.3 2,-0.1 640,-0.1 0.101 121.7-101.8-106.2 23.6 31.3 74.3 36.4 8 10 A G S < S+ 0 0 20 -3,-2.1 643,-0.3 1,-0.2 -2,-0.1 0.511 74.4 143.2 79.8 2.9 34.9 74.6 35.0 9 11 A R - 0 0 2 641,-0.1 -4,-1.8 253,-0.1 -1,-0.2 -0.664 42.5-138.2 -89.0 127.9 33.8 74.2 31.4 10 12 A P B -A 4 0A 9 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.398 22.8-109.3 -74.6 154.3 35.6 76.1 28.6 11 13 A I + 0 0 7 -8,-1.2 -8,-0.2 52,-0.3 253,-0.2 -0.743 56.1 142.4 -80.7 132.9 33.8 77.8 25.7 12 14 A R + 0 0 84 251,-2.4 54,-2.7 -2,-0.4 55,-1.6 0.557 51.1 49.4-141.4 -30.5 34.6 75.9 22.5 13 15 A D E -bc 67 264B 33 250,-2.3 252,-2.7 52,-0.2 2,-0.5 -0.937 53.5-160.2-127.5 142.6 31.6 75.7 20.2 14 16 A L E -bc 68 265B 1 53,-2.1 55,-2.6 -2,-0.4 2,-0.6 -0.990 6.0-158.4-122.5 120.0 29.1 78.2 18.9 15 17 A R E -bc 69 266B 52 250,-2.8 252,-2.6 -2,-0.5 2,-0.6 -0.919 12.4-163.4 -94.1 118.0 25.7 77.1 17.6 16 18 A L E -bc 70 267B 2 53,-3.2 55,-2.6 -2,-0.6 2,-0.6 -0.922 5.6-157.7-106.9 112.5 24.4 79.9 15.3 17 19 A S E -b 71 0B 14 250,-2.3 55,-0.3 -2,-0.6 254,-0.2 -0.779 10.5-176.7 -89.1 125.2 20.7 79.6 14.5 18 20 A V + 0 0 0 53,-3.2 2,-0.3 -2,-0.6 54,-0.2 0.534 60.9 9.9-108.2 -10.0 20.1 81.5 11.3 19 21 A T - 0 0 6 52,-0.4 -1,-0.3 2,-0.1 54,-0.2 -0.958 46.4-146.6-157.7 155.9 16.4 81.3 10.9 20 22 A D S S+ 0 0 29 -2,-0.3 52,-0.1 52,-0.2 -1,-0.1 0.445 75.3 101.7 -92.3 -10.2 13.3 80.2 12.8 21 23 A R - 0 0 76 53,-0.1 53,-2.2 52,-0.1 52,-0.6 -0.353 49.6-176.8 -69.7 153.8 11.7 79.1 9.5 22 24 A C - 0 0 14 51,-0.2 -2,-0.0 50,-0.1 -1,-0.0 -0.996 32.2-148.6-150.1 153.9 11.5 75.5 8.4 23 25 A N S S+ 0 0 26 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.514 88.4 56.0 -98.1 -5.4 10.3 73.4 5.4 24 26 A F - 0 0 6 116,-0.0 114,-0.2 2,-0.0 113,-0.1 -0.662 66.0-151.7-109.3 172.6 9.3 70.5 7.5 25 27 A R - 0 0 17 112,-2.6 7,-0.4 -2,-0.2 10,-0.0 -0.519 21.9-166.2-138.0 65.4 7.0 70.2 10.5 26 28 A C >> - 0 0 26 5,-0.1 3,-2.0 1,-0.1 4,-1.5 -0.329 24.6-126.7 -63.4 132.9 8.5 67.3 12.5 27 29 A D T 34 S+ 0 0 80 109,-1.2 -1,-0.1 1,-0.3 110,-0.1 0.871 106.4 42.4 -54.2 -38.2 6.0 66.2 15.1 28 30 A Y T 34 S+ 0 0 44 2,-0.1 -1,-0.3 108,-0.1 -2,-0.1 0.380 127.1 27.1 -90.9 5.6 8.5 66.5 18.0 29 31 A C T <4 S+ 0 0 47 -3,-2.0 -2,-0.2 0, 0.0 -1,-0.1 0.634 136.3 9.1-130.8 -58.9 10.1 69.8 17.0 30 32 A M S < S- 0 0 15 -4,-1.5 -2,-0.1 5,-0.0 -3,-0.1 -0.571 75.6-168.4-127.3 72.9 7.8 72.0 15.0 31 33 A P >> - 0 0 33 0, 0.0 4,-2.8 0, 0.0 3,-1.2 -0.333 27.2-127.3 -59.4 140.0 4.4 70.3 15.2 32 34 A K T 34 S+ 0 0 105 -7,-0.4 5,-0.1 1,-0.2 -6,-0.1 0.693 105.5 69.8 -59.7 -22.0 1.9 71.8 12.7 33 35 A E T 34 S+ 0 0 158 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.806 115.9 25.0 -70.4 -27.3 -0.6 72.3 15.6 34 36 A V T <4 S+ 0 0 83 -3,-1.2 2,-0.9 1,-0.1 -2,-0.2 0.826 129.3 43.0 -98.8 -51.9 1.7 75.0 17.0 35 37 A F S < S+ 0 0 45 -4,-2.8 -2,-0.2 4,-0.1 -1,-0.1 -0.497 91.7 124.2 -94.0 64.8 3.6 76.1 13.8 36 38 A G S > S- 0 0 16 -2,-0.9 3,-1.7 -3,-0.2 -3,-0.1 -0.169 78.7 -55.2-108.5-155.5 0.5 76.1 11.4 37 39 A D T 3 S+ 0 0 170 1,-0.3 -2,-0.0 -2,-0.1 -5,-0.0 0.770 130.9 45.5 -61.8 -40.0 -1.1 78.7 9.2 38 40 A D T 3 S+ 0 0 142 2,-0.1 -1,-0.3 -4,-0.0 -3,-0.1 0.473 81.5 118.1 -86.4 -2.9 -1.6 81.5 11.8 39 41 A F < - 0 0 72 -3,-1.7 2,-0.5 1,-0.1 -4,-0.1 -0.350 58.2-142.0 -61.3 140.7 1.9 81.2 13.4 40 42 A V - 0 0 126 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.950 14.9-157.6-104.3 115.4 3.8 84.5 13.0 41 43 A F - 0 0 38 -2,-0.5 -20,-0.0 1,-0.2 -6,-0.0 -0.273 39.2 -69.7 -79.4 170.3 7.6 83.9 12.3 42 44 A L - 0 0 37 1,-0.1 -1,-0.2 2,-0.1 -22,-0.1 -0.426 51.0-112.3 -66.1 136.3 10.2 86.6 13.0 43 45 A P > - 0 0 68 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.305 32.1-111.1 -59.2 149.7 10.2 89.7 10.8 44 46 A K G > S+ 0 0 125 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.908 116.9 54.1 -54.4 -47.4 13.3 89.8 8.6 45 47 A N G 3 S+ 0 0 105 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.620 99.0 63.6 -65.8 -16.4 14.8 92.8 10.5 46 48 A E G < S+ 0 0 69 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.486 87.4 88.5 -85.2 -6.2 14.6 91.0 13.8 47 49 A L S < S- 0 0 6 -3,-2.0 2,-0.2 -4,-0.4 223,-0.1 -0.552 92.9-103.0 -76.0 150.9 17.1 88.3 12.5 48 50 A L - 0 0 4 221,-0.6 2,-0.2 -2,-0.2 -2,-0.1 -0.573 38.1-121.6 -61.9 140.4 20.7 89.0 13.1 49 51 A T > - 0 0 62 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.512 21.5-111.2 -76.9 160.9 22.5 90.2 10.0 50 52 A F H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 120.3 54.1 -61.6 -37.0 25.4 88.2 8.6 51 53 A D H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 108.2 50.4 -60.8 -41.2 27.8 91.1 9.6 52 54 A E H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.946 111.7 48.3 -63.2 -43.9 26.4 90.9 13.1 53 55 A M H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.894 110.8 49.3 -61.3 -40.7 27.0 87.2 13.2 54 56 A A H X S+ 0 0 17 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.889 112.1 48.9 -67.7 -40.9 30.6 87.5 11.8 55 57 A R H X S+ 0 0 73 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.908 112.5 48.1 -66.1 -39.0 31.4 90.1 14.4 56 58 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.935 112.4 49.6 -66.8 -42.4 29.9 88.0 17.2 57 59 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.891 108.4 53.5 -65.6 -37.9 31.9 84.9 15.9 58 60 A K H X S+ 0 0 81 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.934 109.7 45.3 -60.3 -51.2 35.1 86.9 15.8 59 61 A V H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.914 112.8 51.8 -64.8 -40.9 34.9 88.1 19.4 60 62 A Y H ><>S+ 0 0 0 -4,-2.2 5,-2.4 -5,-0.2 3,-0.6 0.868 103.0 59.1 -60.4 -37.0 34.0 84.5 20.5 61 63 A A H ><5S+ 0 0 8 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.907 102.1 55.1 -58.5 -37.5 37.0 83.2 18.6 62 64 A E H 3<5S+ 0 0 68 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 105.6 52.3 -63.3 -25.0 39.1 85.5 20.9 63 65 A L T <<5S- 0 0 5 -4,-0.8 -60,-0.9 -3,-0.6 -52,-0.3 0.281 133.7 -87.1 -95.3 9.9 37.5 83.8 23.9 64 66 A G T < 5S+ 0 0 16 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.367 73.1 150.1 102.9 1.8 38.4 80.3 22.6 65 67 A V < + 0 0 0 -5,-2.4 -1,-0.3 1,-0.2 -52,-0.2 -0.489 9.9 167.7 -64.3 133.2 35.5 79.2 20.3 66 68 A K + 0 0 56 -54,-2.7 29,-2.1 1,-0.2 30,-1.5 0.485 56.7 49.1-119.2 -24.1 37.0 76.9 17.7 67 69 A K E -bd 13 96B 63 -55,-1.6 -53,-2.1 28,-0.2 2,-0.4 -0.985 56.7-166.5-126.6 140.9 33.8 75.4 16.0 68 70 A I E -bd 14 97B 2 28,-2.0 30,-2.7 -2,-0.4 2,-0.5 -0.998 4.3-163.6-124.3 129.5 30.7 77.0 14.6 69 71 A R E -bd 15 98B 60 -55,-2.6 -53,-3.2 -2,-0.4 2,-0.5 -0.948 10.7-147.9-109.6 127.8 27.6 75.0 13.7 70 72 A I E +bd 16 99B 0 28,-3.1 30,-2.8 -2,-0.5 2,-0.2 -0.828 37.5 138.1 -95.8 129.4 25.0 76.7 11.5 71 73 A T E +b 17 0B 11 -55,-2.6 -53,-3.2 -2,-0.5 -52,-0.4 -0.742 9.8 138.0-150.7-160.4 21.4 75.6 12.3 72 74 A G S S- 0 0 15 1,-0.7 -52,-0.2 -55,-0.3 2,-0.2 -0.548 79.5 -36.2-163.5-132.0 17.9 76.9 12.6 73 75 A G S S- 0 0 11 -52,-0.6 -1,-0.7 -2,-0.2 -51,-0.2 0.705 131.3 -29.6 55.9-173.8 15.1 76.2 11.9 74 76 A E > - 0 0 0 -53,-2.2 3,-1.9 -2,-0.2 4,-0.3 -0.922 67.7-154.2-101.3 107.1 16.3 74.7 8.6 75 77 A P G > S+ 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.791 86.8 68.4 -59.4 -27.8 19.4 76.9 7.8 76 78 A L G 3 S+ 0 0 3 1,-0.3 5,-0.1 -3,-0.1 4,-0.1 0.639 88.7 66.5 -66.4 -16.6 19.1 76.4 4.0 77 79 A M G < S+ 0 0 78 -3,-1.9 2,-0.6 -56,-0.2 -1,-0.3 0.689 77.4 99.5 -72.5 -16.7 16.0 78.5 4.1 78 80 A R S X S- 0 0 23 -3,-1.8 3,-1.2 -4,-0.3 -59,-0.1 -0.601 84.4-116.4 -76.7 118.7 18.0 81.5 5.1 79 81 A R T 3 S+ 0 0 186 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 -0.231 89.9 4.1 -53.6 134.1 18.7 83.6 1.9 80 82 A D T >> S+ 0 0 85 -4,-0.1 3,-1.5 1,-0.1 4,-0.8 0.818 72.2 162.7 58.0 39.0 22.3 84.0 0.8 81 83 A L H <> + 0 0 9 -3,-1.2 4,-2.2 1,-0.2 3,-0.4 0.791 66.7 70.1 -53.6 -34.0 23.6 81.7 3.5 82 84 A D H 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.839 90.5 59.5 -56.5 -29.6 26.9 81.4 1.4 83 85 A V H <> S+ 0 0 58 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.915 106.6 47.5 -67.7 -40.9 27.7 85.0 2.3 84 86 A L H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.4 5,-0.3 0.923 109.1 52.3 -62.8 -47.6 27.7 84.0 6.0 85 87 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.937 109.3 52.0 -54.6 -39.6 29.8 81.0 5.4 86 88 A A H < S+ 0 0 43 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.884 109.7 47.1 -68.8 -39.5 32.4 83.3 3.5 87 89 A K H >< S+ 0 0 69 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.917 112.7 49.6 -69.1 -36.0 32.6 85.8 6.4 88 90 A L H >< S+ 0 0 1 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.872 103.0 61.5 -72.0 -32.8 33.0 83.0 9.0 89 91 A N T 3< S+ 0 0 91 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.609 98.1 59.2 -65.1 -14.6 35.7 81.4 6.8 90 92 A Q T < S+ 0 0 158 -3,-1.2 2,-0.6 -4,-0.4 -1,-0.3 0.321 81.4 107.9 -93.6 8.8 37.7 84.7 7.3 91 93 A I X - 0 0 20 -3,-1.7 3,-1.6 -4,-0.0 2,-0.1 -0.820 67.6-129.8-103.1 116.6 37.9 84.5 11.1 92 94 A D T 3 S+ 0 0 149 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.305 92.6 25.5 -54.9 134.1 41.2 83.6 12.8 93 95 A G T 3 S+ 0 0 33 1,-0.3 2,-0.6 -2,-0.1 -1,-0.2 0.032 88.2 113.4 99.2 -26.5 40.9 80.9 15.4 94 96 A I < + 0 0 24 -3,-1.6 -1,-0.3 -6,-0.2 -27,-0.2 -0.694 34.5 170.4 -78.8 121.1 37.8 79.2 13.8 95 97 A E + 0 0 107 -29,-2.1 2,-0.3 -2,-0.6 -28,-0.2 0.636 60.5 33.2-100.1 -25.3 39.0 75.8 12.6 96 98 A D E -d 67 0B 49 -30,-1.5 -28,-2.0 2,-0.0 2,-0.4 -0.997 52.2-173.9-140.7 134.4 35.6 74.1 11.7 97 99 A I E -d 68 0B 21 -2,-0.3 22,-0.5 -30,-0.2 23,-0.5 -0.995 18.3-179.7-125.4 127.5 32.3 75.3 10.3 98 100 A G E -d 69 0B 3 -30,-2.7 -28,-3.1 -2,-0.4 2,-0.4 -0.882 14.8-150.8-128.2 154.5 29.5 72.8 10.2 99 101 A L E -de 70 121B 0 21,-0.9 23,-2.9 -2,-0.3 2,-0.5 -0.996 1.4-157.7-127.7 133.4 25.9 72.8 9.0 100 102 A T E + e 0 122B 9 -30,-2.8 2,-0.3 -2,-0.4 23,-0.2 -0.964 29.7 153.7-115.7 128.2 23.0 70.8 10.2 101 103 A T E - e 0 123B 0 21,-2.1 23,-2.4 -2,-0.5 -27,-0.1 -0.953 57.9-122.3-145.4 150.9 20.2 70.5 7.8 102 104 A N - 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