==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS,BIOSYNTHETIC PROTEIN30-NOV-04 1WU2 . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,N.KUNISHIMA,RIKEN STRUCTURAL . 762 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 495 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 18.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 58 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 4 1 0 1 1 4 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 1 4 2 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 . 10 9 7 6 6 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 . 6 4 0 0 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 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 6 A K 0 0 219 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.0 43.7 9.3 52.5 2 7 A L - 0 0 49 265,-0.1 265,-0.3 266,-0.1 264,-0.1 -0.551 360.0-131.2 -68.3 127.8 43.9 12.7 54.0 3 8 A V B -a 267 0A 20 263,-1.8 265,-1.6 -2,-0.3 5,-0.1 -0.677 28.5-104.1 -84.3 133.7 42.9 12.6 57.6 4 9 A P > - 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.138 27.6-115.7 -53.8 152.9 40.4 15.2 58.7 5 10 A Y H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 112.4 50.9 -58.9 -45.5 41.7 18.2 60.7 6 11 A R H > S+ 0 0 147 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.838 112.5 46.5 -67.8 -33.8 39.8 17.5 63.9 7 12 A E H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 114.1 49.0 -69.8 -39.2 41.0 13.8 64.0 8 13 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.844 110.0 50.7 -68.8 -36.0 44.6 14.9 63.3 9 14 A L H X S+ 0 0 18 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.848 111.9 47.8 -72.3 -34.9 44.5 17.6 66.0 10 15 A K H X S+ 0 0 124 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.893 111.3 49.4 -71.3 -42.3 43.2 15.0 68.5 11 16 A L H X S+ 0 0 61 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.922 116.2 44.5 -62.1 -43.8 45.8 12.4 67.6 12 17 A L H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 3,-0.4 0.923 115.8 44.1 -64.6 -50.2 48.5 15.0 67.9 13 18 A L H < S+ 0 0 35 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.798 106.9 58.8 -74.0 -30.8 47.4 16.6 71.2 14 19 A D H < S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.791 105.2 53.2 -63.5 -29.6 46.7 13.3 72.9 15 20 A D H < S+ 0 0 51 -4,-0.8 2,-0.5 -3,-0.4 -1,-0.2 0.690 98.3 79.7 -75.1 -21.5 50.4 12.5 72.3 16 21 A I < - 0 0 0 -4,-0.6 2,-0.3 -3,-0.5 231,-0.0 -0.780 65.4-163.4 -96.5 128.6 51.4 15.8 74.0 17 22 A N - 0 0 112 -2,-0.5 2,-0.4 1,-0.0 -2,-0.0 -0.745 29.9 -97.8-107.4 155.7 51.5 16.1 77.8 18 23 A E - 0 0 77 -2,-0.3 288,-0.2 1,-0.1 289,-0.2 -0.593 45.4-115.3 -67.7 122.6 51.6 19.1 80.1 19 24 A I - 0 0 27 287,-1.8 -1,-0.1 -2,-0.4 157,-0.0 -0.389 21.5-155.1 -56.6 137.3 55.3 19.7 81.1 20 25 A E + 0 0 163 -2,-0.1 -1,-0.1 155,-0.1 -2,-0.0 0.842 58.9 101.3 -85.2 -38.3 55.7 19.2 84.9 21 26 A D + 0 0 106 154,-0.1 155,-1.8 1,-0.0 2,-0.3 -0.179 47.1 179.2 -60.9 137.2 58.7 21.4 85.5 22 27 A T E -B 175 0B 75 153,-0.2 2,-0.3 2,-0.0 153,-0.2 -0.840 8.6-166.3-127.5 169.1 58.3 24.8 87.1 23 28 A E E -B 174 0B 80 151,-2.3 151,-2.5 -2,-0.3 2,-0.6 -0.987 25.5-114.4-153.9 153.3 60.6 27.7 88.1 24 29 A K E -B 173 0B 143 -2,-0.3 148,-0.1 149,-0.2 147,-0.0 -0.804 34.5-176.1 -93.6 119.0 60.3 30.9 90.2 25 30 A V E -B 172 0B 8 147,-1.9 147,-1.7 -2,-0.6 5,-0.1 -0.893 28.6-105.5-114.0 146.8 60.8 34.1 88.1 26 31 A P E > -B 171 0B 39 0, 0.0 3,-1.5 0, 0.0 145,-0.2 -0.292 30.0-111.3 -69.1 155.1 60.9 37.7 89.5 27 32 A L G > S+ 0 0 19 143,-1.4 3,-1.5 1,-0.3 4,-0.4 0.824 115.5 62.3 -52.6 -38.3 57.9 40.0 89.0 28 33 A R G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.750 113.5 34.2 -62.3 -27.1 59.9 42.2 86.6 29 34 A E G < S+ 0 0 137 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.081 94.7 94.9-113.4 21.7 60.2 39.3 84.2 30 35 A A X + 0 0 0 -3,-1.5 3,-1.8 2,-0.1 126,-0.3 0.673 49.9 108.5 -91.5 -20.4 56.8 37.7 84.8 31 36 A V T 3 S+ 0 0 70 -4,-0.4 126,-0.2 1,-0.2 3,-0.1 -0.403 86.4 18.0 -66.0 130.4 54.7 39.2 82.1 32 37 A G T 3 S+ 0 0 41 124,-2.2 -1,-0.2 1,-0.4 187,-0.2 0.262 99.0 121.9 93.5 -9.5 53.7 36.7 79.3 33 38 A R < - 0 0 43 -3,-1.8 123,-2.2 123,-0.1 2,-0.5 -0.445 62.1-120.4 -86.1 160.9 54.5 33.7 81.5 34 39 A V B -D 155 0C 6 141,-0.3 141,-2.6 121,-0.2 121,-0.2 -0.896 24.5-119.7-109.7 121.3 52.1 31.0 82.5 35 40 A L B -C 174 0B 0 119,-2.1 118,-1.7 -2,-0.5 139,-0.3 -0.331 12.2-153.5 -59.8 130.4 51.3 30.3 86.1 36 41 A A S S+ 0 0 12 137,-1.6 2,-0.3 116,-0.2 138,-0.2 0.736 73.9 0.8 -74.6 -26.2 52.2 26.7 87.2 37 42 A E S S- 0 0 107 136,-0.5 116,-0.1 114,-0.1 117,-0.1 -0.937 90.3 -68.6-152.3 169.9 49.5 26.7 89.9 38 43 A D - 0 0 70 -2,-0.3 2,-0.6 114,-0.1 113,-0.2 -0.414 44.7-136.0 -59.6 141.8 46.7 28.6 91.7 39 44 A I E -E 150 0D 10 111,-2.5 110,-2.3 -2,-0.1 111,-1.1 -0.944 21.0-167.4-105.3 117.2 47.8 31.6 93.7 40 45 A V E -E 148 0D 66 -2,-0.6 108,-0.2 108,-0.2 2,-0.2 -0.928 16.7-130.0-108.8 127.5 46.1 31.8 97.1 41 46 A T - 0 0 0 106,-2.0 105,-2.5 -2,-0.5 106,-0.3 -0.496 12.7-165.5 -72.6 141.0 46.4 34.9 99.2 42 47 A E S S+ 0 0 116 125,-0.2 2,-0.4 103,-0.2 103,-0.1 0.290 73.3 67.1-103.3 4.5 47.4 34.7 102.8 43 48 A F S S- 0 0 55 101,-0.1 2,-0.4 2,-0.0 103,-0.1 -0.961 76.7-129.7-126.8 142.6 46.2 38.2 103.5 44 49 A D - 0 0 43 -2,-0.4 100,-0.2 100,-0.1 95,-0.0 -0.755 32.4-126.2 -79.2 134.6 42.9 40.0 103.5 45 50 A I B S+F 143 0E 30 98,-2.5 97,-1.8 -2,-0.4 98,-1.3 -0.979 105.4 24.2-126.6 115.9 42.9 43.2 101.4 46 51 A P S S- 0 0 17 0, 0.0 94,-1.8 0, 0.0 -1,-0.3 0.691 93.6-147.3 -71.2 161.5 41.9 45.4 103.0 47 52 A P S S+ 0 0 27 0, 0.0 2,-0.3 0, 0.0 92,-0.1 0.652 75.0 19.2 -72.8 -16.0 43.0 43.7 106.3 48 53 A F S S- 0 0 25 90,-0.1 2,-0.3 89,-0.1 92,-0.2 -0.933 94.8 -77.4-145.5 168.9 40.1 45.2 108.3 49 54 A D - 0 0 61 -2,-0.3 55,-1.7 55,-0.1 2,-0.3 -0.569 55.7-168.6 -67.9 125.4 36.7 46.9 108.0 50 55 A R E -GH 103 137F 41 87,-2.1 87,-2.0 -2,-0.3 2,-0.4 -0.861 28.0-111.8-120.0 150.9 37.3 50.5 107.0 51 56 A A E - H 0 136F 1 51,-1.9 50,-2.5 48,-0.3 85,-0.2 -0.700 21.7-160.1 -74.6 127.3 35.2 53.7 106.8 52 57 A A S S+ 0 0 41 83,-2.3 2,-0.3 -2,-0.4 48,-0.1 0.491 74.6 27.4 -85.5 -5.5 34.8 54.5 103.1 53 58 A V S S- 0 0 22 82,-0.5 2,-0.6 46,-0.2 45,-0.1 -0.976 91.8 -94.0-150.8 156.6 34.0 58.1 103.9 54 59 A D S S+ 0 0 61 -2,-0.3 60,-1.9 45,-0.1 45,-0.2 -0.705 81.0 98.9 -72.1 116.4 34.5 60.8 106.6 55 60 A G E S-IJ 98 113G 0 43,-1.3 43,-2.6 -2,-0.6 2,-0.4 -0.736 72.9 -56.1-165.3-148.2 31.5 60.3 108.8 56 61 A Y E -IJ 97 112G 4 56,-1.7 56,-1.8 41,-0.3 2,-0.7 -0.988 37.5-133.8-126.4 121.9 29.9 58.9 112.0 57 62 A A E +IJ 96 111G 0 39,-2.5 39,-1.2 -2,-0.4 54,-0.2 -0.649 45.5 156.8 -75.0 111.2 30.0 55.2 112.8 58 63 A I E - J 0 110G 1 52,-1.7 51,-1.6 -2,-0.7 52,-1.2 -0.551 48.9 -90.0-121.5-176.7 26.5 54.3 113.9 59 64 A R > - 0 0 70 35,-0.4 3,-0.7 49,-0.2 4,-0.2 -0.927 24.9-151.0 -96.3 125.3 24.1 51.4 114.2 60 65 A A G > S+ 0 0 0 -2,-0.5 3,-1.6 1,-0.2 70,-0.4 0.876 96.8 62.7 -58.2 -37.6 22.1 50.9 111.0 61 66 A E G > S+ 0 0 88 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.787 92.2 64.3 -59.2 -32.1 19.3 49.4 113.1 62 67 A D G < S+ 0 0 36 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.563 103.7 45.9 -70.6 -10.7 18.9 52.7 115.0 63 68 A T G X S+ 0 0 0 -3,-1.6 3,-1.3 67,-0.2 -1,-0.2 0.192 73.4 106.9-121.2 14.2 17.7 54.7 112.0 64 69 A F T < S+ 0 0 94 -3,-1.0 -1,-0.1 1,-0.3 -2,-0.1 0.792 85.7 47.2 -66.9 -27.7 15.2 52.3 110.4 65 70 A Q T 3 S+ 0 0 127 -4,-0.2 2,-0.5 -3,-0.1 -1,-0.3 -0.194 87.1 130.2-104.2 39.5 12.3 54.6 111.5 66 71 A A < + 0 0 4 -3,-1.3 2,-0.2 5,-0.1 61,-0.1 -0.819 24.2 153.8-101.0 130.2 14.0 57.7 110.3 67 72 A R B > -N 70 0H 137 3,-1.1 3,-1.0 -2,-0.5 5,-0.1 -0.784 58.7 -90.7-138.7-178.9 12.1 60.2 108.1 68 73 A E T 3 S+ 0 0 86 1,-0.2 60,-0.1 -2,-0.2 -1,-0.0 0.872 128.7 37.2 -65.1 -36.8 12.2 64.0 107.2 69 74 A Y T 3 S+ 0 0 215 1,-0.2 -1,-0.2 58,-0.1 58,-0.0 -0.053 115.4 56.0-109.2 29.7 9.7 64.7 110.1 70 75 A N B < S-N 67 0H 65 -3,-1.0 -3,-1.1 57,-0.1 2,-0.5 -0.424 71.6-171.9-151.6 72.7 11.1 62.1 112.5 71 76 A P - 0 0 63 0, 0.0 2,-0.4 0, 0.0 56,-0.2 -0.561 17.1-140.6 -72.6 118.0 14.8 62.8 113.1 72 77 A I E -K 126 0G 33 54,-1.4 54,-1.7 -2,-0.5 2,-0.4 -0.671 18.6-141.9 -75.9 128.0 16.6 60.1 115.1 73 78 A E E -K 125 0G 96 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.781 20.3-177.4 -94.8 133.9 19.0 61.7 117.5 74 79 A L E -K 124 0G 2 50,-1.8 50,-1.6 -2,-0.4 2,-0.5 -0.880 21.1-127.4-122.3 161.3 22.4 60.1 118.3 75 80 A T E -Kl 123 94G 41 18,-1.8 20,-1.6 -2,-0.3 2,-0.9 -0.936 12.5-136.4-115.1 129.4 25.2 61.2 120.7 76 81 A V E + l 0 95G 13 46,-2.4 20,-0.2 -2,-0.5 3,-0.1 -0.746 28.4 169.0 -86.8 104.5 28.8 61.7 119.6 77 82 A I E + 0 0 62 18,-1.5 2,-0.3 -2,-0.9 -1,-0.2 0.638 63.3 16.3 -88.3 -20.2 31.0 60.1 122.4 78 83 A E E - l 0 96G 32 17,-0.7 19,-1.7 10,-0.0 2,-0.4 -0.998 49.2-155.2-153.9 151.9 34.3 60.2 120.4 79 84 A E E - l 0 97G 104 -2,-0.3 19,-0.2 17,-0.2 -23,-0.0 -0.960 25.9-144.0-127.0 112.8 36.2 61.7 117.5 80 85 A V - 0 0 7 17,-2.3 3,-0.1 -2,-0.4 6,-0.1 -0.652 17.3-133.1 -80.2 119.4 39.0 59.4 116.3 81 86 A P > - 0 0 75 0, 0.0 3,-1.6 0, 0.0 18,-0.2 -0.106 45.0 -63.6 -62.9 170.9 42.1 61.4 115.1 82 87 A A T 3 S+ 0 0 79 1,-0.3 3,-0.1 16,-0.1 19,-0.1 -0.329 120.7 4.2 -63.3 131.9 43.8 60.6 111.9 83 88 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.628 107.7 115.3 70.4 16.1 45.4 57.1 111.8 84 89 A N < - 0 0 79 -3,-1.6 19,-0.4 -4,-0.0 2,-0.3 -0.492 61.2-122.7-106.8 176.4 44.1 56.2 115.2 85 90 A V - 0 0 62 -2,-0.2 2,-0.2 17,-0.1 19,-0.1 -0.926 34.9 -97.3-119.5 148.9 41.6 53.6 116.5 86 91 A A - 0 0 17 17,-0.4 20,-0.2 -2,-0.3 12,-0.0 -0.457 24.3-164.2 -67.7 128.4 38.4 54.3 118.5 87 92 A K S S+ 0 0 167 -2,-0.2 2,-0.2 18,-0.1 -1,-0.2 0.820 72.3 61.1 -77.4 -34.5 38.9 53.8 122.3 88 93 A E S S- 0 0 103 1,-0.1 18,-0.2 17,-0.0 2,-0.2 -0.555 78.5-127.1 -97.9 157.7 35.1 53.7 122.9 89 94 A E - 0 0 114 -2,-0.2 2,-0.6 16,-0.1 18,-0.2 -0.530 22.1-115.7 -95.2 168.0 32.4 51.2 121.7 90 95 A V + 0 0 2 16,-1.9 2,-0.2 -2,-0.2 3,-0.1 -0.934 38.2 168.7-110.5 119.2 29.2 52.1 119.9 91 96 A T > - 0 0 76 -2,-0.6 3,-1.5 1,-0.2 -32,-0.1 -0.492 49.7 -47.9-113.6-173.8 25.9 51.2 121.7 92 97 A T T 3 S+ 0 0 100 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.361 126.8 13.2 -62.3 132.6 22.3 52.1 121.0 93 98 A G T 3 S+ 0 0 23 1,-0.3 -18,-1.8 -34,-0.1 -1,-0.3 0.638 107.6 113.9 78.3 18.1 21.7 55.9 120.3 94 99 A K E < - l 0 75G 68 -3,-1.5 -35,-0.4 -20,-0.3 2,-0.3 -0.676 40.9-174.8-121.1 170.2 25.5 56.5 119.9 95 100 A A E - l 0 76G 0 -20,-1.6 -18,-1.5 -2,-0.2 -17,-0.7 -0.972 12.8-151.2-163.6 147.4 28.0 57.5 117.2 96 101 A I E -Il 57 78G 0 -39,-1.2 -39,-2.5 -2,-0.3 -17,-0.2 -0.943 23.0-128.6-131.6 110.8 31.7 57.9 116.7 97 102 A K E +Il 56 79G 46 -19,-1.7 -17,-2.3 -2,-0.4 2,-0.3 -0.354 38.5 172.5 -55.1 124.8 33.2 60.4 114.2 98 103 A V E -I 55 0G 1 -43,-2.6 -43,-1.3 -19,-0.2 2,-0.2 -0.846 25.5-132.0-127.9 167.5 35.7 58.7 112.0 99 104 A L > - 0 0 55 -2,-0.3 3,-1.6 -45,-0.2 -48,-0.3 -0.710 46.6 -74.7-108.9 169.1 37.8 59.6 108.9 100 105 A T T 3 S+ 0 0 77 -2,-0.2 -48,-0.2 1,-0.2 3,-0.1 -0.450 121.7 26.1 -63.5 133.6 38.2 57.5 105.7 101 106 A G T 3 S+ 0 0 25 -50,-2.5 -1,-0.2 1,-0.3 -49,-0.1 0.045 89.6 131.5 98.7 -23.8 40.5 54.6 106.3 102 107 A T < - 0 0 9 -3,-1.6 -51,-1.9 -51,-0.1 -1,-0.3 -0.375 66.3-106.5 -67.6 138.4 39.7 54.4 110.1 103 108 A R B -G 50 0F 118 -19,-0.4 -17,-0.4 -53,-0.2 -53,-0.2 -0.423 39.2-105.8 -64.5 133.4 38.8 51.0 111.4 104 109 A I - 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