==== 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 2NQV . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS PROTEIN MOEA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.NCIOLAS,S.XIANG,H.SCHINDELIN,K.V.RAJAGOPALAN . 808 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 63.0 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 . 140 17.3 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 . 5 0.6 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 . 53 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 1 2 0 0 2 1 3 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 2 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 . 11 4 2 9 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 4 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 0 185 0, 0.0 2,-0.2 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 -37.5 26.5 8.5 62.7 2 8 A M B -a 270 0A 57 267,-2.1 269,-2.9 274,-0.1 2,-0.3 -0.540 360.0-123.9 -76.9 140.5 27.0 11.7 60.6 3 9 A S > - 0 0 27 267,-0.2 4,-2.3 -2,-0.2 5,-0.3 -0.616 11.2-126.1 -92.2 138.0 27.1 15.0 62.4 4 10 A L H > S+ 0 0 19 -2,-0.3 4,-2.6 267,-0.3 5,-0.2 0.848 114.7 51.0 -40.9 -44.0 24.9 18.0 61.6 5 11 A D H > S+ 0 0 108 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.959 107.5 49.6 -61.0 -55.7 28.0 20.0 61.2 6 12 A T H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.838 116.7 44.0 -52.5 -39.0 29.7 17.6 58.8 7 13 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.870 110.3 53.0 -76.4 -44.5 26.5 17.5 56.7 8 14 A L H X S+ 0 0 38 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.955 115.3 41.9 -54.4 -52.4 25.9 21.3 56.8 9 15 A N H X S+ 0 0 103 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.860 111.5 55.9 -64.2 -35.8 29.5 21.8 55.5 10 16 A E H X S+ 0 0 83 -4,-1.5 4,-0.6 -5,-0.3 -1,-0.2 0.891 112.7 42.6 -64.5 -36.5 29.1 19.0 53.0 11 17 A M H >< S+ 0 0 1 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.990 116.6 43.0 -73.9 -60.4 26.0 20.6 51.5 12 18 A L H >< S+ 0 0 37 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.719 101.4 70.2 -60.1 -28.3 27.2 24.3 51.4 13 19 A S H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.841 104.9 40.2 -58.8 -35.1 30.7 23.4 50.1 14 20 A R T << S+ 0 0 110 -3,-1.2 2,-0.4 -4,-0.6 -1,-0.2 0.460 91.5 104.7 -94.5 -6.2 29.3 22.4 46.7 15 21 A V < - 0 0 5 -3,-0.7 -4,-0.0 -4,-0.4 -3,-0.0 -0.669 53.2-161.3 -84.2 128.7 26.7 25.2 46.3 16 22 A T - 0 0 114 -2,-0.4 -2,-0.0 297,-0.0 -3,-0.0 -0.953 28.2-115.6-107.6 115.9 27.6 27.9 43.9 17 23 A P - 0 0 52 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.167 30.9-103.2 -53.1 140.7 25.5 31.1 44.6 18 24 A L - 0 0 24 295,-2.3 151,-0.1 1,-0.1 154,-0.0 -0.155 34.2-179.5 -53.8 156.1 23.1 32.3 41.9 19 25 A T + 0 0 109 149,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.333 39.1 118.4-148.3 -8.7 24.1 35.3 39.9 20 26 A A - 0 0 47 150,-0.1 150,-2.1 149,-0.0 2,-0.3 -0.462 50.7-165.3 -55.4 144.4 21.2 36.0 37.5 21 27 A Q E -B 169 0B 113 148,-0.3 2,-0.3 -2,-0.1 148,-0.2 -0.982 25.0-174.3-145.0 147.6 20.0 39.5 38.3 22 28 A E E -B 168 0B 75 146,-2.3 146,-2.9 -2,-0.3 2,-0.5 -0.885 24.0-128.5-133.2 166.3 17.1 41.9 37.8 23 29 A T E +B 167 0B 71 -2,-0.3 -2,-0.0 144,-0.2 146,-0.0 -0.951 31.9 169.3-130.7 115.1 16.7 45.5 38.8 24 30 A L E -B 166 0B 14 142,-1.5 142,-2.1 -2,-0.5 5,-0.0 -0.888 40.0 -89.0-130.0 154.0 13.7 46.6 40.7 25 31 A P E > -B 165 0B 48 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.237 47.1-107.0 -59.2 151.1 12.6 49.7 42.6 26 32 A L G > S+ 0 0 9 138,-1.3 3,-2.2 1,-0.3 4,-0.1 0.793 115.1 64.6 -58.7 -37.9 13.5 49.8 46.3 27 33 A V G 3 S+ 0 0 43 1,-0.3 3,-0.4 137,-0.2 -1,-0.3 0.757 105.3 46.7 -56.8 -27.2 10.1 49.2 47.6 28 34 A Q G < S+ 0 0 115 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.413 95.6 82.2 -86.5 -1.9 10.2 45.7 45.9 29 35 A C X + 0 0 0 -3,-2.2 3,-2.0 -4,-0.3 2,-0.4 0.352 52.8 138.3 -94.9 12.5 13.6 45.0 47.3 30 36 A F T 3 S- 0 0 29 -3,-0.4 121,-0.2 1,-0.3 3,-0.1 -0.396 82.9 -4.8 -66.5 120.4 12.9 43.8 50.8 31 37 A G T 3 S+ 0 0 19 119,-3.6 2,-0.4 -2,-0.4 -1,-0.3 0.530 100.9 136.0 83.3 7.2 15.0 40.8 51.8 32 38 A R < - 0 0 25 -3,-2.0 118,-2.1 118,-0.2 -1,-0.3 -0.715 58.1-118.2 -90.4 144.1 16.4 40.7 48.4 33 39 A I B -D 149 0C 9 -2,-0.4 136,-0.8 116,-0.2 2,-0.2 -0.485 29.9-114.1 -79.2 146.2 20.1 40.2 48.0 34 40 A L B -C 168 0B 1 114,-1.2 113,-1.4 134,-0.2 134,-0.3 -0.562 15.9-153.9 -82.4 141.7 22.0 42.9 46.3 35 41 A A S S+ 0 0 15 132,-3.1 2,-0.3 1,-0.2 133,-0.2 0.900 73.4 5.1 -77.6 -45.5 23.6 42.1 42.9 36 42 A S S S- 0 0 51 131,-0.7 -1,-0.2 109,-0.1 111,-0.1 -0.977 92.9 -73.3-144.8 152.6 26.4 44.7 42.9 37 43 A D - 0 0 87 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 -0.042 46.4-126.1 -44.1 141.6 28.0 47.2 45.3 38 44 A V E -E 144 0D 10 106,-2.2 105,-2.2 128,-0.0 106,-0.8 -0.877 25.0-153.7 -93.2 128.2 25.9 50.4 45.7 39 45 A V E -E 142 0D 84 -2,-0.5 103,-0.2 103,-0.2 102,-0.1 -0.891 16.3-119.6-115.9 123.0 28.0 53.5 44.9 40 46 A S - 0 0 2 101,-2.1 100,-2.6 -2,-0.5 101,-0.2 -0.395 18.2-166.4 -73.1 122.0 27.1 56.8 46.5 41 47 A P S S+ 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.649 72.1 34.5 -76.4 -15.0 26.3 59.4 43.9 42 48 A L S S- 0 0 49 96,-0.1 2,-0.2 2,-0.0 4,-0.0 -0.981 83.1-104.9-146.2 153.4 26.6 62.3 46.6 43 49 A D - 0 0 42 -2,-0.3 95,-0.2 3,-0.1 90,-0.1 -0.533 37.5-135.3 -75.5 138.4 28.4 63.3 49.6 44 50 A V B S+F 137 0E 43 93,-3.0 93,-3.2 1,-0.3 92,-0.6 -0.898 100.2 35.0-144.8 103.6 26.4 63.0 52.8 45 51 A P S S- 0 0 19 0, 0.0 89,-2.0 0, 0.0 -1,-0.3 0.454 90.3-153.0 -66.3 155.3 26.7 65.4 54.4 46 52 A G S S+ 0 0 31 87,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.549 72.7 4.4 -77.7 -9.3 26.9 67.6 51.4 47 53 A F S S- 0 0 113 84,-0.1 -1,-0.1 85,-0.1 87,-0.1 -0.950 96.4 -72.1-172.3 151.2 28.9 70.4 53.1 48 54 A D + 0 0 53 -2,-0.3 50,-1.6 85,-0.1 2,-0.3 -0.300 60.9 177.3 -62.1 139.6 30.6 71.0 56.5 49 55 A N E -GH 97 131F 15 82,-3.3 82,-1.4 48,-0.3 2,-0.1 -0.952 31.6 -75.4-153.7 158.9 28.0 71.6 59.2 50 56 A S E - H 0 130F 0 46,-3.7 45,-2.6 -2,-0.3 80,-0.2 -0.321 24.1-158.8 -72.9 129.7 27.5 72.3 62.9 51 57 A A S S+ 0 0 14 78,-2.4 2,-0.2 43,-0.2 -1,-0.1 0.981 78.1 4.6 -67.4 -59.1 27.8 69.4 65.4 52 58 A M S S- 0 0 72 77,-0.3 2,-0.4 42,-0.1 44,-0.1 -0.640 86.1 -95.9-110.8 172.0 25.8 71.0 68.2 53 59 A D S S+ 0 0 59 40,-0.3 55,-0.6 -2,-0.2 40,-0.3 -0.796 83.1 85.9 -86.0 140.2 23.8 74.2 68.5 54 60 A G E S-IJ 92 107G 0 38,-2.9 38,-1.0 -2,-0.4 2,-0.4 -0.715 82.5 -32.8 168.1-122.9 25.9 76.9 70.1 55 61 A Y E -IJ 91 106G 14 51,-1.9 51,-2.1 36,-0.3 2,-0.4 -0.993 38.9-139.3-145.9 127.9 28.4 79.3 68.5 56 62 A A E -IJ 90 105G 0 34,-3.9 34,-2.0 -2,-0.4 2,-0.3 -0.763 34.8-177.9 -86.8 133.0 30.8 79.1 65.6 57 63 A V E - J 0 104G 0 47,-1.7 46,-1.3 -2,-0.4 47,-1.2 -0.910 32.8-126.6-136.7 150.2 34.2 80.7 66.3 58 64 A R - 0 0 56 -2,-0.3 3,-0.3 3,-0.2 44,-0.1 -0.832 28.1-132.3 -87.2 139.4 37.6 81.6 64.8 59 65 A L S S+ 0 0 48 -2,-0.4 4,-0.4 1,-0.2 3,-0.2 0.727 101.8 73.3 -65.9 -21.3 40.3 80.3 67.0 60 66 A A S > S+ 0 0 78 1,-0.2 2,-1.3 2,-0.1 4,-0.6 0.981 95.5 49.8 -51.4 -61.1 41.9 83.8 66.8 61 67 A D T 4 S+ 0 0 19 -3,-0.3 -1,-0.2 1,-0.2 -3,-0.2 -0.662 90.8 79.3 -87.4 88.9 39.3 85.3 69.2 62 68 A I T >4 S+ 0 0 31 -2,-1.3 3,-0.6 -3,-0.2 58,-0.2 0.278 102.6 25.3-148.9 -64.3 39.3 82.8 72.1 63 69 A A T 34 S+ 0 0 84 -4,-0.4 -2,-0.1 -3,-0.4 -3,-0.1 0.511 96.1 95.3 -85.0 -13.2 42.3 83.5 74.5 64 70 A S T 3< S- 0 0 83 -4,-0.6 2,-0.8 1,-0.2 -1,-0.2 0.791 88.1-154.5 -35.8 -32.7 41.9 86.9 72.9 65 71 A G < + 0 0 58 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.049 54.9 110.7 82.5 -28.5 40.1 86.7 76.2 66 72 A Q S S- 0 0 154 -2,-0.8 -1,-0.2 1,-0.1 -2,-0.1 -0.563 78.9-104.5 -71.7 145.2 37.5 89.5 75.6 67 73 A P - 0 0 47 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.343 31.3-129.1 -70.1 156.6 34.0 88.0 75.2 68 74 A L B -L 118 0H 4 50,-2.8 50,-2.7 20,-0.1 2,-0.3 -0.930 13.0-141.1-114.6 130.2 32.6 87.7 71.7 69 75 A P - 0 0 51 0, 0.0 2,-0.8 0, 0.0 20,-0.2 -0.736 29.9-103.3 -92.3 138.8 29.1 89.0 70.7 70 76 A V + 0 0 75 -2,-0.3 20,-0.2 1,-0.2 3,-0.1 -0.420 42.3 172.8 -62.1 101.2 26.7 87.1 68.3 71 77 A A - 0 0 53 18,-1.8 2,-0.2 -2,-0.8 -1,-0.2 0.893 60.9 -20.6 -72.0 -42.2 27.1 89.1 65.0 72 78 A G E -k 90 0G 12 17,-0.5 19,-1.3 2,-0.0 2,-0.3 -0.770 58.9-127.9-156.2-165.4 25.0 86.6 62.9 73 79 A K E -k 91 0G 92 -2,-0.2 2,-0.4 17,-0.2 19,-0.2 -0.997 6.5-161.1-165.8 147.7 23.6 83.1 62.4 74 80 A S E +k 92 0G 1 17,-0.9 19,-1.5 -2,-0.3 22,-0.2 -0.998 21.8 163.0-136.6 130.0 23.1 80.0 60.1 75 81 A F - 0 0 57 3,-0.9 5,-0.0 4,-0.4 18,-0.0 0.060 49.0 -33.9-118.5-133.3 20.4 77.3 60.6 76 82 A A S S- 0 0 78 20,-0.2 -1,-0.1 1,-0.1 17,-0.0 0.747 118.9 -16.4 -66.8-124.7 18.9 74.5 58.4 77 83 A G S S+ 0 0 51 522,-0.2 522,-0.3 19,-0.1 -1,-0.1 0.335 122.3 88.6 -67.9 7.4 18.5 75.0 54.6 78 84 A Q - 0 0 93 520,-0.1 -3,-0.9 521,-0.1 2,-0.0 -0.953 69.1-165.8 -96.4 125.2 19.0 78.7 55.3 79 85 A P - 0 0 67 0, 0.0 -4,-0.4 0, 0.0 2,-0.3 0.028 16.7-108.7 -90.5-160.7 22.8 79.4 55.2 80 86 A Y + 0 0 46 -6,-0.2 20,-0.3 18,-0.2 2,-0.3 -0.992 38.8 158.7-132.8 139.0 24.8 82.5 56.4 81 87 A H + 0 0 148 -2,-0.3 -8,-0.1 -8,-0.2 0, 0.0 -0.906 28.8 93.8-144.4 177.2 26.6 85.2 54.3 82 88 A G S S- 0 0 46 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.870 92.7 -73.4 96.1 66.3 27.9 88.7 54.5 83 89 A E - 0 0 181 1,-0.2 -2,-0.1 2,-0.0 0, 0.0 0.694 59.0 -97.9 18.9 120.3 31.6 88.5 55.4 84 90 A W - 0 0 29 16,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.375 33.5-124.5 -71.6 115.8 32.3 87.5 59.0 85 91 A P > - 0 0 53 0, 0.0 3,-1.6 0, 0.0 -14,-0.1 -0.435 31.7-117.1 -59.9 119.3 33.0 90.6 61.3 86 92 A A T 3 S+ 0 0 85 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 -0.221 97.3 32.3 -55.4 146.4 36.4 89.9 63.0 87 93 A G T 3 S+ 0 0 34 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.125 99.0 99.7 94.4 -19.6 36.1 89.6 66.8 88 94 A T < - 0 0 18 -3,-1.6 -1,-0.2 -20,-0.2 -30,-0.2 -0.790 59.9-139.7-108.2 144.4 32.6 88.1 66.9 89 95 A C - 0 0 0 -2,-0.3 -18,-1.8 -20,-0.2 -17,-0.5 -0.444 21.9-130.1 -84.4 168.2 31.2 84.6 67.4 90 96 A I E -Ik 56 72G 0 -34,-2.0 -34,-3.9 -20,-0.2 2,-0.6 -0.982 10.8-128.5-131.2 117.6 28.2 83.3 65.3 91 97 A R E +Ik 55 73G 54 -19,-1.3 -17,-0.9 -2,-0.4 2,-0.3 -0.572 42.2 171.7 -63.0 109.9 25.1 81.6 66.8 92 98 A I E -Ik 54 74G 0 -38,-1.0 -38,-2.9 -2,-0.6 2,-0.4 -0.891 20.8-139.4-122.3 154.0 24.9 78.5 64.7 93 99 A M > - 0 0 58 -19,-1.5 3,-2.5 -2,-0.3 -40,-0.3 -0.972 32.6 -82.2-130.4 135.7 22.7 75.5 65.2 94 100 A T T 3 S+ 0 0 69 -2,-0.4 -43,-0.2 1,-0.3 -42,-0.1 0.219 116.9 19.0 -29.6 129.7 23.2 71.7 64.9 95 101 A G T 3 S+ 0 0 37 -45,-2.6 -1,-0.3 1,-0.3 -44,-0.1 0.055 98.4 126.6 89.5 -22.4 22.9 70.5 61.3 96 102 A A < - 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