==== 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 2NQS . 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) . 34724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 17.4 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 . 3 0.4 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 . 75 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 2 1 2 1 2 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 0 4 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 PARALLEL BRIDGES PER LADDER . 12 6 5 5 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 . 5 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 0 162 0, 0.0 270,-0.3 0, 0.0 269,-0.1 0.000 360.0 360.0 360.0 -85.7 26.9 8.8 62.9 2 8 A M B -a 270 0A 52 267,-0.7 269,-2.7 268,-0.2 2,-0.3 0.000 360.0-121.8 -43.7 143.9 27.5 11.9 60.7 3 9 A S > - 0 0 30 267,-0.2 4,-3.2 1,-0.1 5,-0.3 -0.700 11.6-120.9 -99.0 144.1 27.4 15.2 62.6 4 10 A L H > S+ 0 0 17 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.876 116.6 46.3 -41.6 -48.2 25.1 18.3 62.0 5 11 A D H > S+ 0 0 110 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 111.3 48.4 -64.8 -48.7 28.3 20.3 61.4 6 12 A T H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 115.1 48.3 -56.9 -43.5 30.1 17.9 59.1 7 13 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.864 109.1 51.3 -64.9 -40.6 26.8 17.6 57.2 8 14 A L H X S+ 0 0 28 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.925 111.7 48.5 -64.4 -43.8 26.3 21.4 56.9 9 15 A N H X S+ 0 0 107 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.944 109.5 50.2 -62.2 -50.1 29.8 21.8 55.6 10 16 A E H X S+ 0 0 86 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.929 116.0 44.7 -54.8 -45.7 29.5 19.1 53.0 11 17 A M H >X S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 4,-0.8 0.991 117.1 40.8 -62.1 -64.3 26.3 20.7 51.8 12 18 A L H >< S+ 0 0 46 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.859 107.9 62.0 -54.5 -41.4 27.3 24.3 51.8 13 19 A S H 3< S+ 0 0 74 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.871 104.5 49.2 -54.4 -39.4 30.8 23.6 50.3 14 20 A R H << S+ 0 0 95 -4,-1.2 2,-0.3 -3,-0.8 -1,-0.3 0.655 94.3 93.8 -76.0 -17.3 29.2 22.2 47.2 15 21 A V << - 0 0 4 -3,-1.1 -4,-0.0 -4,-0.8 -3,-0.0 -0.593 57.0-158.9 -87.2 140.7 26.8 25.1 46.6 16 22 A T - 0 0 112 -2,-0.3 -3,-0.0 297,-0.0 -2,-0.0 -0.966 28.6-111.6-118.2 119.6 27.6 28.1 44.4 17 23 A P - 0 0 50 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.141 33.6-108.7 -50.1 134.7 25.6 31.3 44.9 18 24 A L - 0 0 28 295,-2.9 151,-0.1 1,-0.1 154,-0.0 -0.147 32.0-175.1 -56.5 161.1 23.2 32.3 42.2 19 25 A T + 0 0 108 149,-0.0 -1,-0.1 2,-0.0 295,-0.0 0.472 41.3 116.6-138.3 -15.3 24.4 35.4 40.2 20 26 A A - 0 0 47 149,-0.1 150,-2.8 150,-0.1 2,-0.3 -0.339 49.6-170.4 -57.5 137.2 21.5 36.2 37.8 21 27 A Q E -B 169 0B 114 148,-0.3 2,-0.3 146,-0.0 148,-0.2 -0.841 24.4-168.3-135.0 169.5 20.2 39.6 38.7 22 28 A E E -B 168 0B 79 146,-1.9 146,-3.1 -2,-0.3 2,-0.5 -0.976 25.5-120.7-150.9 154.1 17.4 42.2 38.2 23 29 A T E +B 167 0B 75 -2,-0.3 -2,-0.0 144,-0.3 146,-0.0 -0.884 35.3 177.3-105.1 126.7 17.0 45.8 39.1 24 30 A L E -B 166 0B 18 142,-2.5 142,-2.1 -2,-0.5 5,-0.1 -0.931 35.7 -98.0-132.3 152.9 14.1 46.8 41.3 25 31 A P E > -B 165 0B 52 0, 0.0 3,-1.6 0, 0.0 140,-0.3 -0.268 45.4-110.6 -57.4 151.6 12.6 49.9 42.9 26 32 A L G > S+ 0 0 9 138,-1.7 3,-2.5 1,-0.3 4,-0.2 0.891 113.8 65.2 -53.8 -42.8 13.7 50.1 46.6 27 33 A V G 3 S+ 0 0 48 1,-0.3 3,-0.3 137,-0.2 -1,-0.3 0.667 102.1 48.7 -57.3 -19.0 10.1 49.4 47.9 28 34 A Q G < S+ 0 0 117 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.281 92.3 84.1-103.4 11.3 10.3 45.8 46.4 29 35 A C X + 0 0 0 -3,-2.5 3,-2.4 -4,-0.1 121,-0.3 0.392 49.3 135.2 -96.9 3.4 13.7 45.0 47.8 30 36 A F T 3 S+ 0 0 32 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.270 84.2 2.2 -57.0 128.2 12.9 43.8 51.3 31 37 A G T 3 S+ 0 0 25 119,-3.1 -1,-0.3 1,-0.2 2,-0.2 0.522 103.6 130.2 75.2 3.7 14.8 40.6 52.2 32 38 A R < - 0 0 29 -3,-2.4 118,-2.9 118,-0.3 2,-0.4 -0.620 57.9-117.6 -93.9 152.5 16.6 40.7 48.8 33 39 A I B -D 149 0C 9 136,-0.3 136,-1.7 -2,-0.2 2,-0.3 -0.706 23.9-119.8 -91.7 134.2 20.3 40.4 48.2 34 40 A L B -C 168 0B 2 114,-1.8 113,-2.4 -2,-0.4 134,-0.3 -0.526 15.8-158.8 -71.2 129.1 22.3 43.2 46.6 35 41 A A S S+ 0 0 19 132,-2.8 2,-0.3 -2,-0.3 133,-0.2 0.868 75.2 14.1 -76.4 -36.1 23.9 42.0 43.4 36 42 A S S S- 0 0 50 131,-0.8 -1,-0.2 109,-0.1 111,-0.1 -0.936 95.7 -77.5-138.0 160.2 26.6 44.7 43.4 37 43 A D - 0 0 83 -2,-0.3 2,-0.8 109,-0.1 -2,-0.1 -0.203 39.7-128.5 -55.2 140.8 28.0 47.3 45.8 38 44 A V E -E 144 0D 9 106,-2.8 105,-1.6 128,-0.0 106,-0.8 -0.850 28.3-161.9 -94.9 109.1 25.9 50.4 46.4 39 45 A V E -E 142 0D 76 -2,-0.8 103,-0.2 103,-0.2 100,-0.1 -0.788 19.5-114.1 -97.0 135.4 28.3 53.3 45.9 40 46 A S - 0 0 5 101,-2.3 100,-2.3 -2,-0.4 101,-0.1 -0.460 13.3-157.7 -72.3 131.0 27.4 56.7 47.2 41 47 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.356 74.2 9.6 -85.2 3.0 26.8 59.5 44.7 42 48 A L S S- 0 0 62 96,-0.1 2,-0.3 99,-0.1 99,-0.2 -0.961 82.3 -78.5-164.7-177.4 27.6 62.2 47.3 43 49 A D - 0 0 35 -2,-0.3 95,-0.2 95,-0.1 3,-0.2 -0.715 37.1-131.5 -97.7 147.6 28.9 63.3 50.7 44 50 A V B S+F 137 0E 47 93,-2.6 93,-2.8 1,-0.4 92,-1.8 -0.922 103.8 25.9-144.5 111.4 27.0 63.0 53.9 45 51 A P S S- 0 0 21 0, 0.0 89,-2.9 0, 0.0 -1,-0.4 0.608 90.6-150.6 -73.3 159.5 27.0 65.4 55.4 46 52 A G S S+ 0 0 25 87,-0.2 2,-0.3 -3,-0.2 87,-0.1 0.406 74.8 2.8 -77.5 3.1 27.5 67.5 52.3 47 53 A F S S- 0 0 110 84,-0.1 2,-0.2 85,-0.1 -1,-0.1 -0.949 96.0 -68.5-175.8 161.9 29.5 70.2 54.2 48 54 A D + 0 0 46 -2,-0.3 50,-0.9 84,-0.1 2,-0.3 -0.444 59.6 173.6 -65.7 133.6 30.8 71.0 57.6 49 55 A N E -GH 97 131F 15 82,-3.0 82,-3.9 48,-0.3 2,-0.2 -0.954 35.0 -86.6-142.5 159.8 28.0 71.7 60.0 50 56 A S E - H 0 130F 0 46,-2.8 45,-3.1 43,-0.3 46,-0.3 -0.440 19.9-159.4 -70.7 132.0 27.4 72.4 63.7 51 57 A A S S+ 0 0 12 78,-2.5 2,-0.3 43,-0.2 79,-0.1 0.259 77.5 29.0 -92.4 10.5 26.9 69.4 66.1 52 58 A M S S- 0 0 66 77,-0.3 44,-0.2 44,-0.1 -2,-0.1 -0.924 81.4-108.6-155.6 178.4 25.2 71.6 68.6 53 59 A D S S+ 0 0 62 -2,-0.3 39,-0.3 40,-0.3 54,-0.1 0.540 83.9 94.6 -94.2 -7.8 23.0 74.7 69.1 54 60 A G S S- 0 0 0 1,-0.2 38,-2.2 37,-0.1 2,-0.3 0.756 81.8 -60.2 -55.9-132.5 25.6 77.0 70.6 55 61 A Y E -IJ 91 106G 17 51,-2.2 51,-2.6 36,-0.2 2,-0.5 -0.942 33.6-128.5-128.0 147.7 27.9 79.5 68.9 56 62 A A E +IJ 90 105G 0 34,-4.3 34,-2.8 -2,-0.3 2,-0.3 -0.805 40.1 177.9 -93.1 130.9 30.5 79.3 66.2 57 63 A V E - J 0 104G 0 47,-2.4 46,-1.8 -2,-0.5 47,-1.2 -0.823 34.1-124.1-135.0 171.0 33.8 80.9 67.1 58 64 A R > - 0 0 44 30,-0.3 4,-1.5 -2,-0.3 5,-0.2 -0.963 27.7-130.4-112.8 127.8 37.4 81.7 66.2 59 65 A L T 4 S+ 0 0 42 -2,-0.5 4,-0.2 1,-0.2 -1,-0.1 0.684 106.5 62.6 -52.0 -15.6 40.1 80.5 68.6 60 66 A A T >> S+ 0 0 65 2,-0.2 3,-2.9 1,-0.2 4,-0.9 0.991 102.9 40.3 -72.9 -68.6 41.3 84.1 68.4 61 67 A D T 34>S+ 0 0 21 1,-0.3 5,-0.5 2,-0.2 -2,-0.2 0.698 111.1 62.9 -54.6 -19.6 38.4 86.1 69.8 62 68 A I T 3<5S+ 0 0 24 -4,-1.5 3,-0.3 1,-0.2 -1,-0.3 0.589 96.8 56.3 -82.3 -12.0 38.0 83.4 72.4 63 69 A A T <45S+ 0 0 82 -3,-2.9 -1,-0.2 -4,-0.2 -2,-0.2 0.730 89.6 73.2 -87.8 -27.4 41.5 84.1 73.8 64 70 A S T <5S- 0 0 63 -4,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.550 88.3-152.0 -63.6 -6.0 40.5 87.8 74.4 65 71 A G T 5 + 0 0 75 -3,-0.3 -1,-0.1 1,-0.1 -3,-0.1 0.715 57.8 115.2 37.3 27.2 38.4 86.3 77.2 66 72 A Q S - 0 0 67 0, 0.0 3,-1.2 0, 0.0 -14,-0.1 -0.346 33.8-104.0 -58.0 123.8 33.3 90.7 62.0 86 92 A A T 3 S+ 0 0 86 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.058 105.3 33.1 -47.1 149.5 36.5 89.9 63.9 87 93 A G T 3 S+ 0 0 31 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.544 103.5 96.8 79.1 6.8 36.1 89.7 67.6 88 94 A T < - 0 0 13 -3,-1.2 2,-0.3 -20,-0.2 -30,-0.3 -0.712 62.3-133.0-122.7 173.8 32.6 88.3 67.4 89 95 A C E - k 0 70G 0 -20,-1.4 -18,-1.6 -2,-0.2 -17,-0.6 -0.907 16.1-128.7-126.2 154.8 30.8 84.9 67.5 90 96 A I E -Ik 56 72G 0 -34,-2.8 -34,-4.3 -2,-0.3 2,-0.4 -0.899 17.1-128.2-109.3 131.1 28.1 83.4 65.3 91 97 A R E -Ik 55 73G 51 -19,-3.0 -17,-2.2 -2,-0.5 2,-0.4 -0.620 36.4-177.0 -74.5 126.5 24.9 81.8 66.6 92 98 A I E - k 0 74G 0 -38,-2.2 2,-0.4 -2,-0.4 -17,-0.2 -0.991 17.8-152.4-133.0 136.1 24.7 78.4 65.0 93 99 A M > - 0 0 48 -19,-1.8 3,-1.4 -2,-0.4 -43,-0.3 -0.898 42.7 -81.4-109.0 136.7 22.0 75.7 65.2 94 100 A T T 3 S+ 0 0 48 -2,-0.4 -18,-0.2 1,-0.3 -43,-0.2 0.216 116.1 20.2 -30.2 144.5 22.8 72.0 64.8 95 101 A G T 3 S+ 0 0 28 -45,-3.1 -1,-0.3 1,-0.3 -44,-0.1 0.522 97.5 129.0 67.5 1.9 23.1 70.7 61.2 96 102 A A S < S- 0 0 0 -3,-1.4 -46,-2.8 -46,-0.3 2,-0.5 -0.658 71.0 -96.0 -90.1 148.5 23.7 74.3 60.2 97 103 A P B -G 49 0F 18 0, 0.0 -48,-0.3 0, 0.0 -17,-0.2 -0.487 37.0-124.8 -67.5 110.3 26.7 75.2 58.0 98 104 A V - 0 0 26 -50,-0.9 -18,-0.1 -2,-0.5 3,-0.1 -0.216 36.0-106.2 -51.5 140.9 29.6 76.4 60.0 99 105 A P > - 0 0 8 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.322 46.7 -77.9 -71.4 156.7 30.7 79.8 58.8 100 106 A E T 3 S+ 0 0 184 -20,-0.3 3,-0.1 1,-0.3 -16,-0.1 -0.282 120.5 18.6 -55.8 131.2 33.9 80.2 56.7 101 107 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.401 83.6 155.2 88.6 -2.7 36.9 80.1 59.0 102 108 A C < + 0 0 15 -3,-2.4 -1,-0.3 1,-0.2 -44,-0.2 -0.402 18.3 178.1 -62.9 126.4 35.0 78.5 61.9 103 109 A E - 0 0 91 -46,-1.8 24,-3.7 1,-0.3 2,-0.3 0.610 62.4 -1.8-102.4 -17.0 37.5 76.7 64.1 104 110 A A E -J 57 0G 0 -47,-1.2 -47,-2.4 22,-0.2 2,-0.4 -0.992 52.8-137.4-166.0 168.4 35.0 75.5 66.8 105 111 A V E -J 56 0G 0 23,-1.6 2,-0.5 -2,-0.3 -49,-0.2 -1.000 16.2-157.4-137.3 130.9 31.5 75.4 68.1 106 112 A V E -J 55 0G 0 -51,-2.6 -51,-2.2 -2,-0.4 2,-0.2 -0.946 25.8-115.0-115.7 130.1 30.5 75.8 71.8 107 113 A M > - 0 0 45 -2,-0.5 3,-2.7 -53,-0.3 4,-0.0 -0.419 21.7-134.5 -60.8 121.0 27.2 74.5 73.3 108 114 A Q G > S+ 0 0 63 1,-0.3 3,-2.7 -2,-0.2 -1,-0.2 0.818 103.0 75.5 -46.8 -32.7 25.2 77.6 74.4 109 115 A E G 3 S+ 0 0 159 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.474 96.7 49.3 -60.3 1.0 24.5 75.6 77.6 110 116 A Q G < S+ 0 0 69 -3,-2.7 11,-1.0 1,-0.1 2,-0.4 0.106 102.2 69.8-126.8 18.9 28.1 76.5 78.4 111 117 A T < - 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