==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 31-OCT-06 2NQK . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.NICOLAS,S.XIANG,H.SCHINDELIN,K.V.RAJAGOPALAN . 806 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 18.2 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 . 67 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 15.6 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 1 2 3 0 0 2 0 4 0 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 0 6 0 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 5 7 6 0 2 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 7 A L 0 0 173 0, 0.0 2,-0.3 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 -62.8 -21.8 73.2 -2.5 2 8 A M B -a 270 0A 42 267,-2.5 269,-3.0 1,-0.1 2,-0.1 -0.593 360.0-119.7 -77.4 139.3 -19.8 70.0 -3.2 3 9 A S > - 0 0 31 -2,-0.3 4,-1.6 267,-0.2 5,-0.1 -0.423 10.4-129.8 -84.3 149.0 -21.6 66.6 -3.4 4 10 A L H > S+ 0 0 20 267,-0.4 4,-3.0 1,-0.2 5,-0.2 0.915 107.8 50.9 -64.0 -46.9 -20.8 63.7 -1.1 5 11 A D H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.941 110.9 50.0 -57.7 -46.5 -20.5 61.1 -3.8 6 12 A T H > S+ 0 0 65 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.829 113.5 46.9 -56.0 -39.7 -18.0 63.4 -5.7 7 13 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 3,-0.5 0.957 112.0 47.7 -70.9 -57.9 -16.0 63.9 -2.5 8 14 A L H X S+ 0 0 16 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.921 111.9 50.8 -46.3 -52.8 -15.8 60.3 -1.5 9 15 A N H X S+ 0 0 86 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.802 109.5 50.0 -63.9 -31.5 -14.8 59.3 -5.0 10 16 A E H X S+ 0 0 92 -4,-1.1 4,-1.0 -3,-0.5 -1,-0.2 0.902 111.3 49.3 -74.4 -40.4 -12.0 61.8 -5.2 11 17 A M H >X S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.6 0.958 113.8 45.7 -58.9 -47.8 -10.7 60.7 -1.9 12 18 A L H >< S+ 0 0 30 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.855 106.0 58.7 -67.3 -35.6 -10.7 57.1 -2.9 13 19 A S H 3< S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.710 105.2 51.0 -68.6 -21.2 -9.2 57.7 -6.4 14 20 A R H << S+ 0 0 113 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.2 0.634 95.3 94.3 -85.3 -16.2 -6.0 59.2 -4.7 15 21 A V << - 0 0 5 -3,-0.8 -4,-0.0 -4,-0.6 272,-0.0 -0.605 55.5-159.7 -97.9 140.3 -5.5 56.3 -2.3 16 22 A T - 0 0 109 -2,-0.3 -3,-0.0 297,-0.0 -2,-0.0 -0.945 27.3-119.4-115.3 119.7 -3.3 53.2 -2.7 17 23 A P - 0 0 52 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.217 34.3-101.7 -55.7 147.7 -4.0 50.2 -0.6 18 24 A L - 0 0 24 295,-2.3 151,-0.1 1,-0.1 154,-0.0 -0.224 32.8-177.5 -64.7 159.7 -1.4 48.9 1.8 19 25 A T + 0 0 115 2,-0.1 -1,-0.1 149,-0.0 295,-0.0 0.529 40.8 119.0-132.9 -31.5 0.7 45.9 0.8 20 26 A A - 0 0 43 149,-0.1 150,-2.7 1,-0.1 2,-0.2 -0.109 50.8-159.6 -41.3 131.6 2.9 45.4 3.8 21 27 A Q E -B 169 0B 111 148,-0.3 2,-0.3 14,-0.0 148,-0.2 -0.704 24.5-171.6-123.2 168.2 2.2 41.9 5.2 22 28 A E E -B 168 0B 72 146,-1.9 146,-2.9 -2,-0.2 2,-0.5 -0.967 25.1-126.0-151.5 142.5 2.5 39.7 8.3 23 29 A T E +B 167 0B 76 -2,-0.3 -2,-0.0 144,-0.3 146,-0.0 -0.863 34.4 176.4 -97.1 125.7 1.8 36.0 8.8 24 30 A L E -B 166 0B 19 142,-2.4 142,-2.2 -2,-0.5 2,-0.1 -0.945 35.4-104.0-129.9 149.0 -0.6 35.1 11.6 25 31 A P E > -B 165 0B 47 0, 0.0 3,-2.3 0, 0.0 140,-0.3 -0.380 44.8-108.6 -63.1 145.1 -2.2 32.0 13.0 26 32 A L G > S+ 0 0 8 138,-2.0 3,-2.4 1,-0.3 4,-0.1 0.838 113.3 66.8 -50.0 -42.6 -5.9 31.8 11.9 27 33 A V G 3 S+ 0 0 42 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.732 103.7 48.8 -54.2 -18.3 -7.4 32.5 15.4 28 34 A Q G < S+ 0 0 112 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.189 90.2 81.6-108.0 15.7 -5.9 36.1 15.1 29 35 A C X + 0 0 0 -3,-2.4 3,-1.6 -4,-0.1 121,-0.3 0.224 51.4 135.9-108.3 13.0 -7.1 37.0 11.6 30 36 A F T 3 S+ 0 0 28 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.436 83.8 5.9 -64.6 130.9 -10.7 38.0 12.3 31 37 A G T 3 S+ 0 0 19 119,-3.3 -1,-0.3 1,-0.3 120,-0.1 0.248 104.2 130.1 86.5 -14.1 -11.4 41.1 10.4 32 38 A R < - 0 0 28 -3,-1.6 118,-3.4 118,-0.3 2,-0.5 -0.325 56.9-121.3 -77.7 154.8 -8.1 40.9 8.6 33 39 A I B -D 149 0C 10 136,-0.4 136,-2.0 116,-0.2 2,-0.3 -0.797 25.4-116.1 -99.5 132.1 -7.4 41.1 4.9 34 40 A L B -C 168 0B 1 114,-2.8 113,-2.5 -2,-0.5 134,-0.3 -0.468 20.4-166.7 -66.4 126.1 -5.7 38.3 3.0 35 41 A A S S+ 0 0 22 132,-2.3 2,-0.3 -2,-0.3 133,-0.2 0.788 74.3 27.6 -81.0 -31.6 -2.3 39.5 1.5 36 42 A S S S- 0 0 54 131,-0.8 -1,-0.2 109,-0.1 111,-0.1 -0.961 93.9 -91.7-131.9 153.1 -2.0 36.4 -0.8 37 43 A D - 0 0 84 -2,-0.3 2,-0.7 109,-0.1 -2,-0.0 -0.313 38.3-128.4 -57.5 133.8 -4.4 34.0 -2.5 38 44 A V E -E 144 0D 9 106,-2.8 105,-2.4 128,-0.0 106,-1.1 -0.822 26.3-160.2 -86.5 118.5 -5.2 30.9 -0.4 39 45 A V E -E 142 0D 79 -2,-0.7 103,-0.2 103,-0.2 102,-0.1 -0.883 18.7-117.1-103.6 133.8 -4.5 27.9 -2.6 40 46 A S - 0 0 2 101,-2.9 100,-3.4 -2,-0.4 101,-0.2 -0.514 20.2-169.1 -74.7 125.0 -6.1 24.5 -1.7 41 47 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.679 71.1 38.9 -81.4 -19.6 -3.6 21.7 -0.9 42 48 A L S S- 0 0 55 96,-0.1 2,-0.4 97,-0.0 98,-0.1 -0.767 84.0-103.6-125.4 168.5 -6.3 19.0 -1.0 43 49 A D - 0 0 52 -2,-0.3 95,-0.2 95,-0.2 92,-0.1 -0.765 36.5-126.7 -88.3 138.1 -9.4 17.9 -2.8 44 50 A V B S+F 137 0E 37 93,-3.0 93,-2.5 -2,-0.4 92,-1.1 -0.966 102.7 29.6-129.4 116.7 -12.8 18.5 -1.2 45 51 A P S S- 0 0 20 0, 0.0 89,-2.5 0, 0.0 92,-0.1 0.637 88.2-153.2 -67.7 166.8 -14.4 16.1 -1.0 46 52 A G S S+ 0 0 46 87,-0.2 2,-0.3 -2,-0.2 87,-0.1 0.542 72.8 14.8 -87.8 -8.2 -11.4 13.8 -0.8 47 53 A F S S- 0 0 102 85,-0.1 2,-0.4 84,-0.1 87,-0.1 -0.951 94.0 -77.8-156.2 166.9 -13.2 10.8 -2.3 48 54 A D + 0 0 51 -2,-0.3 50,-1.8 50,-0.1 2,-0.3 -0.633 59.5 168.0 -74.9 128.8 -16.3 9.9 -4.2 49 55 A N E -GH 97 131F 12 82,-1.7 82,-2.8 -2,-0.4 2,-0.3 -0.921 36.2 -82.2-143.0 167.2 -19.3 9.7 -1.9 50 56 A S E - H 0 130F 0 46,-2.6 45,-3.2 43,-0.4 80,-0.2 -0.478 17.3-161.0 -79.7 132.4 -23.1 9.5 -1.8 51 57 A A S S+ 0 0 19 78,-2.9 2,-0.3 -2,-0.3 43,-0.2 0.612 77.3 22.3 -74.1 -17.1 -25.3 12.6 -2.2 52 58 A M S S- 0 0 49 77,-0.5 2,-0.7 41,-0.2 44,-0.1 -0.919 84.1 -93.9-146.6 167.3 -28.2 10.7 -0.6 53 59 A N S S+ 0 0 46 -2,-0.3 55,-1.6 40,-0.2 56,-0.3 -0.829 84.4 76.5 -84.9 116.7 -29.5 8.0 1.6 54 60 A G E S-IJ 92 107G 0 38,-2.6 38,-2.3 -2,-0.7 2,-0.4 -0.824 80.8 -40.6 179.0-135.2 -30.2 5.0 -0.7 55 61 A Y E -IJ 91 106G 9 51,-2.8 51,-2.7 -2,-0.2 2,-0.5 -0.953 34.5-135.4-130.4 141.5 -28.4 2.3 -2.6 56 62 A A E +IJ 90 105G 0 34,-3.1 34,-1.9 -2,-0.4 2,-0.3 -0.809 39.5 165.4 -92.8 131.1 -25.2 2.1 -4.6 57 63 A V E - J 0 104G 0 47,-2.6 46,-1.9 -2,-0.5 47,-1.6 -0.870 36.5-116.2-141.3 169.1 -25.6 0.2 -7.8 58 64 A R > - 0 0 47 -2,-0.3 4,-1.6 30,-0.3 5,-0.2 -0.907 27.8-125.2-108.5 140.2 -24.1 -0.6 -11.2 59 65 A L H > S+ 0 0 48 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.784 109.2 52.7 -51.5 -31.7 -25.9 0.4 -14.4 60 66 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 103.3 53.7 -74.5 -48.3 -25.8 -3.3 -15.6 61 67 A D H > S+ 0 0 18 1,-0.2 4,-1.3 2,-0.2 5,-0.4 0.850 109.4 51.3 -51.8 -38.3 -27.4 -4.9 -12.5 62 68 A I H >< S+ 0 0 36 -4,-1.6 3,-0.6 2,-0.2 -1,-0.2 0.951 106.7 52.4 -64.3 -47.9 -30.3 -2.4 -13.0 63 69 A A H 3< S+ 0 0 86 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.854 101.1 60.9 -58.7 -36.5 -30.7 -3.4 -16.7 64 70 A S H 3< S- 0 0 90 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.915 97.1-157.2 -50.7 -48.7 -30.9 -7.0 -15.5 65 71 A G << + 0 0 51 -4,-1.3 -3,-0.1 -3,-0.6 -2,-0.1 0.374 43.1 126.2 89.5 2.9 -34.0 -5.8 -13.6 66 72 A Q S S- 0 0 77 -5,-0.4 -1,-0.3 1,-0.1 54,-0.2 -0.499 75.1 -87.0 -82.9 159.8 -34.4 -8.3 -10.8 67 73 A P - 0 0 34 0, 0.0 52,-0.3 0, 0.0 -1,-0.1 -0.356 46.0-130.2 -62.4 152.3 -34.5 -7.0 -7.2 68 74 A L B -L 118 0H 0 50,-2.5 50,-2.8 -3,-0.1 20,-0.2 -0.931 12.2-136.4-114.9 118.9 -31.0 -6.7 -5.9 69 75 A P - 0 0 59 0, 0.0 20,-2.0 0, 0.0 2,-0.6 -0.439 30.1-104.8 -69.4 149.3 -30.2 -8.2 -2.5 70 76 A V E -k 89 0G 71 18,-0.2 20,-0.2 1,-0.1 3,-0.1 -0.665 32.0-175.4 -79.2 116.1 -28.2 -6.1 -0.2 71 77 A A E - 0 0 35 18,-2.2 2,-0.3 -2,-0.6 19,-0.2 0.548 62.3 -58.1 -83.1 -12.0 -24.5 -7.3 -0.0 72 78 A G E -k 90 0G 18 17,-0.7 19,-2.7 2,-0.0 2,-0.3 -0.988 56.9 -88.6 164.5-161.0 -23.5 -4.8 2.7 73 79 A K E -k 91 0G 84 -2,-0.3 2,-0.4 17,-0.2 19,-0.2 -0.983 9.8-152.5-145.6 153.5 -23.3 -1.1 3.6 74 80 A S E +k 92 0G 0 17,-2.1 19,-1.0 -2,-0.3 22,-0.2 -0.993 30.4 166.5-125.2 134.5 -21.0 1.9 3.4 75 81 A F B > -N 78 0I 61 3,-1.6 3,-0.5 -2,-0.4 5,-0.1 -0.358 45.9 -53.8-129.4-160.6 -21.4 4.6 6.1 76 82 A A T 3 S- 0 0 82 1,-0.2 2,-0.7 20,-0.2 -1,-0.1 0.943 124.4 -0.7 -47.9 -96.9 -19.8 7.7 7.6 77 83 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.2 19,-0.1 520,-0.1 -0.368 123.6 73.0-100.4 54.0 -16.2 6.7 8.6 78 84 A Q B < -N 75 0I 106 -2,-0.7 -3,-1.6 -3,-0.5 -1,-0.2 -0.407 67.0-159.6-165.4 78.8 -16.5 3.1 7.5 79 85 A P - 0 0 54 0, 0.0 2,-0.7 0, 0.0 -6,-0.1 0.051 37.4 -90.7 -45.6 163.9 -16.4 2.4 3.8 80 86 A Y - 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