==== 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 02-NOV-06 2NRO . 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) . 35206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 537 66.6 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 . 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 . 66 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 8.7 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 3 2 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 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 . 12 5 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 5 3 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 0 171 0, 0.0 2,-0.3 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 -44.5 -21.6 73.1 -2.2 2 8 A M B -a 270 0A 39 267,-3.3 269,-4.1 1,-0.1 2,-0.2 -0.655 360.0-118.0 -90.3 138.7 -19.8 69.8 -3.0 3 9 A S > - 0 0 32 -2,-0.3 4,-2.2 267,-0.2 5,-0.1 -0.480 13.9-131.6 -75.4 139.5 -21.7 66.5 -3.3 4 10 A L H > S+ 0 0 17 267,-0.3 4,-3.0 1,-0.2 5,-0.3 0.907 107.9 53.9 -48.3 -49.4 -20.8 63.6 -0.9 5 11 A D H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.943 109.8 48.1 -59.5 -41.6 -20.5 61.1 -3.7 6 12 A T H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 113.6 47.2 -66.3 -41.0 -18.0 63.4 -5.5 7 13 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.960 113.7 46.3 -61.3 -59.2 -15.9 64.0 -2.3 8 14 A L H X S+ 0 0 8 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.925 112.8 51.0 -48.5 -50.6 -15.8 60.4 -1.4 9 15 A N H X S+ 0 0 85 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.888 110.8 48.1 -62.5 -38.3 -14.9 59.4 -5.0 10 16 A E H X S+ 0 0 92 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.890 111.6 50.3 -70.2 -38.1 -12.1 61.9 -5.2 11 17 A M H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.6 0.964 113.9 44.5 -62.2 -49.7 -10.7 60.7 -1.8 12 18 A L H >< S+ 0 0 36 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.831 105.3 61.4 -62.0 -35.0 -10.8 57.1 -2.8 13 19 A S H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.687 104.7 49.6 -69.7 -19.9 -9.3 57.8 -6.2 14 20 A R H << S+ 0 0 112 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.3 0.598 94.4 94.8 -86.7 -17.8 -6.1 59.2 -4.6 15 21 A V << - 0 0 6 -3,-1.0 -4,-0.0 -4,-0.6 -3,-0.0 -0.650 55.7-156.9-100.0 140.0 -5.5 56.3 -2.2 16 22 A T - 0 0 110 -2,-0.3 3,-0.1 297,-0.0 2,-0.0 -0.896 27.3-120.2-110.2 121.6 -3.3 53.2 -2.6 17 23 A P - 0 0 51 0, 0.0 297,-0.2 0, 0.0 296,-0.2 -0.391 35.3-101.8 -60.9 143.5 -4.1 50.2 -0.5 18 24 A L - 0 0 27 295,-2.8 151,-0.1 1,-0.1 154,-0.0 -0.160 33.1-176.8 -57.7 157.8 -1.4 49.0 1.9 19 25 A T + 0 0 119 -3,-0.1 -1,-0.1 2,-0.0 295,-0.0 0.492 41.5 117.9-131.6 -24.8 0.6 46.0 0.9 20 26 A A - 0 0 46 149,-0.1 150,-2.2 1,-0.1 2,-0.3 -0.159 51.6-162.0 -44.3 142.4 2.9 45.4 3.9 21 27 A Q E -B 169 0B 113 148,-0.3 2,-0.3 146,-0.0 148,-0.2 -0.771 25.2-169.1-131.3 168.8 2.1 42.0 5.3 22 28 A E E -B 168 0B 75 146,-2.2 146,-3.3 -2,-0.3 2,-0.5 -0.964 24.1-127.6-149.7 151.9 2.3 39.7 8.3 23 29 A T E +B 167 0B 70 -2,-0.3 -2,-0.0 144,-0.3 142,-0.0 -0.933 34.2 178.0-104.5 127.2 1.6 36.0 8.7 24 30 A L E -B 166 0B 20 142,-2.7 142,-2.1 -2,-0.5 5,-0.1 -0.958 34.9-101.8-131.5 148.0 -0.8 35.1 11.6 25 31 A P E > -B 165 0B 49 0, 0.0 3,-2.4 0, 0.0 140,-0.3 -0.407 45.3-108.8 -63.6 147.6 -2.4 32.0 13.0 26 32 A L G > S+ 0 0 10 138,-1.9 3,-1.8 1,-0.3 4,-0.1 0.757 113.3 66.0 -51.1 -35.6 -6.0 31.7 11.9 27 33 A V G 3 S+ 0 0 43 1,-0.3 3,-0.3 137,-0.2 -1,-0.3 0.711 102.7 47.9 -64.4 -15.5 -7.4 32.5 15.3 28 34 A Q G < S+ 0 0 111 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.325 91.2 86.2-106.9 9.1 -6.0 36.1 15.2 29 35 A C X + 0 0 0 -3,-1.8 3,-1.8 -4,-0.2 121,-0.3 0.308 48.5 134.0 -96.4 9.5 -7.2 36.8 11.7 30 36 A F T 3 S+ 0 0 29 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.360 83.3 4.0 -62.6 130.4 -10.8 38.1 12.3 31 37 A G T 3 S+ 0 0 21 119,-3.6 -1,-0.3 1,-0.3 2,-0.1 0.355 102.4 128.4 84.0 -10.5 -11.5 41.2 10.3 32 38 A R < - 0 0 29 -3,-1.8 118,-3.1 118,-0.3 2,-0.5 -0.484 59.0-120.4 -85.2 154.3 -8.1 41.0 8.6 33 39 A I B -D 149 0C 10 136,-0.4 136,-2.1 116,-0.2 116,-0.2 -0.806 25.9-117.8 -96.0 127.1 -7.5 41.2 4.9 34 40 A L B -C 168 0B 1 114,-2.8 113,-3.4 -2,-0.5 134,-0.3 -0.447 19.2-162.3 -59.3 135.0 -5.8 38.3 3.1 35 41 A A S S+ 0 0 22 132,-2.3 2,-0.3 111,-0.2 133,-0.2 0.718 72.1 25.2 -92.9 -27.0 -2.5 39.4 1.5 36 42 A S S S- 0 0 51 131,-0.7 -1,-0.2 109,-0.1 111,-0.1 -0.982 94.8 -86.4-139.2 147.6 -2.2 36.4 -0.9 37 43 A D - 0 0 84 -2,-0.3 2,-0.6 109,-0.1 -2,-0.1 -0.192 38.1-131.5 -46.3 136.6 -4.5 34.0 -2.5 38 44 A V E -E 144 0D 7 106,-2.8 105,-3.2 128,-0.1 106,-1.2 -0.911 26.3-160.0 -92.8 122.9 -5.2 30.9 -0.4 39 45 A V E -E 142 0D 76 -2,-0.6 103,-0.3 103,-0.3 100,-0.1 -0.871 18.5-115.3-108.8 137.0 -4.7 27.9 -2.6 40 46 A S - 0 0 2 101,-3.3 100,-3.2 -2,-0.4 101,-0.3 -0.606 20.0-169.5 -77.1 124.8 -6.3 24.5 -1.7 41 47 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.531 71.9 43.5 -80.0 -9.3 -3.8 21.8 -1.0 42 48 A L S S- 0 0 57 96,-0.1 2,-0.3 92,-0.0 98,-0.1 -0.904 83.0-107.0-138.1 160.1 -6.5 19.1 -1.1 43 49 A D - 0 0 49 -2,-0.3 95,-0.2 95,-0.2 90,-0.1 -0.687 39.9-124.1 -82.3 137.4 -9.6 18.0 -3.0 44 50 A V B S+F 137 0E 39 93,-3.2 93,-2.0 -2,-0.3 92,-1.6 -0.961 102.4 29.0-131.6 114.9 -13.0 18.7 -1.2 45 51 A P S S- 0 0 22 0, 0.0 89,-2.8 0, 0.0 -1,-0.2 0.598 89.9-147.7 -72.0 168.2 -14.5 16.2 -0.9 46 52 A G S S+ 0 0 48 87,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.596 74.4 14.2 -80.0 -14.2 -11.5 13.9 -0.7 47 53 A F S S- 0 0 103 85,-0.1 2,-0.3 84,-0.1 87,-0.1 -0.965 94.3 -78.3-155.5 159.8 -13.2 10.9 -2.3 48 54 A D + 0 0 46 -2,-0.3 50,-2.1 50,-0.1 2,-0.3 -0.523 61.6 167.3 -66.6 129.8 -16.4 10.0 -4.3 49 55 A N E -GH 97 131F 9 82,-2.4 82,-3.4 48,-0.3 2,-0.4 -0.898 35.1 -80.1-147.2 170.4 -19.4 9.8 -2.0 50 56 A S E - H 0 130F 0 46,-2.4 45,-3.5 43,-0.4 80,-0.2 -0.568 15.6-161.3 -88.1 134.1 -23.1 9.7 -1.8 51 57 A A S S+ 0 0 16 78,-3.2 2,-0.3 -2,-0.4 43,-0.1 0.646 76.6 16.4 -76.3 -20.8 -25.4 12.6 -2.2 52 58 A M S S- 0 0 54 77,-0.4 2,-0.5 41,-0.1 44,-0.2 -0.907 83.6 -86.9-143.5 175.0 -28.3 10.8 -0.6 53 59 A D S S+ 0 0 55 -2,-0.3 55,-2.6 40,-0.2 56,-0.3 -0.760 83.6 68.2 -84.6 122.5 -29.6 7.9 1.5 54 60 A G E S-IJ 92 107G 0 38,-2.8 38,-2.4 -2,-0.5 2,-0.4 -0.809 82.3 -30.5 170.2-125.3 -30.3 4.8 -0.7 55 61 A Y E -IJ 91 106G 12 51,-1.9 51,-2.8 -2,-0.2 2,-0.5 -0.984 35.1-136.5-139.8 141.2 -28.3 2.3 -2.7 56 62 A A E +IJ 90 105G 0 34,-3.1 34,-2.0 -2,-0.4 2,-0.3 -0.856 40.4 169.4 -96.8 123.8 -25.2 2.2 -4.6 57 63 A V E - J 0 104G 0 47,-3.2 46,-2.3 -2,-0.5 47,-1.7 -0.821 35.0-123.0-134.0 169.6 -25.6 0.4 -7.9 58 64 A R > - 0 0 48 -2,-0.3 4,-1.8 30,-0.3 3,-0.4 -0.929 26.7-127.0-111.1 140.6 -24.2 -0.5 -11.2 59 65 A L H > S+ 0 0 48 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 0.839 107.9 55.3 -53.8 -37.5 -26.0 0.3 -14.4 60 66 A A H > S+ 0 0 72 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 104.0 53.2 -65.4 -43.5 -25.8 -3.3 -15.7 61 67 A D H > S+ 0 0 17 -3,-0.4 4,-0.9 1,-0.2 5,-0.4 0.938 110.7 46.3 -59.3 -46.7 -27.4 -4.8 -12.6 62 68 A I H >< S+ 0 0 39 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.932 107.3 58.0 -60.8 -44.0 -30.4 -2.4 -12.9 63 69 A A H 3< S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.884 97.1 63.2 -54.2 -34.0 -30.6 -3.2 -16.7 64 70 A S H 3< S- 0 0 89 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.855 98.9-145.6 -61.7 -36.9 -31.0 -6.9 -15.6 65 71 A G << + 0 0 56 -3,-1.2 55,-0.1 -4,-0.9 -1,-0.1 0.217 51.5 120.9 98.6 -11.8 -34.3 -5.9 -13.9 66 72 A Q S S- 0 0 76 -5,-0.4 -1,-0.3 1,-0.1 54,-0.2 -0.418 74.5 -88.5 -83.3 160.5 -34.4 -8.2 -10.9 67 73 A P - 0 0 36 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.438 44.3-134.3 -58.0 141.3 -34.5 -7.1 -7.3 68 74 A L B -L 118 0H 0 50,-2.5 50,-3.1 -2,-0.1 20,-0.2 -0.903 12.0-135.9-106.9 121.2 -31.0 -6.6 -6.0 69 75 A P - 0 0 59 0, 0.0 20,-2.1 0, 0.0 2,-0.7 -0.454 28.7-104.1 -72.3 149.4 -30.2 -8.1 -2.6 70 76 A V E -k 89 0G 73 18,-0.2 20,-0.2 1,-0.1 3,-0.1 -0.642 32.0-174.9 -77.0 111.7 -28.2 -6.0 -0.2 71 77 A A E - 0 0 35 18,-2.3 2,-0.3 -2,-0.7 19,-0.2 0.600 62.5 -56.1 -80.9 -13.4 -24.5 -7.2 -0.1 72 78 A G E -k 90 0G 17 17,-0.5 19,-2.5 8,-0.0 2,-0.3 -0.979 59.0 -92.4 164.5-162.9 -23.5 -4.8 2.7 73 79 A K E -k 91 0G 91 -2,-0.3 2,-0.4 17,-0.2 8,-0.2 -0.958 10.8-148.2-143.1 156.0 -23.4 -1.1 3.5 74 80 A S E +k 92 0G 0 17,-2.8 19,-1.3 -2,-0.3 2,-0.2 -0.996 25.8 172.1-124.4 131.5 -21.2 2.0 3.4 75 81 A F B > -N 78 0I 61 3,-2.3 3,-1.1 -2,-0.4 5,-0.0 -0.580 45.9 -72.4-123.6-172.4 -21.5 4.7 6.1 76 82 A A T 3 S+ 0 0 78 1,-0.3 2,-0.7 20,-0.2 -1,-0.1 0.958 125.0 17.9 -46.2 -77.8 -19.7 8.0 7.3 77 83 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 19,-0.1 520,-0.1 -0.343 123.3 60.7 -99.5 54.6 -16.5 6.7 8.8 78 84 A Q B < -N 75 0I 103 -3,-1.1 -3,-2.3 -2,-0.7 -1,-0.2 -0.348 66.2-156.1-176.3 90.5 -16.5 3.2 7.2 79 85 A P - 0 0 58 0, 0.0 2,-0.6 0, 0.0 -6,-0.1 -0.106 42.4 -88.0 -52.7 163.3 -16.5 2.5 3.5 80 86 A Y - 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