==== 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 2NRS . 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) . 34573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 519 64.4 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 . 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 . 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 . 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 . 61 7.6 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 . 121 15.0 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 2 1 3 0 1 3 2 4 1 1 0 0 0 0 0 0 0 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 4 4 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 . 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 0 176 0, 0.0 269,-0.2 0, 0.0 270,-0.1 0.000 360.0 360.0 360.0 -74.3 26.8 8.6 62.2 2 8 A M B -a 270 0A 58 267,-1.5 269,-2.6 1,-0.1 2,-0.3 -0.321 360.0-123.9 -61.4 141.2 27.6 11.8 60.1 3 9 A S >> - 0 0 29 267,-0.2 4,-2.1 1,-0.1 3,-0.5 -0.675 11.8-122.3 -96.0 139.8 27.6 15.1 62.0 4 10 A L H 3> S+ 0 0 16 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.858 115.2 53.2 -39.4 -51.7 25.4 18.2 61.1 5 11 A D H 3> S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.930 109.0 48.6 -49.6 -54.4 28.6 20.3 60.8 6 12 A T H <> S+ 0 0 75 -3,-0.5 4,-2.1 1,-0.2 -2,-0.2 0.938 114.8 43.5 -52.9 -54.1 30.1 17.7 58.3 7 13 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.894 111.9 52.9 -66.5 -44.5 27.0 17.6 56.1 8 14 A L H X S+ 0 0 38 -4,-3.0 4,-2.8 -5,-0.3 5,-0.3 0.968 113.0 44.8 -48.9 -55.2 26.4 21.3 56.1 9 15 A N H X S+ 0 0 95 -4,-2.6 4,-1.2 1,-0.3 -2,-0.2 0.816 111.9 51.7 -72.3 -25.3 30.0 21.9 55.0 10 16 A E H X S+ 0 0 87 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.3 0.910 114.5 44.4 -70.0 -40.6 29.8 19.2 52.4 11 17 A M H >X S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-0.8 0.991 116.2 43.6 -67.1 -57.6 26.6 20.8 51.0 12 18 A L H 3< S+ 0 0 40 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.796 106.9 61.3 -59.4 -31.0 27.7 24.4 51.0 13 19 A S H 3< S+ 0 0 84 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.854 106.1 46.8 -64.9 -32.6 31.1 23.6 49.6 14 20 A R H << S+ 0 0 100 -3,-1.1 2,-0.4 -4,-0.9 -1,-0.2 0.632 96.0 91.6 -84.0 -16.4 29.5 22.2 46.4 15 21 A V < - 0 0 3 -4,-0.8 -4,-0.0 -3,-0.4 272,-0.0 -0.714 56.8-159.6 -93.3 135.9 27.1 25.0 45.8 16 22 A T - 0 0 109 -2,-0.4 -3,-0.0 297,-0.0 -2,-0.0 -0.913 27.9-114.9-108.4 127.1 27.9 28.1 43.7 17 23 A P - 0 0 50 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.234 32.1-104.6 -62.1 150.0 25.7 31.2 44.3 18 24 A L - 0 0 26 295,-2.8 151,-0.1 294,-0.1 154,-0.0 -0.222 32.2-179.0 -64.5 161.9 23.5 32.5 41.6 19 25 A T + 0 0 109 149,-0.0 -1,-0.1 2,-0.0 295,-0.0 0.313 39.5 118.7-146.9 -6.2 24.5 35.6 39.7 20 26 A A - 0 0 45 150,-0.1 150,-1.6 1,-0.0 2,-0.3 -0.415 49.9-166.9 -59.5 149.8 21.6 36.2 37.3 21 27 A Q E -B 169 0B 109 148,-0.3 2,-0.3 -2,-0.0 148,-0.2 -0.935 25.5-170.5-143.3 162.6 20.2 39.7 38.1 22 28 A E E -B 168 0B 81 146,-2.3 146,-3.1 -2,-0.3 2,-0.5 -0.960 25.4-121.4-144.7 166.6 17.4 42.1 37.6 23 29 A T E +B 167 0B 70 -2,-0.3 -2,-0.0 144,-0.3 146,-0.0 -0.949 33.0 175.8-120.2 123.4 16.9 45.6 38.5 24 30 A L E -B 166 0B 18 142,-1.9 142,-1.7 -2,-0.5 2,-0.1 -0.860 36.0-100.7-127.0 154.2 14.0 46.7 40.7 25 31 A P E > -B 165 0B 46 0, 0.0 3,-2.5 0, 0.0 140,-0.2 -0.405 44.9-109.9 -69.5 149.9 12.7 49.8 42.3 26 32 A L G > S+ 0 0 9 138,-1.5 3,-2.9 1,-0.3 4,-0.2 0.851 114.7 64.0 -59.1 -38.4 13.6 50.0 46.0 27 33 A V G 3 S+ 0 0 45 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.709 104.4 49.3 -59.5 -19.3 10.1 49.4 47.3 28 34 A Q G < S+ 0 0 115 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.330 94.2 81.4 -96.3 11.4 10.2 45.9 45.6 29 35 A C X + 0 0 0 -3,-2.9 3,-2.4 -4,-0.2 121,-0.3 0.392 49.3 132.5-104.6 3.4 13.6 45.0 47.1 30 36 A F T 3 S+ 0 0 31 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.349 83.8 8.2 -61.1 132.0 12.9 43.8 50.6 31 37 A G T 3 S+ 0 0 24 119,-2.0 -1,-0.3 1,-0.3 2,-0.2 0.421 102.1 132.9 81.1 -1.0 14.7 40.6 51.4 32 38 A R < - 0 0 28 -3,-2.4 118,-2.7 118,-0.1 2,-0.7 -0.495 57.1-122.7 -95.1 158.3 16.6 40.8 48.1 33 39 A I B -D 149 0C 13 136,-0.4 136,-2.7 116,-0.2 116,-0.2 -0.813 24.2-125.1-103.4 110.7 20.3 40.4 47.6 34 40 A L B -C 168 0B 0 114,-2.0 113,-2.3 -2,-0.7 134,-0.3 -0.255 15.4-157.6 -51.0 133.5 22.2 43.2 46.0 35 41 A A S S+ 0 0 19 132,-2.9 2,-0.3 111,-0.2 133,-0.2 0.820 72.9 21.3 -87.8 -35.0 23.9 41.9 42.9 36 42 A S S S- 0 0 47 131,-0.7 -1,-0.1 109,-0.1 111,-0.1 -0.889 95.0 -83.0-129.6 165.1 26.6 44.7 42.8 37 43 A D - 0 0 86 -2,-0.3 2,-0.6 109,-0.1 -1,-0.1 -0.228 39.1-128.7 -60.2 150.1 28.1 47.2 45.2 38 44 A V E -E 144 0D 7 106,-2.0 105,-1.9 128,-0.1 106,-0.9 -0.941 27.1-161.1 -97.3 122.3 26.1 50.4 45.7 39 45 A V E -E 142 0D 69 -2,-0.6 103,-0.2 103,-0.2 102,-0.1 -0.898 21.2-111.5-112.8 136.0 28.4 53.3 45.2 40 46 A S - 0 0 2 101,-2.4 100,-2.3 -2,-0.4 101,-0.2 -0.438 20.2-167.2 -74.0 119.4 27.6 56.8 46.4 41 47 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.776 73.0 33.8 -71.7 -26.6 26.9 59.3 43.7 42 48 A L S S- 0 0 59 96,-0.1 2,-0.2 97,-0.0 98,-0.1 -0.817 84.0-101.8-127.8 164.3 27.2 62.3 46.2 43 49 A D - 0 0 41 -2,-0.3 95,-0.2 95,-0.2 3,-0.2 -0.545 39.4-127.2 -75.7 149.8 29.0 63.4 49.3 44 50 A V B S+F 137 0E 39 93,-2.5 93,-2.6 1,-0.4 92,-1.5 -0.902 99.4 24.5-149.2 117.6 27.1 63.2 52.6 45 51 A P S S- 0 0 22 0, 0.0 89,-2.5 0, 0.0 -1,-0.4 0.663 91.3-145.6 -70.4 162.7 27.0 65.6 54.2 46 52 A G S S+ 0 0 30 87,-0.2 2,-0.3 -2,-0.2 -3,-0.1 0.350 73.7 7.9 -81.0 2.7 27.4 67.7 51.2 47 53 A F S S- 0 0 106 84,-0.1 2,-0.1 85,-0.0 87,-0.1 -0.939 93.1 -76.5-171.4 159.6 29.4 70.5 53.0 48 54 A D + 0 0 51 -2,-0.3 50,-0.9 84,-0.1 2,-0.3 -0.452 62.2 167.9 -67.1 138.8 31.1 71.2 56.3 49 55 A N E -GH 97 131F 14 82,-2.1 82,-3.1 48,-0.3 2,-0.3 -0.937 35.7 -76.8-155.3 168.1 28.4 72.1 58.7 50 56 A S E - H 0 130F 0 46,-2.8 45,-1.9 43,-0.3 46,-0.3 -0.541 20.3-164.2 -88.5 129.7 27.7 72.7 62.4 51 57 A A S S+ 0 0 18 78,-2.0 2,-0.2 -2,-0.3 -1,-0.1 0.949 79.0 26.8 -71.5 -48.5 27.3 69.8 65.0 52 58 A M S S- 0 0 60 77,-0.4 2,-0.4 42,-0.1 54,-0.1 -0.504 85.0-107.1-104.1 174.0 25.7 72.0 67.7 53 59 A D S S+ 0 0 66 40,-0.2 55,-1.2 -2,-0.2 2,-0.3 -0.880 81.3 70.4 -96.2 137.4 23.7 75.2 67.8 54 60 A G E S-IJ 92 107G 0 38,-3.2 38,-2.8 -2,-0.4 2,-0.4 -0.834 83.3 -13.2 160.1-124.2 25.8 78.0 69.1 55 61 A Y E -IJ 91 106G 17 51,-2.4 51,-2.1 -2,-0.3 2,-0.4 -0.975 37.5-146.7-134.6 128.3 28.7 80.0 67.8 56 62 A A E +IJ 90 105G 0 34,-3.3 34,-2.1 -2,-0.4 2,-0.3 -0.742 35.4 175.0 -83.7 134.5 31.2 79.7 64.9 57 63 A V E - J 0 104G 0 47,-2.3 46,-2.0 -2,-0.4 47,-1.4 -0.967 36.7-124.5-146.1 154.6 34.6 81.1 65.7 58 64 A R > - 0 0 42 30,-0.4 4,-0.8 -2,-0.3 3,-0.3 -0.893 28.2-132.3 -96.6 127.3 38.3 81.7 64.7 59 65 A L H > S+ 0 0 49 -2,-0.5 4,-0.6 1,-0.2 3,-0.4 0.769 103.3 70.2 -49.4 -29.8 40.8 80.2 67.2 60 66 A A H >4 S+ 0 0 73 1,-0.2 3,-2.0 2,-0.2 4,-0.4 0.978 97.5 44.3 -43.3 -74.6 42.5 83.6 66.8 61 67 A D H 34 S+ 0 0 11 -3,-0.3 3,-0.5 1,-0.3 5,-0.5 0.550 97.1 75.5 -59.6 -13.5 39.8 85.7 68.7 62 68 A I H >< S+ 0 0 23 -4,-0.8 3,-0.8 -3,-0.4 -1,-0.3 0.774 91.4 55.8 -70.6 -25.5 39.4 83.2 71.5 63 69 A A T << S+ 0 0 91 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.599 88.6 75.3 -79.5 -16.5 42.8 84.3 73.0 64 70 A S T 3 S- 0 0 72 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.700 85.0-159.3 -56.5 -23.6 41.4 87.9 73.1 65 71 A G < + 0 0 71 -3,-0.8 -3,-0.1 -4,-0.2 -2,-0.1 0.679 54.0 116.8 47.9 19.3 39.5 86.4 76.1 66 72 A Q S S- 0 0 118 -5,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.873 81.1 -81.2-117.3 143.5 37.2 89.3 75.4 67 73 A P - 0 0 42 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.034 40.0-147.6 -36.5 139.6 33.6 89.2 74.3 68 74 A L B -L 118 0H 0 50,-1.4 50,-2.0 -3,-0.1 20,-0.2 -0.994 14.5-137.9-113.8 124.9 33.2 88.6 70.6 69 75 A P - 0 0 62 0, 0.0 20,-1.8 0, 0.0 2,-1.0 -0.577 25.4-101.2 -82.7 151.9 30.1 90.3 69.1 70 76 A V E +k 89 0G 84 18,-0.2 20,-0.2 -2,-0.2 3,-0.1 -0.570 35.7 179.8 -77.7 99.3 27.8 88.5 66.5 71 77 A A E - 0 0 39 -2,-1.0 2,-0.2 18,-0.9 -1,-0.2 0.858 63.9 -36.2 -65.0 -33.9 28.7 89.8 63.1 72 78 A G E -k 90 0G 18 17,-0.5 19,-2.0 10,-0.0 2,-0.3 -0.864 59.0-102.3-167.0-163.9 26.1 87.5 61.4 73 79 A K E -k 91 0G 88 -2,-0.2 2,-0.4 17,-0.2 19,-0.2 -1.000 9.1-165.4-152.2 146.6 24.2 84.2 61.2 74 80 A S E +k 92 0G 0 17,-1.7 19,-1.6 -2,-0.3 2,-0.2 -0.990 22.4 173.4-133.3 119.4 24.0 80.9 59.3 75 81 A F B > -M 78 0I 62 3,-1.3 3,-1.4 -2,-0.4 20,-0.1 -0.575 50.0 -49.6-119.2-178.9 21.0 78.6 59.6 76 82 A A T 3 S- 0 0 67 1,-0.3 -2,-0.0 -2,-0.2 16,-0.0 0.652 127.7 -14.7 -10.5 -74.0 19.5 75.4 58.1 77 83 A G T 3 S+ 0 0 62 19,-0.1 -1,-0.3 1,-0.1 19,-0.1 -0.053 117.6 90.3-136.2 32.9 19.9 76.3 54.4 78 84 A Q B < -M 75 0I 95 -3,-1.4 -3,-1.3 19,-0.0 -1,-0.1 -0.718 67.0-161.0-128.1 75.5 20.5 80.1 54.6 79 85 A P - 0 0 56 0, 0.0 2,-1.0 0, 0.0 -6,-0.1 0.038 26.6-106.0 -57.8 164.0 24.3 80.3 54.8 80 86 A Y + 0 0 52 17,-0.4 2,-0.8 -8,-0.1 20,-0.4 -0.836 43.0 175.5 -91.3 99.5 26.3 83.3 56.0 81 87 A H + 0 0 160 -2,-1.0 2,-0.3 18,-0.1 -1,-0.0 -0.696 42.5 73.7-106.7 73.8 27.7 84.6 52.7 82 88 A G S S- 0 0 47 -2,-0.8 18,-0.2 18,-0.0 -2,-0.1 -0.983 83.9 -42.2-165.8 175.6 29.5 87.8 53.7 83 89 A E - 0 0 160 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.157 41.1-151.1 -43.8 137.2 32.4 89.7 55.3 84 90 A W - 0 0 39 4,-0.0 4,-0.1 -12,-0.0 -1,-0.1 -0.660 14.2-149.1-118.7 77.1 33.7 88.3 58.7 85 91 A P > - 0 0 54 0, 0.0 3,-1.3 0, 0.0 -14,-0.1 -0.065 28.1-102.2 -43.9 136.8 35.1 91.2 60.7 86 92 A A T 3 S+ 0 0 88 1,-0.2 3,-0.1 -26,-0.0 0, 0.0 -0.172 105.3 30.6 -58.9 157.4 37.9 90.2 63.0 87 93 A G T 3 S+ 0 0 23 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.454 102.1 103.4 69.6 2.2 37.1 89.8 66.7 88 94 A T < - 0 0 15 -3,-1.3 -30,-0.4 -20,-0.2 2,-0.3 -0.524 54.2-151.8-107.3 176.1 33.5 88.7 65.9 89 95 A C E - k 0 70G 0 -20,-1.8 -18,-0.9 -2,-0.2 -17,-0.5 -0.986 15.6-119.4-147.3 151.4 31.7 85.3 65.9 90 96 A I E -Ik 56 72G 0 -34,-2.1 -34,-3.3 -2,-0.3 2,-0.4 -0.781 16.2-131.6 -99.4 132.7 28.8 83.8 64.0 91 97 A R E -Ik 55 73G 44 -19,-2.0 -17,-1.7 -2,-0.4 2,-0.3 -0.670 40.1-179.0 -69.7 132.3 25.5 82.5 65.5 92 98 A I E -Ik 54 74G 0 -38,-2.8 -38,-3.2 -2,-0.4 2,-0.4 -0.996 20.5-148.5-143.1 147.9 25.1 79.1 63.9 93 99 A M > - 0 0 48 -19,-1.6 3,-1.4 -2,-0.3 -43,-0.3 -0.950 38.3 -84.9-122.2 138.4 22.5 76.3 64.1 94 100 A T T 3 S+ 0 0 50 -2,-0.4 -43,-0.2 1,-0.3 -18,-0.1 0.173 115.7 25.1 -38.2 144.9 23.0 72.6 63.6 95 101 A G T 3 S+ 0 0 31 -45,-1.9 -1,-0.3 1,-0.3 -44,-0.1 0.406 97.3 129.2 75.3 -0.4 22.9 71.3 60.0 96 102 A A < - 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