==== 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 BIOSYNTHETIC PROTEIN 19-FEB-07 2EEY . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR N.K.LOKANATH,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 24.4 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 . 1 0.6 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 . 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 . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 24.4 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+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 0 0 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 1 0 0 0 1 0 0 0 1 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 2 A S 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 -4.8 -15.5 8.2 2 3 A S - 0 0 104 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.995 360.0 -82.7-163.8 159.8 -8.0 -16.2 6.2 3 4 A F - 0 0 167 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.315 26.9-168.9 -65.5 149.6 -11.8 -15.8 6.2 4 5 A T S S+ 0 0 82 1,-0.0 -1,-0.1 9,-0.0 9,-0.0 0.522 75.7 70.8-111.0 -14.8 -13.8 -18.4 8.1 5 6 A H S S+ 0 0 84 9,-0.1 8,-1.9 10,-0.1 2,-0.4 0.270 84.5 80.1 -92.4 14.1 -17.3 -17.5 6.8 6 7 A F B -A 12 0A 106 6,-0.2 6,-0.2 4,-0.0 2,-0.1 -0.948 67.1-143.7-121.6 144.1 -16.7 -18.9 3.2 7 8 A N > - 0 0 57 4,-3.1 3,-2.3 -2,-0.4 6,-0.0 -0.207 41.1 -77.1 -94.2-173.1 -16.9 -22.5 2.1 8 9 A E T 3 S+ 0 0 205 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.643 130.3 50.4 -58.9 -17.5 -15.1 -24.7 -0.4 9 10 A Q T 3 S- 0 0 136 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.259 120.2-104.1-106.3 11.3 -17.1 -23.0 -3.2 10 11 A G S < S+ 0 0 54 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.779 83.0 118.3 74.3 26.4 -16.4 -19.4 -2.2 11 12 A R S S- 0 0 147 1,-0.0 -4,-3.1 -4,-0.0 -1,-0.3 -0.859 70.8 -79.0-124.4 160.4 -19.9 -18.9 -0.7 12 13 A A B +A 6 0A 56 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.264 49.1 170.0 -62.8 136.7 -21.1 -18.0 2.8 13 14 A K - 0 0 88 -8,-1.9 2,-0.9 -6,-0.0 61,-0.1 -0.949 40.4-113.0-140.7 159.4 -21.4 -20.7 5.5 14 15 A M - 0 0 95 -2,-0.3 61,-0.1 61,-0.0 3,-0.1 -0.876 48.3-117.0 -95.6 108.6 -22.0 -20.8 9.2 15 16 A V - 0 0 33 -2,-0.9 2,-0.5 59,-0.2 -10,-0.1 -0.150 24.8-114.2 -49.1 131.8 -18.7 -22.0 10.6 16 17 A D + 0 0 104 1,-0.1 3,-0.1 2,-0.0 -1,-0.1 -0.581 38.5 170.8 -73.1 120.6 -18.9 -25.4 12.3 17 18 A I + 0 0 33 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.066 38.8 118.3-116.9 21.3 -18.1 -24.9 16.0 18 19 A T S S+ 0 0 113 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.864 77.2 44.3 -55.7 -43.1 -19.0 -28.4 17.1 19 20 A H S S+ 0 0 171 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.822 91.4 99.2 -75.6 -32.8 -15.5 -29.3 18.4 20 21 A K S S- 0 0 91 1,-0.1 2,-0.2 89,-0.1 89,-0.1 -0.025 76.1-111.4 -52.3 158.8 -14.8 -26.1 20.2 21 22 A E - 0 0 163 87,-0.1 2,-0.6 88,-0.1 -1,-0.1 -0.595 23.8-111.1 -95.1 157.6 -15.3 -25.9 24.0 22 23 A D + 0 0 105 -2,-0.2 2,-0.3 87,-0.1 87,-0.2 -0.789 47.8 157.3 -92.1 120.3 -17.9 -24.0 26.0 23 24 A T E -B 108 0B 49 85,-2.0 85,-2.1 -2,-0.6 2,-0.5 -0.873 49.8 -82.0-135.5 167.7 -16.5 -21.1 28.0 24 25 A V E -B 107 0B 92 -2,-0.3 2,-0.4 83,-0.2 83,-0.2 -0.599 50.7-172.2 -74.4 122.8 -17.8 -17.9 29.5 25 26 A R E +B 106 0B 15 81,-2.5 81,-2.1 -2,-0.5 2,-0.3 -0.958 9.7 179.0-123.8 137.1 -17.8 -15.2 26.8 26 27 A V E -BC 105 149B 25 123,-1.2 123,-2.4 -2,-0.4 2,-0.3 -0.969 4.3-172.0-133.9 148.3 -18.5 -11.5 27.1 27 28 A A E -BC 104 148B 0 77,-2.1 77,-2.6 -2,-0.3 2,-0.5 -0.998 5.8-163.2-143.3 138.3 -18.5 -8.6 24.6 28 29 A V E -BC 103 147B 17 119,-2.9 118,-3.4 -2,-0.3 119,-1.6 -0.988 12.4-179.1-125.0 123.6 -18.8 -4.9 25.0 29 30 A A E -BC 102 145B 0 73,-2.6 73,-2.5 -2,-0.5 2,-0.3 -0.893 7.0-158.7-122.1 153.5 -19.7 -2.6 22.1 30 31 A Q E +BC 101 144B 48 114,-2.9 114,-2.5 -2,-0.3 2,-0.3 -0.970 19.7 147.5-136.3 148.3 -20.0 1.2 21.9 31 32 A T E -B 100 0B 1 69,-2.2 69,-2.8 -2,-0.3 2,-0.3 -0.846 21.0-151.4-154.8-171.6 -21.7 3.7 19.7 32 33 A S E -B 99 0B 5 67,-0.3 109,-3.0 -2,-0.3 2,-0.4 -0.985 14.0-132.7-164.2 168.2 -23.4 7.1 20.0 33 34 A V E -BD 98 140B 0 65,-1.8 65,-2.9 -2,-0.3 2,-0.5 -0.975 17.5-153.7-133.6 117.0 -25.9 9.5 18.7 34 35 A T E -BD 97 139B 41 105,-2.9 105,-1.9 -2,-0.4 2,-0.3 -0.821 25.8-178.5 -92.0 126.4 -24.9 13.2 18.1 35 36 A V E -B 96 0B 8 61,-2.2 61,-0.8 -2,-0.5 -2,-0.0 -0.795 28.8 -95.6-126.3 166.9 -28.0 15.4 18.4 36 37 A S > - 0 0 36 -2,-0.3 4,-2.2 59,-0.1 5,-0.2 -0.278 42.6-106.1 -73.1 164.2 -29.0 19.1 18.1 37 38 A R H > S+ 0 0 172 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 120.4 55.9 -59.6 -39.8 -29.3 21.2 21.2 38 39 A E H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 107.4 47.5 -59.9 -44.8 -33.1 21.1 21.0 39 40 A I H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 112.4 49.6 -63.6 -43.0 -33.1 17.3 21.0 40 41 A Y H X S+ 0 0 66 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.932 110.6 51.3 -60.7 -44.9 -30.7 17.2 24.0 41 42 A E H X S+ 0 0 84 -4,-2.7 4,-0.6 1,-0.2 3,-0.2 0.899 111.3 45.7 -60.5 -43.3 -32.9 19.7 25.9 42 43 A K H < S+ 0 0 78 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.773 112.9 50.7 -74.6 -23.2 -36.1 17.8 25.4 43 44 A M H < S+ 0 0 40 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.682 113.7 44.6 -85.2 -18.7 -34.5 14.5 26.4 44 45 A T H < S+ 0 0 66 -4,-1.4 2,-0.4 -3,-0.2 -2,-0.2 0.394 105.8 64.9-107.4 4.0 -33.0 15.9 29.6 45 46 A S < - 0 0 55 -4,-0.6 4,-0.3 -3,-0.2 3,-0.3 -0.988 50.8-168.3-128.9 137.5 -36.0 17.8 30.9 46 47 A N + 0 0 104 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.263 61.9 108.0-103.1 9.7 -39.3 16.5 32.1 47 48 A A S S- 0 0 78 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.861 106.2 -11.1 -54.0 -41.0 -40.9 20.0 32.3 48 49 A I S S+ 0 0 142 1,-0.3 2,-0.9 -3,-0.3 -2,-0.1 0.642 131.5 57.7-126.7 -54.3 -43.0 19.2 29.2 49 50 A E + 0 0 105 -4,-0.3 -1,-0.3 1,-0.2 -4,-0.1 -0.765 54.4 171.3 -86.6 108.2 -41.9 16.0 27.5 50 51 A K + 0 0 151 -2,-0.9 -1,-0.2 -3,-0.1 -4,-0.1 0.562 38.8 115.7 -94.6 -7.8 -42.2 13.3 30.1 51 52 A G - 0 0 61 1,-0.1 2,-0.9 2,-0.0 -2,-0.0 -0.357 64.8-133.4 -64.1 137.3 -41.6 10.4 27.7 52 53 A D > - 0 0 101 1,-0.2 4,-1.2 -2,-0.1 3,-0.1 -0.796 22.9-179.2 -96.6 100.5 -38.4 8.4 28.4 53 54 A V H > S+ 0 0 23 -2,-0.9 4,-2.5 1,-0.2 3,-0.2 0.896 82.1 55.2 -64.3 -40.6 -36.6 8.0 25.1 54 55 A L H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 101.8 56.8 -63.8 -33.8 -33.7 6.0 26.7 55 56 A A H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 111.3 43.7 -63.9 -39.4 -36.2 3.4 28.2 56 57 A V H X S+ 0 0 62 -4,-1.2 4,-2.4 -3,-0.2 -2,-0.2 0.914 114.5 48.2 -70.8 -45.6 -37.5 2.7 24.7 57 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.861 109.3 54.8 -63.9 -36.8 -34.1 2.5 23.1 58 59 A Q H X S+ 0 0 50 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.948 109.2 46.7 -61.3 -49.9 -32.8 0.3 25.9 59 60 A V H X S+ 0 0 82 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.923 112.2 50.5 -58.6 -45.8 -35.7 -2.2 25.3 60 61 A A H X S+ 0 0 23 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.910 110.0 50.9 -59.5 -42.6 -35.1 -2.1 21.5 61 62 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.903 110.2 47.5 -62.9 -43.7 -31.4 -2.8 22.0 62 63 A V H X S+ 0 0 42 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.928 113.8 47.5 -63.9 -44.9 -31.9 -5.8 24.3 63 64 A M H X S+ 0 0 108 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.850 108.6 55.8 -65.6 -33.2 -34.4 -7.3 21.9 64 65 A A H X S+ 0 0 8 -4,-2.2 4,-0.6 -5,-0.2 3,-0.3 0.867 99.2 60.2 -66.9 -36.4 -32.0 -6.7 19.0 65 66 A A H >< S+ 0 0 2 -4,-1.7 3,-0.8 1,-0.2 4,-0.3 0.907 107.0 47.0 -56.5 -40.9 -29.3 -8.6 20.7 66 67 A K H 3< S+ 0 0 146 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.733 111.1 51.5 -72.7 -24.5 -31.6 -11.6 20.6 67 68 A K H >X S+ 0 0 120 -4,-1.0 3,-1.3 -3,-0.3 4,-1.3 0.413 77.9 105.8 -91.8 0.3 -32.5 -11.0 17.0 68 69 A T H XX S+ 0 0 0 -3,-0.8 4,-3.0 -4,-0.6 3,-0.8 0.893 78.8 49.1 -48.1 -48.1 -28.8 -10.9 15.9 69 70 A A H 34 S+ 0 0 29 -3,-0.3 -1,-0.3 -4,-0.3 6,-0.1 0.743 107.8 55.9 -66.5 -22.3 -28.8 -14.3 14.3 70 71 A D H <4 S+ 0 0 118 -3,-1.3 -1,-0.2 -4,-0.1 -2,-0.2 0.749 118.1 34.1 -77.9 -25.3 -32.0 -13.4 12.4 71 72 A L H << S+ 0 0 105 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.1 0.794 107.9 63.7 -99.2 -38.1 -30.3 -10.3 10.9 72 73 A I S >< S- 0 0 54 -4,-3.0 3,-1.9 -5,-0.2 -1,-0.2 -0.844 77.9-143.4 -96.5 106.7 -26.6 -11.3 10.4 73 74 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -59,-0.0 0.781 91.7 32.0 -33.7 -57.8 -26.6 -14.1 7.8 74 75 A M T 3 S+ 0 0 47 -61,-0.1 -59,-0.2 2,-0.0 2,-0.2 0.369 87.6 119.9 -94.1 7.6 -23.8 -16.3 9.2 75 76 A C < - 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