==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 17-JUL-00 1FC5 . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.HUANG,M.CYGLER,MONTREAL-KINGSTON BACTERIAL STRUCTURAL . 807 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 18.1 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0.2 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 3 2 1 0 1 3 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 0 5 1 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 . 13 4 4 8 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 6 2 0 2 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 5 A T 0 0 186 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-142.9 -5.0 19.5 17.1 2 6 A G - 0 0 49 269,-0.0 2,-0.4 0, 0.0 269,-0.1 -0.922 360.0-112.3-139.3 164.5 -4.8 23.3 16.9 3 7 A L - 0 0 60 -2,-0.3 2,-0.2 337,-0.1 269,-0.2 -0.813 26.8-126.5-103.4 133.5 -2.4 26.3 16.8 4 8 A X B -a 272 0A 60 267,-2.6 269,-2.8 -2,-0.4 2,-0.0 -0.502 27.5-118.1 -76.4 134.0 -1.9 28.9 19.5 5 9 A S > - 0 0 36 -2,-0.2 4,-2.3 267,-0.2 5,-0.2 -0.320 17.4-123.9 -69.0 153.4 -2.3 32.5 18.6 6 10 A L H > S+ 0 0 19 267,-0.3 4,-2.5 2,-0.2 5,-0.2 0.919 109.8 46.5 -66.4 -46.1 0.7 34.9 19.0 7 11 A D H > S+ 0 0 99 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.829 112.0 54.2 -67.7 -27.1 -0.9 37.5 21.3 8 12 A T H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.964 110.0 45.0 -66.9 -52.4 -2.2 34.6 23.4 9 13 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.905 116.8 47.7 -56.0 -43.4 1.3 33.1 23.8 10 14 A L H X S+ 0 0 34 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.965 111.4 46.5 -64.1 -56.6 2.7 36.6 24.5 11 15 A N H X S+ 0 0 105 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.889 111.9 54.3 -54.7 -39.7 0.1 37.7 27.1 12 16 A E H X S+ 0 0 95 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.918 109.4 46.7 -60.1 -46.8 0.5 34.3 28.8 13 17 A X H >X S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.2 4,-0.5 0.938 112.0 49.8 -61.8 -50.1 4.2 34.7 29.1 14 18 A L H >< S+ 0 0 40 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.786 100.6 62.3 -62.5 -32.6 4.0 38.3 30.5 15 19 A S H 3< S+ 0 0 84 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.709 100.7 57.1 -68.1 -18.0 1.5 37.6 33.2 16 20 A R H << S+ 0 0 114 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.700 94.8 76.7 -87.5 -20.8 3.9 35.2 34.8 17 21 A V << - 0 0 9 -3,-0.7 -3,-0.0 -4,-0.5 294,-0.0 -0.505 60.3-147.3 -98.1 161.7 6.8 37.5 35.4 18 22 A T - 0 0 114 -2,-0.2 2,-0.2 297,-0.0 -3,-0.0 -0.970 27.6-115.3-122.0 135.5 7.7 40.3 37.8 19 23 A P - 0 0 51 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.531 38.2-104.2 -74.7 138.4 9.9 43.3 36.9 20 24 A L - 0 0 37 295,-2.0 151,-0.1 -2,-0.2 154,-0.0 -0.089 28.5-170.8 -54.2 155.3 13.2 43.6 38.7 21 25 A T + 0 0 120 2,-0.1 2,-0.2 150,-0.0 -1,-0.1 0.501 46.7 113.8-125.5 -14.4 13.7 46.1 41.5 22 26 A A - 0 0 46 149,-0.1 150,-2.7 150,-0.1 2,-0.2 -0.432 48.7-173.0 -64.5 130.7 17.4 46.0 42.2 23 27 A Q E -B 171 0B 103 148,-0.3 2,-0.3 -2,-0.2 148,-0.2 -0.618 21.4-164.1-120.8 177.8 19.0 49.4 41.2 24 28 A E E -B 170 0B 79 146,-2.0 146,-2.6 -2,-0.2 2,-0.5 -0.938 24.1-121.9-160.5 142.8 22.3 51.2 40.9 25 29 A T E +B 169 0B 74 -2,-0.3 -2,-0.0 144,-0.2 142,-0.0 -0.813 34.2 173.2 -98.8 128.3 23.1 54.9 40.6 26 30 A L E -B 168 0B 28 142,-2.2 142,-2.2 -2,-0.5 5,-0.1 -0.973 35.7-101.1-136.3 147.3 25.0 56.2 37.6 27 31 A P E > -B 167 0B 35 0, 0.0 3,-1.5 0, 0.0 140,-0.3 -0.228 43.4-108.5 -60.0 152.3 26.1 59.6 36.1 28 32 A L G > S+ 0 0 10 138,-1.7 3,-2.4 1,-0.3 4,-0.2 0.846 113.4 62.1 -52.9 -45.0 23.9 60.8 33.2 29 33 A V G 3 S+ 0 0 50 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.711 104.7 51.6 -58.3 -19.2 26.4 60.3 30.4 30 34 A Q G < S+ 0 0 124 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.407 92.4 81.0 -97.3 2.4 26.3 56.5 31.2 31 35 A C X + 0 0 0 -3,-2.4 3,-2.4 -4,-0.2 121,-0.3 0.401 46.7 137.9 -94.1 4.8 22.5 56.2 31.1 32 36 A F T 3 S+ 0 0 40 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.278 86.6 1.2 -55.1 122.4 21.4 55.9 27.4 33 37 A G T 3 S+ 0 0 21 119,-3.3 -1,-0.3 1,-0.3 2,-0.1 0.380 99.7 130.6 83.7 -5.1 18.8 53.2 27.3 34 38 A R < - 0 0 25 -3,-2.4 118,-2.2 118,-0.3 2,-0.5 -0.471 57.7-116.3 -81.4 155.6 18.7 52.5 31.0 35 39 A I B -D 151 0C 11 136,-0.4 136,-2.3 116,-0.2 116,-0.2 -0.817 23.1-118.4 -99.5 124.9 15.4 52.4 33.0 36 40 A L B -C 170 0B 2 114,-2.1 113,-2.6 -2,-0.5 134,-0.3 -0.358 17.9-161.1 -59.3 126.0 14.6 54.9 35.8 37 41 A A S S+ 0 0 21 132,-2.5 2,-0.3 111,-0.2 133,-0.2 0.704 72.6 14.3 -82.4 -21.4 14.1 53.1 39.2 38 42 A S S S- 0 0 51 131,-0.6 111,-0.1 109,-0.1 -1,-0.1 -0.957 94.2 -78.4-147.6 163.6 12.3 56.0 40.8 39 43 A D - 0 0 89 -2,-0.3 2,-0.7 109,-0.1 -2,-0.1 -0.322 38.3-132.1 -64.7 145.4 10.5 59.3 39.9 40 44 A V E -E 146 0D 10 106,-2.5 105,-2.8 128,-0.0 106,-0.9 -0.904 26.9-172.1-100.4 112.0 12.7 62.3 39.2 41 45 A V E -E 144 0D 68 -2,-0.7 103,-0.2 103,-0.2 100,-0.1 -0.932 24.9-116.6-109.1 127.4 11.3 65.2 41.1 42 46 A S - 0 0 2 101,-1.9 100,-2.9 -2,-0.5 101,-0.2 -0.374 17.5-165.7 -67.6 129.8 12.8 68.7 40.5 43 47 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.588 74.6 44.8 -87.6 -9.7 14.6 70.4 43.4 44 48 A L S S- 0 0 75 96,-0.1 2,-0.3 119,-0.0 98,-0.1 -0.868 83.1-107.3-133.1 164.3 14.5 73.8 41.5 45 49 A D - 0 0 40 -2,-0.3 95,-0.2 95,-0.1 92,-0.1 -0.684 43.4-112.8 -87.7 143.4 12.2 76.0 39.4 46 50 A V B S+F 139 0E 28 93,-2.4 93,-2.1 -2,-0.3 92,-1.6 -0.970 105.8 26.2-129.3 118.9 13.0 76.2 35.7 47 51 A P S S- 0 0 26 0, 0.0 89,-1.4 0, 0.0 90,-0.1 0.591 88.0-147.5 -71.5 166.1 13.9 78.7 34.7 48 52 A G S S+ 0 0 42 87,-0.2 2,-0.3 -2,-0.2 87,-0.1 0.523 73.7 8.8 -78.3 -7.5 15.4 79.8 38.0 49 53 A F S S- 0 0 52 85,-0.1 2,-0.3 84,-0.1 -1,-0.1 -0.970 90.6 -78.4-168.3 154.8 14.8 83.5 37.5 50 54 A D + 0 0 54 -2,-0.3 50,-2.4 85,-0.1 2,-0.3 -0.427 61.7 171.8 -59.5 117.5 13.1 86.1 35.3 51 55 A N E -GH 99 133F 9 82,-2.2 82,-1.8 -2,-0.3 2,-0.3 -0.831 35.0 -93.3-130.9 168.4 15.3 86.5 32.2 52 56 A S E - H 0 132F 0 46,-2.9 45,-2.9 43,-0.3 80,-0.2 -0.586 19.1-167.2 -82.3 139.5 15.4 88.1 28.7 53 57 A A S S+ 0 0 25 78,-2.4 2,-0.3 -2,-0.3 43,-0.1 0.561 73.0 36.7 -98.1 -11.8 14.2 86.1 25.7 54 58 A X S S- 0 0 68 77,-0.6 2,-0.4 41,-0.2 43,-0.1 -0.876 84.1-103.6-136.4 168.0 15.7 88.6 23.2 55 59 A D S S+ 0 0 24 -2,-0.3 55,-1.2 40,-0.1 2,-0.3 -0.779 78.2 79.7 -89.2 133.3 18.6 90.9 22.6 56 60 A G E S-IJ 94 109G 0 38,-2.8 38,-2.5 -2,-0.4 2,-0.4 -0.908 79.1 -43.5 171.0-140.1 17.4 94.5 23.2 57 61 A Y E -IJ 93 108G 29 51,-1.7 51,-2.7 -2,-0.3 2,-0.4 -0.988 37.4-139.8-131.7 140.1 16.7 97.0 26.0 58 62 A A E +IJ 92 107G 0 34,-3.0 34,-1.9 -2,-0.4 2,-0.3 -0.811 33.6 168.3 -97.8 137.5 14.9 96.5 29.3 59 63 A V E - J 0 106G 0 47,-2.0 46,-2.4 -2,-0.4 47,-0.9 -0.896 37.5-113.8-145.1 172.6 12.6 99.3 30.4 60 64 A R >> - 0 0 60 -2,-0.3 3,-1.9 30,-0.3 4,-1.1 -0.919 29.5-130.1-108.3 134.1 9.9 100.5 32.8 61 65 A L H 3> S+ 0 0 54 -2,-0.4 4,-1.8 1,-0.3 3,-0.4 0.853 106.9 59.3 -52.7 -40.5 6.5 101.2 31.2 62 66 A A H 34 S+ 0 0 81 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.736 103.5 54.3 -62.0 -21.8 6.2 104.7 32.8 63 67 A D H X4 S+ 0 0 21 -3,-1.9 3,-0.7 2,-0.2 4,-0.3 0.818 103.8 52.6 -82.5 -31.9 9.5 105.6 31.0 64 68 A I H >< S+ 0 0 27 -4,-1.1 3,-2.4 -3,-0.4 -2,-0.2 0.944 97.6 67.9 -66.1 -47.1 8.2 104.7 27.5 65 69 A A T 3< S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.667 85.3 71.3 -46.0 -25.6 5.1 106.9 28.0 66 70 A S T < S- 0 0 61 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.795 90.0-142.6 -66.8 -28.0 7.2 110.1 28.0 67 71 A G < + 0 0 54 -3,-2.4 -2,-0.1 -4,-0.3 -1,-0.1 0.367 63.1 120.7 80.4 -8.2 7.9 109.8 24.2 68 72 A Q S S- 0 0 141 -5,-0.3 -1,-0.3 1,-0.1 -2,-0.2 -0.708 73.6 -92.4 -95.7 145.1 11.4 111.1 25.1 69 73 A P - 0 0 48 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.199 34.9-145.6 -55.7 128.3 14.8 109.2 24.4 70 74 A L B -L 120 0H 7 50,-2.6 50,-1.5 20,-0.1 20,-0.2 -0.863 11.2-136.5-104.4 115.7 16.1 107.1 27.2 71 75 A P - 0 0 56 0, 0.0 20,-2.0 0, 0.0 2,-0.8 -0.363 26.9-104.9 -70.2 149.7 19.9 106.9 27.7 72 76 A V E -k 91 0G 68 18,-0.2 20,-0.2 1,-0.2 3,-0.1 -0.627 30.2-173.7 -76.6 105.4 21.6 103.5 28.4 73 77 A A E - 0 0 35 18,-2.4 2,-0.3 -2,-0.8 19,-0.2 0.751 66.1 -39.9 -70.0 -24.4 22.5 103.4 32.1 74 78 A G E -k 92 0G 15 17,-0.7 19,-2.4 10,-0.1 2,-0.4 -0.979 57.5-100.8 179.2-178.5 24.3 100.1 31.5 75 79 A K E -k 93 0G 88 -2,-0.3 2,-0.5 17,-0.2 19,-0.2 -0.988 21.7-150.7-131.5 139.9 24.3 96.7 29.8 76 80 A S E -k 94 0G 3 17,-3.4 19,-1.9 -2,-0.4 2,-0.3 -0.924 13.2-176.7-115.5 124.2 23.4 93.2 31.2 77 81 A F - 0 0 91 3,-1.9 3,-0.2 -2,-0.5 20,-0.1 -0.830 36.2-120.7-115.7 156.4 24.9 89.8 30.0 78 82 A A S S+ 0 0 21 -2,-0.3 -1,-0.1 18,-0.3 19,-0.1 0.856 117.9 45.9 -60.7 -35.8 24.1 86.2 31.0 79 83 A G S S+ 0 0 23 1,-0.3 -1,-0.2 508,-0.0 521,-0.1 0.743 130.8 20.2 -79.3 -23.9 27.7 85.8 32.1 80 84 A Q S S- 0 0 144 -3,-0.2 -3,-1.9 519,-0.1 -1,-0.3 -0.697 77.9-156.6-148.8 91.9 27.7 89.1 34.0 81 85 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.244 28.5-103.5 -66.4 156.3 24.4 90.7 35.0 82 86 A Y + 0 0 59 17,-0.2 -6,-0.1 1,-0.1 -8,-0.0 -0.616 41.2 165.2 -81.8 137.7 24.2 94.5 35.6 83 87 A H + 0 0 135 -2,-0.3 -1,-0.1 18,-0.1 3,-0.1 0.166 41.8 109.3-135.0 14.4 24.1 95.6 39.3 84 88 A G S S- 0 0 33 1,-0.2 2,-0.2 -11,-0.0 -10,-0.1 0.063 80.9 -58.4 -78.8-166.8 24.8 99.3 38.8 85 89 A E - 0 0 165 -12,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.526 40.3-167.1 -77.6 142.8 22.5 102.3 39.3 86 90 A W - 0 0 20 -2,-0.2 4,-0.1 -3,-0.1 3,-0.1 -0.662 17.4-168.5-129.4 74.5 19.3 102.4 37.1 87 91 A P > - 0 0 67 0, 0.0 3,-0.9 0, 0.0 -14,-0.1 -0.121 33.5 -80.6 -62.0 160.5 18.0 106.0 37.6 88 92 A A T 3 S+ 0 0 89 1,-0.2 3,-0.1 -25,-0.0 -25,-0.0 -0.211 113.3 30.2 -59.7 151.3 14.6 107.0 36.4 89 93 A G T 3 S+ 0 0 30 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.663 101.6 103.3 72.4 18.1 14.2 107.9 32.7 90 94 A T < - 0 0 15 -3,-0.9 -30,-0.3 -20,-0.2 2,-0.2 -0.871 53.0-148.8-130.7 163.4 16.8 105.4 31.6 91 95 A C E - k 0 72G 0 -20,-2.0 -18,-2.4 -2,-0.3 -17,-0.7 -0.749 11.7-128.7-125.1 173.4 17.1 102.0 30.0 92 96 A I E -Ik 58 74G 0 -34,-1.9 -34,-3.0 -2,-0.2 2,-0.5 -0.987 16.5-128.5-131.1 128.8 19.4 99.0 30.0 93 97 A R E -Ik 57 75G 31 -19,-2.4 -17,-3.4 -2,-0.4 2,-0.4 -0.637 39.1-175.4 -74.5 120.6 21.0 97.1 27.1 94 98 A I E -Ik 56 76G 0 -38,-2.5 -38,-2.8 -2,-0.5 2,-0.2 -0.942 14.7-148.9-126.8 144.1 20.2 93.4 27.7 95 99 A X > - 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