==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 31-OCT-06 2NQU . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.NICOLAS,S.XIANG,H.SCHINDELIN,K.V.RAJAGOPALAN . 807 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 18.0 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 . 6 0.7 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 . 59 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 15.2 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 1 2 0 0 2 2 2 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 1 5 0 1 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 . 14 3 5 7 6 1 1 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 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 0 170 0, 0.0 269,-0.1 0, 0.0 270,-0.1 0.000 360.0 360.0 360.0 -35.3 7.0 41.1 59.6 2 8 A M - 0 0 65 268,-0.2 269,-2.3 267,-0.1 2,-0.1 0.309 360.0-113.1 -37.0 148.1 6.1 37.7 57.8 3 9 A S > - 0 0 31 267,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.444 11.2-125.6 -89.9 158.1 6.2 34.3 59.6 4 10 A L H > S+ 0 0 14 267,-0.3 4,-2.9 1,-0.2 3,-0.4 0.966 113.1 53.9 -59.1 -53.0 8.4 31.2 59.0 5 11 A D H > S+ 0 0 116 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.857 110.2 46.8 -50.6 -44.3 5.4 29.0 58.6 6 12 A T H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.814 112.0 49.8 -69.2 -36.4 4.0 31.4 55.8 7 13 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -3,-0.4 -2,-0.2 0.937 109.4 52.4 -66.4 -48.6 7.3 31.7 53.9 8 14 A L H X S+ 0 0 38 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.946 110.7 45.3 -51.9 -55.7 7.7 27.9 53.9 9 15 A N H X S+ 0 0 98 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.864 110.9 54.1 -66.7 -36.0 4.2 27.2 52.4 10 16 A E H X S+ 0 0 82 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.979 111.3 45.5 -56.3 -53.1 4.6 29.9 49.9 11 17 A M H < S+ 0 0 0 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.888 117.7 42.5 -59.0 -42.4 8.0 28.4 48.7 12 18 A L H >< S+ 0 0 34 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.859 107.5 57.3 -80.5 -38.7 6.7 24.8 48.6 13 19 A S H 3< S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 107.6 52.1 -58.3 -31.3 3.3 25.4 47.0 14 20 A R T 3< S+ 0 0 90 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.2 0.642 97.5 89.1 -75.3 -13.3 5.2 27.1 44.1 15 21 A V < - 0 0 4 -3,-1.2 -3,-0.0 -4,-0.3 -4,-0.0 -0.668 59.8-153.0-107.3 143.8 7.5 24.1 43.5 16 22 A T - 0 0 101 -2,-0.3 -3,-0.0 297,-0.0 -2,-0.0 -0.910 25.1-116.9-113.3 127.8 7.2 21.0 41.4 17 23 A P - 0 0 58 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.311 34.0-114.4 -59.5 140.8 8.9 17.7 42.2 18 24 A L - 0 0 28 295,-2.2 151,-0.1 294,-0.2 154,-0.0 -0.275 30.0-177.8 -65.8 164.1 11.4 16.5 39.6 19 25 A T + 0 0 113 2,-0.1 -1,-0.1 149,-0.0 2,-0.1 0.321 39.8 119.7-146.0 -11.5 10.6 13.3 37.7 20 26 A A - 0 0 48 150,-0.1 150,-2.0 149,-0.0 2,-0.3 -0.455 50.2-169.7 -55.8 138.4 13.6 12.7 35.4 21 27 A Q E -A 169 0A 102 148,-0.3 2,-0.3 -2,-0.1 148,-0.2 -0.783 23.0-165.3-129.9 166.8 14.8 9.4 36.6 22 28 A E E -A 168 0A 85 146,-2.2 146,-3.2 -2,-0.3 2,-0.5 -0.942 24.7-119.9-147.3 165.3 17.8 7.0 36.2 23 29 A T E +A 167 0A 76 -2,-0.3 -2,-0.0 144,-0.3 142,-0.0 -0.899 35.2 178.5-115.4 127.4 18.2 3.4 37.0 24 30 A L E -A 166 0A 20 142,-2.7 142,-2.2 -2,-0.5 5,-0.1 -0.982 33.7-103.2-138.5 145.0 20.9 2.3 39.5 25 31 A P E > -A 165 0A 45 0, 0.0 3,-1.8 0, 0.0 140,-0.3 -0.251 43.8-110.4 -57.8 149.4 22.3 -0.7 41.2 26 32 A L G > S+ 0 0 9 138,-2.0 3,-2.3 1,-0.3 4,-0.1 0.839 114.1 62.7 -58.6 -40.0 21.2 -1.0 44.8 27 33 A V G 3 S+ 0 0 47 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.707 104.1 51.9 -61.0 -18.0 24.6 -0.3 46.3 28 34 A Q G < S+ 0 0 114 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.403 91.2 80.2 -98.7 7.4 24.4 3.2 44.7 29 35 A C X + 0 0 0 -3,-2.3 3,-2.3 -4,-0.1 121,-0.3 0.290 48.4 136.0-103.1 10.9 21.0 4.2 46.0 30 36 A F T 3 S+ 0 0 31 -3,-0.4 121,-0.2 1,-0.3 3,-0.1 -0.380 85.8 2.4 -66.5 124.7 21.6 5.3 49.6 31 37 A G T 3 S+ 0 0 23 119,-3.9 -1,-0.3 1,-0.3 2,-0.1 0.421 101.7 130.4 84.3 -1.5 19.5 8.5 50.1 32 38 A R < - 0 0 28 -3,-2.3 118,-3.1 118,-0.2 2,-0.5 -0.474 58.4-118.3 -82.8 159.8 18.1 8.4 46.7 33 39 A I B -C 149 0B 11 136,-0.4 136,-2.2 116,-0.2 116,-0.2 -0.864 23.9-121.8-101.9 120.6 14.3 8.8 45.9 34 40 A L B -B 168 0A 2 114,-2.2 113,-3.1 -2,-0.5 134,-0.3 -0.409 17.2-162.4 -61.2 132.8 12.5 5.9 44.2 35 41 A A S S+ 0 0 22 132,-2.9 2,-0.3 111,-0.2 133,-0.2 0.766 73.8 27.7 -86.0 -33.8 10.8 7.1 41.0 36 42 A S S S- 0 0 52 131,-0.8 -1,-0.2 109,-0.1 108,-0.1 -0.989 95.1 -91.7-128.4 146.8 8.4 4.2 40.6 37 43 A D - 0 0 81 -2,-0.3 2,-0.5 109,-0.1 -2,-0.0 -0.194 41.5-123.9 -40.9 127.8 6.7 1.9 43.2 38 44 A V E -D 144 0C 9 106,-2.7 105,-2.1 128,-0.0 106,-0.8 -0.786 28.9-159.3 -82.8 130.9 8.7 -1.3 43.8 39 45 A V E -D 142 0C 73 -2,-0.5 103,-0.2 103,-0.2 102,-0.1 -0.937 17.8-117.1-120.1 127.7 6.5 -4.3 43.1 40 46 A S - 0 0 2 101,-2.5 100,-2.5 -2,-0.5 101,-0.1 -0.433 15.9-163.9 -70.6 124.0 7.2 -7.7 44.5 41 47 A P S S+ 0 0 83 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.728 74.6 26.2 -71.9 -23.5 7.9 -10.4 41.8 42 48 A L S S- 0 0 61 96,-0.1 2,-0.2 97,-0.1 98,-0.1 -0.816 85.7 -92.6-138.0 172.7 7.4 -13.2 44.4 43 49 A D - 0 0 45 -2,-0.2 95,-0.2 95,-0.2 90,-0.1 -0.601 36.3-124.4 -87.1 150.1 5.6 -14.2 47.7 44 50 A V B S+E 137 0D 45 93,-2.9 93,-2.6 -2,-0.2 92,-1.5 -0.938 99.9 30.0-143.1 113.6 7.1 -13.8 51.1 45 51 A P S S- 0 0 20 0, 0.0 89,-1.8 0, 0.0 -1,-0.2 0.522 85.9-147.7 -74.7 167.8 7.2 -16.2 52.6 46 52 A G S S+ 0 0 37 87,-0.2 2,-0.3 1,-0.2 -3,-0.1 0.957 77.1 11.3 -62.1 -50.0 7.4 -18.8 49.8 47 53 A F S S- 0 0 103 86,-0.1 -1,-0.2 85,-0.1 84,-0.1 -0.887 95.1 -83.6-135.3 148.6 5.5 -21.6 51.4 48 54 A D + 0 0 56 -2,-0.3 50,-1.3 50,-0.1 2,-0.3 -0.295 60.6 177.1 -56.5 138.1 3.2 -21.9 54.5 49 55 A N E -FG 97 131E 15 82,-2.6 82,-3.5 48,-0.3 2,-0.2 -0.949 30.8 -86.6-149.4 163.8 5.5 -22.5 57.5 50 56 A S E - G 0 130E 0 46,-2.7 45,-2.9 43,-0.4 80,-0.2 -0.505 18.8-160.1 -83.9 143.1 5.6 -22.9 61.2 51 57 A A S S+ 0 0 17 78,-2.3 2,-0.3 43,-0.2 43,-0.2 0.599 74.3 35.4 -90.1 -16.0 5.7 -19.9 63.6 52 58 A M S S- 0 0 61 77,-0.4 2,-0.5 41,-0.1 54,-0.1 -0.891 83.6-104.8-135.2 159.2 7.0 -21.8 66.6 53 59 A D S S+ 0 0 78 -2,-0.3 55,-2.3 40,-0.2 56,-0.3 -0.788 84.7 74.5 -78.1 128.4 9.2 -24.7 67.6 54 60 A G E S-HI 92 107F 0 38,-3.2 38,-2.2 -2,-0.5 2,-0.4 -0.865 80.7 -32.1 169.3-134.9 6.6 -27.4 68.5 55 61 A Y E -HI 91 106F 8 51,-2.5 51,-2.8 -2,-0.3 2,-0.4 -0.967 34.8-139.9-130.7 141.2 4.2 -29.9 66.9 56 62 A A E -HI 90 105F 0 34,-2.8 34,-1.8 -2,-0.4 2,-0.3 -0.858 33.2-178.4 -95.9 135.2 2.1 -29.9 63.7 57 63 A V E - I 0 104F 0 47,-2.5 46,-1.7 -2,-0.4 47,-1.4 -0.958 32.6-130.0-137.7 145.2 -1.3 -31.4 64.2 58 64 A R - 0 0 42 30,-0.4 4,-0.3 -2,-0.3 44,-0.1 -0.548 31.1-129.1 -71.6 158.4 -4.6 -32.4 62.5 59 65 A L S >> S+ 0 0 41 -2,-0.2 4,-1.6 2,-0.2 3,-0.5 0.816 104.3 59.0 -86.4 -30.5 -7.6 -31.0 64.4 60 66 A A H 3> S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.989 103.4 51.6 -51.2 -63.5 -9.4 -34.3 64.5 61 67 A D H 34 S+ 0 0 23 1,-0.2 5,-0.4 2,-0.2 -1,-0.2 0.588 107.1 55.8 -56.1 -16.7 -6.5 -36.0 66.3 62 68 A I H X4 S+ 0 0 19 -3,-0.5 3,-1.4 -4,-0.3 4,-0.3 0.935 100.0 53.4 -80.8 -49.4 -6.5 -33.3 69.0 63 69 A A H 3< S+ 0 0 89 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.1 0.762 89.4 82.5 -60.6 -25.6 -10.1 -33.5 70.2 64 70 A S T 3< S- 0 0 73 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.1 0.333 93.3-139.6 -60.2 5.5 -9.6 -37.2 70.7 65 71 A G < + 0 0 71 -3,-1.4 -2,-0.1 1,-0.1 -1,-0.1 0.769 61.6 121.6 37.1 44.4 -8.0 -36.3 74.1 66 72 A Q S S- 0 0 122 -5,-0.4 -1,-0.1 -4,-0.3 52,-0.1 -0.999 72.1 -98.8-140.1 135.4 -5.3 -38.9 73.5 67 73 A P - 0 0 23 0, 0.0 52,-0.2 0, 0.0 46,-0.0 -0.276 35.8-138.4 -61.1 133.5 -1.5 -38.5 73.3 68 74 A L B -K 118 0G 3 50,-2.9 50,-2.2 20,-0.1 20,-0.2 -0.834 9.9-136.6 -98.2 118.6 -0.2 -38.4 69.8 69 75 A P - 0 0 62 0, 0.0 20,-2.1 0, 0.0 2,-0.7 -0.410 29.3-106.6 -63.6 150.0 3.0 -40.2 68.9 70 76 A V E -j 89 0F 71 18,-0.2 20,-0.2 1,-0.2 3,-0.1 -0.735 30.9-175.9 -83.5 113.0 5.6 -38.4 66.8 71 77 A A E - 0 0 39 18,-2.6 2,-0.3 -2,-0.7 19,-0.2 0.843 59.4 -56.7 -70.3 -34.8 5.6 -39.7 63.2 72 78 A G E -j 90 0F 3 17,-0.8 19,-2.4 10,-0.0 2,-0.3 -0.950 53.5 -69.1-179.4-164.1 8.5 -37.4 62.2 73 79 A K E -j 91 0F 141 -2,-0.3 2,-0.3 17,-0.2 19,-0.2 -0.836 16.2-169.9-119.6 150.3 10.3 -34.1 61.7 74 80 A S E +j 92 0F 0 17,-0.8 19,-1.4 -2,-0.3 2,-0.2 -0.899 18.0 173.2-138.0 116.5 10.1 -31.1 59.4 75 81 A F B > -M 78 0H 71 3,-2.2 3,-1.8 -2,-0.3 20,-0.1 -0.758 50.4 -77.5-113.9 165.0 12.9 -28.5 59.5 76 82 A A T 3 S+ 0 0 71 18,-0.3 19,-0.0 1,-0.3 16,-0.0 0.643 125.1 11.8 -24.9 -49.5 13.6 -25.4 57.3 77 83 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 19,-0.1 19,-0.1 0.089 120.1 65.3-135.9 21.5 14.9 -27.2 54.2 78 84 A Q B < S-M 75 0H 128 -3,-1.8 -3,-2.2 19,-0.1 -1,-0.2 -0.775 71.7-170.0-130.3 96.9 14.1 -30.8 54.8 79 85 A P - 0 0 57 0, 0.0 2,-0.7 0, 0.0 -6,-0.1 -0.064 32.4-100.8 -65.0 176.5 10.3 -30.9 54.8 80 86 A Y + 0 0 55 17,-0.3 20,-0.3 1,-0.1 -6,-0.1 -0.944 50.9 157.8 -98.1 112.6 8.4 -34.0 55.9 81 87 A H + 0 0 156 -2,-0.7 -1,-0.1 18,-0.1 3,-0.1 0.218 41.6 102.2-119.9 15.5 7.3 -35.8 52.7 82 88 A G S S- 0 0 52 1,-0.2 2,-0.2 0, 0.0 -2,-0.1 0.097 86.8 -76.8 -65.7-165.2 6.8 -39.3 54.2 83 89 A E - 0 0 149 -12,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.494 38.4-138.5 -92.1 170.7 3.2 -40.4 55.0 84 90 A W - 0 0 36 -2,-0.2 4,-0.1 -3,-0.1 6,-0.1 -0.815 13.1-152.8-138.9 96.8 1.3 -39.2 58.0 85 91 A P > - 0 0 61 0, 0.0 3,-0.7 0, 0.0 -14,-0.1 -0.218 29.4 -99.5 -66.1 155.3 -0.8 -41.8 60.0 86 92 A A T 3 S+ 0 0 79 1,-0.2 3,-0.1 -26,-0.0 0, 0.0 -0.318 105.9 35.7 -68.6 159.8 -3.9 -40.7 62.0 87 93 A G T 3 S+ 0 0 27 1,-0.3 2,-0.3 -19,-0.1 -1,-0.2 0.731 102.8 95.7 69.7 21.4 -3.4 -40.2 65.8 88 94 A T < - 0 0 15 -3,-0.7 -30,-0.4 -20,-0.2 -1,-0.3 -0.856 55.4-152.0-132.1 170.8 0.1 -38.8 65.3 89 95 A C E - j 0 70F 0 -20,-2.1 -18,-2.6 -2,-0.3 -17,-0.8 -0.802 16.8-118.6-132.9 178.4 1.8 -35.5 65.1 90 96 A I E -Hj 56 72F 0 -34,-1.8 -34,-2.8 -2,-0.2 -17,-0.2 -0.978 19.4-127.7-126.7 120.7 5.0 -34.0 63.5 91 97 A R E +Hj 55 73F 53 -19,-2.4 -17,-0.8 -2,-0.5 2,-0.3 -0.381 41.4 176.4 -54.0 140.3 7.9 -32.4 65.3 92 98 A I E -Hj 54 74F 0 -38,-2.2 -38,-3.2 -19,-0.2 2,-0.2 -0.975 22.1-146.2-155.8 142.1 8.5 -29.0 63.6 93 99 A M > - 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