==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLYBDOPTERIN BIOSYNTHESIS 05-MAR-04 1UZ5 . COMPND 2 MOLECULE: 402AA LONG HYPOTHETICAL MOLYBDOPTERIN . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.TAKAHASHI,T.H.TAHIROV . 391 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 18.9 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 . 4 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 2 1 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 0 1 2 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 PARALLEL BRIDGES PER LADDER . 5 3 2 4 4 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 . 2 2 0 0 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 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 K 0 0 190 0, 0.0 268,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 82.5 20.8 63.6 51.6 2 6 A V - 0 0 58 269,-0.1 269,-0.2 266,-0.1 268,-0.1 -0.469 360.0-167.8 -73.8 139.8 19.4 61.3 48.9 3 7 A V B -a 271 0A 25 267,-1.4 269,-2.6 -2,-0.2 5,-0.1 -0.909 28.7 -92.2-127.0 152.5 15.7 60.3 49.2 4 8 A P > - 0 0 78 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.185 34.9-115.0 -60.6 156.9 13.6 57.6 47.3 5 9 A L H > S+ 0 0 14 267,-0.3 4,-3.0 1,-0.2 5,-0.2 0.932 114.9 61.1 -57.6 -47.2 11.8 58.6 44.1 6 10 A E H > S+ 0 0 106 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.855 104.9 48.6 -49.3 -39.9 8.4 58.0 45.8 7 11 A K H > S+ 0 0 101 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.940 110.7 49.2 -67.4 -46.4 9.2 60.7 48.3 8 12 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.867 112.2 50.4 -59.6 -36.0 10.3 63.1 45.6 9 13 A L H X S+ 0 0 43 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.908 108.2 51.1 -68.6 -42.2 7.0 62.3 43.8 10 14 A E H X S+ 0 0 99 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.881 108.3 54.1 -62.0 -37.6 5.0 62.9 46.9 11 15 A V H X S+ 0 0 14 -4,-2.4 4,-0.5 2,-0.2 3,-0.3 0.924 109.0 46.0 -63.0 -46.6 6.7 66.2 47.3 12 16 A V H >< S+ 0 0 2 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.912 108.5 57.0 -63.5 -40.6 5.8 67.4 43.8 13 17 A Q H 3< S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.834 99.3 60.9 -58.4 -31.3 2.2 66.1 44.4 14 18 A S H 3< S+ 0 0 83 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.711 92.0 85.3 -69.3 -19.8 2.2 68.5 47.4 15 19 A F << - 0 0 24 -3,-1.8 2,-0.4 -4,-0.5 272,-0.1 -0.493 63.5-165.3 -79.9 154.3 2.7 71.3 45.0 16 20 A K - 0 0 183 -2,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.935 6.9-166.0-146.9 119.0 -0.2 72.9 43.3 17 21 A I - 0 0 19 -2,-0.4 3,-0.1 293,-0.3 270,-0.0 -0.888 2.1-173.0-104.5 133.3 -0.2 75.2 40.3 18 22 A S + 0 0 100 -2,-0.5 3,-0.1 1,-0.1 297,-0.1 -0.829 6.6 176.6-127.4 90.6 -3.4 77.1 39.4 19 23 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 157,-0.1 0.691 42.8-128.4 -66.9 -19.4 -2.8 78.9 36.1 20 24 A G - 0 0 33 155,-0.1 155,-2.9 -3,-0.1 2,-0.3 -0.193 19.8 -83.1 92.8 170.8 -6.4 80.2 36.2 21 25 A I E +B 174 0B 84 153,-0.2 2,-0.3 -3,-0.1 153,-0.2 -0.874 37.8 179.0-118.7 148.4 -9.2 80.0 33.6 22 26 A E E -B 173 0B 55 151,-2.6 151,-3.0 -2,-0.3 2,-0.5 -0.976 24.8-124.1-143.7 156.8 -9.9 82.2 30.6 23 27 A E E -B 172 0B 98 -2,-0.3 149,-0.2 149,-0.2 147,-0.0 -0.887 27.4-178.1-106.5 132.5 -12.5 82.3 27.8 24 28 A V E -B 171 0B 11 147,-2.2 147,-2.5 -2,-0.5 5,-0.1 -0.930 35.5 -97.1-126.0 151.2 -11.5 82.2 24.2 25 29 A P E > -B 170 0B 55 0, 0.0 3,-1.9 0, 0.0 145,-0.3 -0.245 40.6-110.2 -60.3 157.2 -13.6 82.4 21.0 26 30 A I G > S+ 0 0 24 143,-2.0 3,-1.4 1,-0.3 4,-0.4 0.825 118.5 61.2 -61.4 -31.2 -14.3 78.9 19.6 27 31 A E G 3 S+ 0 0 136 142,-0.3 -1,-0.3 1,-0.3 143,-0.1 0.492 107.0 46.5 -74.2 -1.6 -12.1 79.7 16.6 28 32 A K G < S+ 0 0 141 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.172 89.1 87.7-120.4 11.5 -9.2 80.1 19.0 29 33 A G X + 0 0 0 -3,-1.4 3,-2.4 2,-0.1 126,-0.3 0.729 53.9 116.5 -84.1 -21.3 -9.9 76.9 21.0 30 34 A L T 3 S+ 0 0 117 -4,-0.4 126,-0.2 1,-0.3 3,-0.1 -0.225 87.8 9.3 -51.9 125.2 -7.8 74.6 18.8 31 35 A G T 3 S+ 0 0 35 124,-2.6 -1,-0.3 1,-0.3 125,-0.1 0.148 102.8 118.0 91.1 -20.9 -5.0 73.2 20.9 32 36 A R < - 0 0 40 -3,-2.4 123,-2.7 123,-0.2 2,-0.5 -0.270 65.0-116.4 -77.9 166.5 -6.3 74.5 24.2 33 37 A I B -D 154 0C 6 141,-0.4 141,-2.2 121,-0.2 121,-0.2 -0.919 27.0-116.9-109.1 124.6 -7.3 72.4 27.2 34 38 A A B -C 173 0B 0 119,-2.7 118,-3.2 -2,-0.5 139,-0.3 -0.361 16.4-154.8 -59.7 126.2 -10.9 72.5 28.4 35 39 A A S S+ 0 0 4 137,-2.7 2,-0.3 116,-0.2 138,-0.2 0.607 74.0 6.0 -79.5 -12.2 -11.0 74.0 32.0 36 40 A E S S- 0 0 91 136,-0.5 -1,-0.1 114,-0.2 136,-0.1 -0.987 91.4 -74.5-163.3 162.3 -14.3 72.1 32.8 37 41 A D - 0 0 65 -2,-0.3 2,-0.4 114,-0.1 113,-0.2 -0.235 42.5-151.1 -58.4 150.3 -16.8 69.6 31.4 38 42 A I E -E 149 0D 26 111,-2.5 110,-3.2 -4,-0.0 111,-1.6 -0.996 8.5-164.3-129.7 125.6 -19.1 71.0 28.7 39 43 A Y E -E 147 0D 124 -2,-0.4 108,-0.2 108,-0.2 107,-0.1 -0.838 36.1 -91.2-110.2 146.0 -22.6 69.6 28.2 40 44 A S - 0 0 3 106,-2.9 105,-2.9 -2,-0.3 106,-0.1 -0.337 28.7-159.5 -58.6 127.0 -24.7 70.1 25.1 41 45 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.511 73.4 34.8 -83.7 -7.1 -26.9 73.2 25.6 42 46 A I S S- 0 0 62 101,-0.1 2,-0.3 97,-0.0 103,-0.2 -0.944 84.9-102.4-143.7 164.8 -29.3 72.0 22.9 43 47 A D - 0 0 39 -2,-0.3 100,-0.2 101,-0.1 97,-0.1 -0.648 45.3-113.7 -84.1 145.8 -31.0 68.9 21.4 44 48 A V B S+F 142 0E 28 98,-2.9 98,-2.6 -2,-0.3 97,-2.1 -0.987 108.9 28.3-130.0 118.9 -29.5 67.7 18.1 45 49 A P S S- 0 0 5 0, 0.0 94,-2.0 0, 0.0 95,-0.1 0.636 90.8-148.5 -68.1 159.1 -31.3 67.9 15.8 46 50 A P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.424 78.7 18.7 -79.1 4.2 -33.0 70.9 17.5 47 51 A F S S- 0 0 58 89,-0.1 2,-0.4 90,-0.1 92,-0.2 -0.963 100.1 -78.5-161.7 162.5 -36.3 69.9 15.8 48 52 A D - 0 0 58 -2,-0.3 55,-1.7 55,-0.1 2,-0.4 -0.568 56.5-167.6 -69.6 125.0 -37.9 66.8 14.2 49 53 A R E -GH 102 136F 98 87,-2.4 87,-2.9 -2,-0.4 53,-0.2 -0.922 23.2-112.3-123.3 146.5 -36.5 66.7 10.7 50 54 A A E - H 0 135F 1 51,-2.5 50,-3.2 -2,-0.4 85,-0.2 -0.436 17.0-161.3 -67.9 144.3 -37.3 64.7 7.6 51 55 A T S S+ 0 0 62 83,-2.1 2,-0.3 48,-0.2 84,-0.2 0.406 74.9 28.2-106.0 -2.2 -34.8 62.1 6.6 52 56 A V S S- 0 0 35 82,-0.5 2,-0.4 46,-0.1 48,-0.1 -0.960 89.9 -96.1-150.2 162.5 -36.0 61.8 3.0 53 57 A D S S+ 0 0 71 -2,-0.3 60,-2.4 45,-0.2 2,-0.3 -0.691 79.6 82.2 -80.6 135.3 -37.8 63.9 0.4 54 58 A G E S-IJ 97 112G 0 43,-2.8 43,-2.7 -2,-0.4 2,-0.5 -0.921 78.1 -32.6 170.9-142.1 -41.5 63.1 0.5 55 59 A Y E -IJ 96 111G 9 56,-2.4 56,-2.8 -2,-0.3 2,-0.3 -0.956 39.0-141.8-124.4 124.8 -44.7 64.0 2.3 56 60 A A E +IJ 95 110G 0 39,-2.9 39,-1.7 -2,-0.5 2,-0.3 -0.629 36.3 166.6 -77.4 132.4 -45.1 64.8 6.0 57 61 A V E - J 0 109G 0 52,-2.8 51,-2.4 -2,-0.3 52,-1.3 -0.890 48.1-104.0-142.2 169.5 -48.3 63.3 7.3 58 62 A R > - 0 0 46 35,-0.4 3,-1.9 -2,-0.3 4,-0.3 -0.907 37.4-143.1 -94.2 111.5 -50.2 62.5 10.5 59 63 A A G > S+ 0 0 0 -2,-0.8 3,-2.3 1,-0.3 70,-0.5 0.847 95.0 63.6 -45.9 -42.7 -49.5 58.7 10.7 60 64 A E G > S+ 0 0 107 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.781 91.3 65.0 -54.6 -31.9 -52.9 58.0 12.0 61 65 A D G < S+ 0 0 31 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.580 103.3 49.1 -70.0 -8.2 -54.6 59.3 8.8 62 66 A T G X S+ 0 0 0 -3,-2.3 3,-1.8 -4,-0.3 -1,-0.2 0.361 76.3 104.8-111.6 4.2 -52.9 56.4 7.0 63 67 A F T < S+ 0 0 117 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.789 82.2 47.5 -58.0 -32.4 -53.9 53.4 9.2 64 68 A M T 3 S+ 0 0 162 -4,-0.2 -1,-0.3 -3,-0.1 5,-0.1 0.349 84.3 129.5 -91.4 6.7 -56.6 52.1 6.9 65 69 A A < + 0 0 7 -3,-1.8 2,-0.3 64,-0.1 61,-0.2 -0.392 26.9 159.6 -66.7 134.8 -54.3 52.3 3.8 66 70 A S - 0 0 42 3,-1.2 61,-0.2 59,-0.4 -2,-0.0 -0.965 54.1-108.3-149.5 158.9 -54.1 49.2 1.7 67 71 A E S S+ 0 0 179 -2,-0.3 60,-0.1 1,-0.2 -2,-0.0 0.789 122.9 47.1 -61.0 -26.3 -53.0 48.5 -1.9 68 72 A A S S+ 0 0 98 1,-0.3 -1,-0.2 58,-0.1 -3,-0.1 0.869 127.2 23.8 -82.0 -40.7 -56.7 47.8 -2.6 69 73 A S S S- 0 0 69 57,-0.1 -3,-1.2 -5,-0.1 -1,-0.3 -0.785 81.5-166.4-129.3 87.4 -58.0 50.9 -0.9 70 74 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 56,-0.2 -0.374 22.6-116.3 -72.3 152.6 -55.4 53.6 -0.8 71 75 A V E -K 125 0G 27 54,-2.8 54,-2.8 -9,-0.1 2,-0.5 -0.706 23.5-143.1 -89.0 141.1 -55.8 56.7 1.5 72 76 A R E -K 124 0G 160 -2,-0.3 2,-0.4 52,-0.2 52,-0.2 -0.919 18.7-176.0-109.6 124.1 -56.1 60.0 -0.2 73 77 A L E -K 123 0G 1 50,-2.5 50,-2.7 -2,-0.5 2,-0.5 -0.926 23.2-127.2-119.2 144.1 -54.5 63.1 1.4 74 78 A K E -Kl 122 93G 123 18,-2.4 20,-2.9 -2,-0.4 2,-0.9 -0.775 18.3-135.1 -91.6 127.8 -54.6 66.7 0.3 75 79 A V E + l 0 94G 41 46,-1.7 20,-0.2 -2,-0.5 3,-0.1 -0.730 30.8 170.5 -83.6 108.4 -51.2 68.4 -0.1 76 80 A I E - 0 0 64 18,-2.5 2,-0.3 -2,-0.9 19,-0.2 0.484 56.2 -24.7-100.4 -3.6 -51.8 71.8 1.6 77 81 A G E - l 0 95G 25 17,-0.6 19,-2.2 2,-0.0 2,-0.3 -0.968 57.6-115.0-178.8-167.9 -48.2 73.2 1.7 78 82 A S E - l 0 96G 53 -2,-0.3 2,-0.4 17,-0.3 19,-0.2 -0.984 6.2-148.5-152.2 160.8 -44.5 72.5 1.8 79 83 A V E - l 0 97G 0 17,-1.8 19,-1.7 -2,-0.3 2,-0.3 -0.988 18.9-177.5-136.7 125.4 -41.4 72.8 4.0 80 84 A H > - 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