==== 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 2NQN . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.NICOLAS,S.XIANG,H.SCHINDELIN,K.V.RAJAGOPALAN . 810 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 532 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 17.7 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 . 60 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 8.4 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 . 12 1.5 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 2 2 2 0 1 3 2 4 0 0 2 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 4 5 7 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 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 6 A G 0 0 40 0, 0.0 2,-0.4 0, 0.0 339,-0.1 0.000 360.0 360.0 360.0-141.9 23.9 9.3 64.0 2 7 A L + 0 0 130 337,-0.3 269,-0.2 270,-0.1 2,-0.1 -0.943 360.0 52.1 128.6-100.8 27.1 9.1 61.8 3 8 A M B S-a 271 0A 48 267,-1.5 269,-3.1 -2,-0.4 2,-0.2 -0.437 83.0-125.9 -69.3 138.2 27.7 12.2 59.6 4 9 A S > - 0 0 32 267,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.545 14.0-120.1 -85.8 151.7 27.6 15.5 61.6 5 10 A L H > S+ 0 0 15 267,-0.3 4,-3.2 1,-0.2 5,-0.2 0.913 115.8 54.5 -52.7 -45.9 25.4 18.5 60.7 6 11 A D H > S+ 0 0 121 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 108.8 47.3 -55.2 -46.1 28.5 20.6 60.2 7 12 A T H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.953 114.2 45.7 -63.1 -51.3 30.0 18.1 57.7 8 13 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.929 114.3 49.2 -58.2 -47.2 26.8 17.7 55.7 9 14 A L H X S+ 0 0 37 -4,-3.2 4,-2.8 -5,-0.2 5,-0.3 0.951 112.9 46.5 -57.9 -50.9 26.3 21.5 55.7 10 15 A N H X S+ 0 0 110 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.873 112.2 51.7 -60.1 -38.6 29.9 22.1 54.6 11 16 A E H X S+ 0 0 86 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.926 112.5 45.4 -64.0 -46.0 29.6 19.4 51.9 12 17 A M H >X S+ 0 0 0 -4,-2.8 3,-0.9 1,-0.2 4,-0.8 0.960 116.0 43.7 -63.0 -54.1 26.4 21.0 50.5 13 18 A L H >< S+ 0 0 46 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.854 105.5 60.9 -63.1 -38.3 27.6 24.6 50.5 14 19 A S H 3< S+ 0 0 82 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.733 107.5 46.8 -63.5 -20.3 31.0 23.8 49.1 15 20 A R H << S+ 0 0 96 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 0.647 95.4 93.7 -94.7 -16.5 29.4 22.4 45.9 16 21 A V << - 0 0 5 -4,-0.8 -4,-0.0 -3,-0.7 -3,-0.0 -0.584 58.3-156.1 -85.6 138.5 26.9 25.2 45.4 17 22 A T - 0 0 107 -2,-0.3 -3,-0.0 297,-0.0 -2,-0.0 -0.949 25.5-116.3-113.2 122.6 27.6 28.2 43.2 18 23 A P - 0 0 53 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.222 34.3-106.4 -57.0 143.6 25.7 31.5 43.9 19 24 A L - 0 0 24 295,-2.8 151,-0.1 294,-0.1 154,-0.0 -0.271 31.9-176.5 -65.4 156.8 23.3 32.7 41.1 20 25 A T + 0 0 115 2,-0.0 -1,-0.1 150,-0.0 295,-0.0 0.486 42.3 115.9-132.9 -14.6 24.4 35.7 39.0 21 26 A A - 0 0 49 149,-0.1 150,-2.6 150,-0.1 2,-0.3 -0.356 50.6-169.4 -57.9 137.3 21.5 36.4 36.7 22 27 A Q E -B 170 0B 103 148,-0.3 2,-0.3 146,-0.0 148,-0.2 -0.874 23.4-166.9-134.7 165.1 20.2 39.8 37.6 23 28 A E E -B 169 0B 79 146,-2.4 146,-3.3 -2,-0.3 2,-0.6 -0.970 24.6-122.4-144.7 154.7 17.3 42.2 37.1 24 29 A T E +B 168 0B 72 -2,-0.3 -2,-0.0 144,-0.3 146,-0.0 -0.898 34.5 176.9-107.7 124.9 16.9 45.9 37.9 25 30 A L E -B 167 0B 21 142,-2.1 142,-1.9 -2,-0.6 5,-0.1 -0.916 35.2-101.2-129.5 154.0 14.0 47.0 40.1 26 31 A P E > -B 166 0B 52 0, 0.0 3,-1.8 0, 0.0 140,-0.3 -0.357 45.1-109.4 -64.4 151.3 12.6 50.1 41.8 27 32 A L G > S+ 0 0 9 138,-1.7 3,-2.4 1,-0.3 4,-0.2 0.857 113.8 64.1 -52.2 -44.0 13.6 50.4 45.4 28 33 A V G 3 S+ 0 0 49 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.665 104.1 49.2 -58.8 -15.3 10.1 49.7 46.8 29 34 A Q G < S+ 0 0 115 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.311 93.1 81.4-105.0 7.3 10.2 46.2 45.2 30 35 A C X + 0 0 0 -3,-2.4 3,-2.2 -4,-0.1 121,-0.3 0.370 50.2 133.0 -97.4 4.5 13.6 45.3 46.7 31 36 A F T 3 S+ 0 0 28 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.372 85.4 4.7 -60.6 127.7 12.9 44.2 50.2 32 37 A G T 3 S+ 0 0 22 119,-3.3 -1,-0.3 1,-0.3 2,-0.1 0.332 102.3 130.0 82.2 -7.1 14.7 41.0 51.0 33 38 A R < - 0 0 30 -3,-2.2 118,-2.9 118,-0.2 2,-0.5 -0.447 59.8-117.6 -81.7 155.0 16.4 41.0 47.6 34 39 A I B -D 150 0C 10 136,-0.4 136,-2.4 116,-0.2 116,-0.2 -0.821 25.3-119.1 -97.9 121.7 20.2 40.6 47.1 35 40 A L B -C 169 0B 1 114,-2.4 113,-2.9 -2,-0.5 134,-0.3 -0.354 20.3-162.1 -57.1 127.7 22.2 43.5 45.6 36 41 A A S S+ 0 0 19 132,-2.9 2,-0.3 111,-0.2 133,-0.2 0.761 72.3 21.8 -85.6 -27.8 23.9 42.2 42.4 37 42 A S S S- 0 0 48 131,-0.7 -1,-0.2 109,-0.1 111,-0.1 -0.963 95.0 -86.6-138.2 155.2 26.5 45.0 42.2 38 43 A D - 0 0 85 -2,-0.3 2,-0.6 109,-0.1 -2,-0.1 -0.229 39.4-127.4 -57.1 147.0 28.1 47.4 44.7 39 44 A V E -E 145 0D 8 106,-3.1 105,-3.0 128,-0.1 106,-1.0 -0.907 26.6-165.6-100.2 120.9 26.1 50.6 45.2 40 45 A V E -E 143 0D 67 -2,-0.6 103,-0.2 103,-0.3 100,-0.1 -0.942 22.8-117.3-111.9 125.2 28.5 53.6 44.7 41 46 A S - 0 0 1 101,-2.7 100,-3.5 -2,-0.5 101,-0.3 -0.413 17.8-163.1 -65.6 125.5 27.4 57.0 45.9 42 47 A P S S+ 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.543 72.2 33.2 -83.5 -9.0 27.1 59.5 43.1 43 48 A L S S- 0 0 50 96,-0.1 2,-0.2 2,-0.0 98,-0.1 -0.921 85.5 -96.5-143.8 167.6 27.1 62.5 45.5 44 49 A D - 0 0 38 -2,-0.3 3,-0.3 95,-0.2 95,-0.2 -0.592 32.8-133.7 -84.6 148.1 28.6 63.8 48.7 45 50 A V B S+F 138 0E 39 93,-3.1 93,-3.4 1,-0.5 92,-0.6 -0.916 100.5 18.9-143.8 106.3 26.6 63.5 52.0 46 51 A P S S- 0 0 24 0, 0.0 89,-2.3 0, 0.0 -1,-0.5 0.713 87.1-151.2 -77.7 158.0 26.8 66.2 53.5 47 52 A G S S+ 0 0 31 -3,-0.3 2,-0.3 87,-0.2 87,-0.1 0.409 73.7 16.7 -78.5 4.5 27.8 68.2 50.4 48 53 A F S S- 0 0 101 85,-0.1 2,-0.1 84,-0.1 87,-0.1 -0.991 93.7 -74.5-166.7 163.8 29.7 70.7 52.6 49 54 A D + 0 0 47 -2,-0.3 50,-1.0 84,-0.1 2,-0.3 -0.464 57.6 173.5 -65.8 134.7 31.2 71.4 56.0 50 55 A N E -GH 98 132F 15 82,-2.4 82,-3.7 48,-0.3 2,-0.2 -0.945 33.6 -81.9-143.1 163.4 28.4 72.1 58.5 51 56 A S E - H 0 131F 0 46,-2.7 45,-2.6 43,-0.4 80,-0.2 -0.417 19.8-147.3 -71.7 136.5 27.9 72.7 62.3 52 57 A A S S- 0 0 16 78,-3.2 2,-0.3 43,-0.2 79,-0.1 0.422 80.1 -18.1 -79.8 1.5 27.7 69.8 64.8 53 58 A M S S- 0 0 50 77,-0.3 -1,-0.1 44,-0.1 43,-0.1 -0.940 89.7 -58.8 172.6 170.2 25.3 71.8 66.9 54 59 A D S S+ 0 0 67 -2,-0.3 55,-1.5 40,-0.2 2,-0.3 -0.451 85.5 85.8 -68.5 142.0 23.8 75.3 67.7 55 60 A G E S-IJ 93 108G 0 38,-2.6 38,-2.3 53,-0.3 2,-0.4 -0.915 76.0 -48.2 166.7-137.8 26.5 77.7 68.8 56 61 A Y E -IJ 92 107G 13 51,-2.0 51,-2.6 -2,-0.3 2,-0.4 -0.994 32.1-133.6-139.3 143.0 29.0 80.0 67.1 57 62 A A E +IJ 91 106G 0 34,-3.4 34,-2.4 -2,-0.4 2,-0.2 -0.757 42.1 155.3 -90.3 135.5 31.5 79.8 64.3 58 63 A V E - J 0 105G 2 47,-2.4 46,-2.2 -2,-0.4 47,-1.5 -0.831 37.7-125.5-147.9-176.1 34.9 81.3 65.2 59 64 A R > - 0 0 44 -2,-0.2 4,-1.2 45,-0.2 5,-0.2 -0.985 33.3-114.4-138.2 140.4 38.7 81.4 64.5 60 65 A L H >> S+ 0 0 99 -2,-0.3 4,-3.0 1,-0.2 3,-1.2 0.879 111.1 67.3 -40.8 -48.7 41.4 80.8 67.1 61 66 A A H >> S+ 0 0 59 1,-0.3 3,-1.3 2,-0.2 4,-1.3 0.899 102.9 38.7 -35.9 -79.1 42.5 84.5 66.5 62 67 A D H 34>S+ 0 0 10 1,-0.3 5,-0.5 2,-0.2 4,-0.5 0.661 121.0 48.6 -52.2 -18.7 39.4 86.2 68.0 63 68 A I H <<5S+ 0 0 26 -4,-1.2 -1,-0.3 -3,-1.2 -2,-0.2 0.736 100.3 63.0 -93.6 -26.3 39.3 83.6 70.7 64 69 A A H <<5S+ 0 0 69 -4,-3.0 -2,-0.2 -3,-1.3 -3,-0.2 0.797 95.0 64.0 -67.1 -28.8 43.0 83.8 71.6 65 70 A S T <5S- 0 0 80 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.924 97.1-139.5 -61.2 -45.5 42.3 87.4 72.6 66 71 A G T 5 + 0 0 69 -4,-0.5 -3,-0.1 1,-0.4 -2,-0.1 0.691 59.8 124.3 89.4 21.5 40.0 86.4 75.5 67 72 A Q S - 0 0 58 0, 0.0 3,-2.5 0, 0.0 2,-0.3 0.098 23.3-116.9 -29.5 124.8 34.8 91.3 60.6 87 92 A A T 3 S+ 0 0 97 1,-0.3 -25,-0.1 -26,-0.0 -3,-0.0 0.329 111.2 45.3 -54.7 10.6 38.2 90.2 61.8 88 93 A G T 3 S+ 0 0 31 -2,-0.3 -1,-0.3 -18,-0.1 2,-0.1 0.329 99.6 75.1-137.4 7.4 37.1 90.4 65.4 89 94 A T < - 0 0 15 -3,-2.5 2,-0.3 -20,-0.2 -18,-0.2 -0.413 60.8-132.9-112.7-172.1 33.6 88.8 65.5 90 95 A C E - k 0 71G 0 -20,-1.3 -18,-2.3 -2,-0.1 -17,-0.7 -0.904 19.6-121.4-137.0 162.4 32.0 85.4 65.5 91 96 A I E -Ik 57 73G 0 -34,-2.4 -34,-3.4 -2,-0.3 -17,-0.2 -0.924 17.5-127.2-115.2 134.7 29.0 83.9 63.6 92 97 A R E -Ik 56 74G 61 -19,-3.7 -17,-2.0 -2,-0.4 2,-0.3 -0.508 38.8-178.6 -71.6 144.6 25.8 82.4 65.1 93 98 A I E -Ik 55 75G 0 -38,-2.3 -38,-2.6 -19,-0.2 2,-0.4 -0.999 20.5-140.2-151.6 147.3 25.3 79.0 63.6 94 99 A M > - 0 0 57 -19,-1.9 3,-3.5 -2,-0.3 -43,-0.4 -0.865 41.4 -84.3-113.0 144.0 22.8 76.1 63.8 95 100 A W T 3 S+ 0 0 102 -2,-0.4 -43,-0.2 1,-0.3 -41,-0.1 -0.138 119.8 15.7 -42.2 115.0 23.3 72.3 63.8 96 101 A G T 3 S+ 0 0 25 -45,-2.6 -1,-0.3 1,-0.4 -44,-0.1 0.277 95.7 129.8 98.9 -10.2 23.6 71.3 60.2 97 102 A A < - 0 0 0 -3,-3.5 -46,-2.7 -22,-0.2 2,-0.4 -0.508 68.3 -96.4 -79.4 146.6 24.2 74.8 58.9 98 103 A P B -G 50 0F 21 0, 0.0 -17,-0.5 0, 0.0 -48,-0.3 -0.465 37.1-125.6 -65.9 118.1 27.2 75.5 56.5 99 104 A V - 0 0 29 -50,-1.0 -50,-0.1 -2,-0.4 2,-0.1 -0.299 31.8-109.2 -61.3 147.4 30.3 76.8 58.3 100 105 A P > - 0 0 11 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.421 43.4 -79.0 -80.3 156.0 31.6 80.1 56.9 101 106 A E T 3 S+ 0 0 181 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.207 118.9 19.9 -52.9 136.9 34.8 80.4 54.9 102 107 A G T 3 S+ 0 0 30 1,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.640 86.0 153.4 76.6 13.7 37.9 80.5 57.2 103 108 A C < - 0 0 17 -3,-1.6 -1,-0.3 1,-0.2 -44,-0.2 -0.662 21.4-179.8 -80.0 125.7 35.9 79.0 60.1 104 109 A E - 0 0 85 -46,-2.2 24,-3.5 -2,-0.5 2,-0.3 0.750 61.1 -3.8 -95.9 -29.3 38.3 77.1 62.4 105 110 A A E -J 58 0G 2 -47,-1.5 -47,-2.4 22,-0.2 2,-0.4 -0.996 54.3-131.4-162.0 158.6 35.8 75.8 65.0 106 111 A V E -J 57 0G 0 23,-2.9 2,-0.5 -2,-0.3 -49,-0.2 -0.914 21.7-153.9-113.9 142.1 32.2 75.8 66.2 107 112 A V E -J 56 0G 1 -51,-2.6 -51,-2.0 -2,-0.4 18,-0.0 -0.970 21.3-117.1-122.4 124.3 31.4 76.4 69.8 108 113 A M E > -J 55 0G 53 -2,-0.5 3,-2.9 -53,-0.2 -53,-0.3 -0.324 25.7-123.9 -56.3 131.0 28.3 75.1 71.6 109 114 A Q G > S+ 0 0 72 -55,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.672 108.2 69.6 -51.1 -17.3 26.1 78.0 72.7 110 115 A E G 3 S+ 0 0 107 -56,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.625 92.0 56.2 -79.1 -14.8 26.3 76.5 76.2 111 116 A Q G < S+ 0 0 65 -3,-2.9 11,-1.4 11,-0.1 2,-0.3 -0.059 100.5 73.3-106.4 30.6 30.0 77.4 76.5 112 117 A T E < -M 121 0H 2 -3,-0.9 2,-0.5 9,-0.3 9,-0.2 -0.997 63.0-155.0-144.7 137.8 29.4 81.1 75.8 113 118 A E E -M 120 0H 112 7,-2.0 7,-1.9 -2,-0.3 2,-0.2 -0.963 25.0-124.5-118.9 119.9 27.9 83.8 78.0 114 119 A Q E -M 119 0H 89 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.434 22.6-164.1 -61.7 123.9 26.4 86.8 76.2 115 120 A M - 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