==== 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 METAL BINDING PROTEIN 17-NOV-00 1G8L . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.XIANG,J.NICHOLS,K.V.RAJAGOPALAN,H.SCHINDELIN . 806 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 18.1 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 . 74 9.2 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 . 124 15.4 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 1 3 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 5 1 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 . 13 4 4 8 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 7 A L 0 0 167 0, 0.0 2,-0.4 0, 0.0 269,-0.2 0.000 360.0 360.0 360.0 -48.2 -21.6 72.4 -2.3 2 8 A M B -a 270 0A 42 267,-3.2 269,-3.7 1,-0.0 2,-0.2 -0.736 360.0-113.6 -88.6 137.0 -19.6 69.2 -3.3 3 9 A S > - 0 0 33 -2,-0.4 4,-2.8 267,-0.2 5,-0.2 -0.430 13.1-132.6 -72.3 138.5 -21.4 65.9 -3.5 4 10 A L H > S+ 0 0 17 267,-0.3 4,-3.8 1,-0.2 5,-0.3 0.926 107.8 52.5 -52.3 -51.8 -20.5 63.1 -1.0 5 11 A D H > S+ 0 0 107 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.895 111.4 47.0 -54.3 -43.1 -20.2 60.5 -3.7 6 12 A T H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.894 114.7 46.5 -65.5 -43.2 -17.8 62.8 -5.6 7 13 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.957 115.9 44.2 -63.7 -51.6 -15.8 63.5 -2.5 8 14 A L H X S+ 0 0 10 -4,-3.8 4,-2.8 1,-0.2 5,-0.3 0.955 113.6 51.1 -60.0 -49.7 -15.6 59.8 -1.5 9 15 A N H X S+ 0 0 86 -4,-2.9 4,-1.7 -5,-0.3 -1,-0.2 0.885 111.7 47.2 -55.9 -40.8 -14.8 58.7 -5.0 10 16 A E H X S+ 0 0 90 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.905 111.1 51.6 -68.8 -41.1 -12.0 61.2 -5.3 11 17 A M H >X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.8 0.942 111.9 46.3 -60.1 -48.1 -10.6 60.3 -1.9 12 18 A L H >< S+ 0 0 36 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.833 103.6 62.7 -65.1 -32.2 -10.6 56.6 -2.8 13 19 A S H 3< S+ 0 0 88 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.717 104.0 49.1 -68.0 -20.2 -9.0 57.2 -6.2 14 20 A R H << S+ 0 0 107 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.2 0.671 94.3 94.0 -91.6 -18.5 -5.9 58.6 -4.6 15 21 A V << - 0 0 4 -4,-0.8 -3,-0.0 -3,-0.5 -4,-0.0 -0.551 56.1-159.4 -85.7 136.9 -5.4 55.8 -2.1 16 22 A T - 0 0 109 -2,-0.3 3,-0.1 297,-0.0 -3,-0.0 -0.946 28.3-116.3-111.6 122.8 -3.2 52.7 -2.6 17 23 A P - 0 0 51 0, 0.0 296,-0.2 0, 0.0 297,-0.2 -0.269 36.1-101.9 -59.8 142.2 -4.0 49.7 -0.5 18 24 A L - 0 0 25 295,-2.9 151,-0.1 1,-0.1 154,-0.1 -0.192 33.7-175.5 -58.0 157.3 -1.2 48.6 1.9 19 25 A T + 0 0 119 -3,-0.1 -1,-0.1 2,-0.1 295,-0.0 0.539 43.5 114.0-129.7 -23.7 0.8 45.6 0.9 20 26 A A - 0 0 49 149,-0.1 150,-2.3 1,-0.1 2,-0.3 -0.238 52.9-166.1 -52.4 141.2 3.1 45.0 3.8 21 27 A Q E -B 169 0B 105 148,-0.3 2,-0.3 14,-0.0 148,-0.2 -0.805 24.6-164.5-134.9 169.0 2.1 41.6 5.3 22 28 A E E -B 168 0B 70 146,-2.3 146,-3.4 -2,-0.3 2,-0.6 -0.980 23.3-126.1-149.1 149.0 2.4 39.3 8.2 23 29 A T E +B 167 0B 73 -2,-0.3 -2,-0.0 144,-0.3 146,-0.0 -0.883 34.8 177.7-102.3 124.0 1.7 35.6 8.6 24 30 A L E -B 166 0B 22 142,-2.5 142,-2.1 -2,-0.6 5,-0.1 -0.931 36.3-101.9-129.3 149.8 -0.6 34.8 11.5 25 31 A P E > -B 165 0B 44 0, 0.0 3,-2.2 0, 0.0 140,-0.3 -0.404 46.2-109.2 -62.9 144.7 -2.2 31.6 12.9 26 32 A L G > S+ 0 0 8 138,-2.1 3,-2.4 1,-0.3 4,-0.2 0.805 113.6 65.8 -48.5 -39.7 -5.9 31.5 11.8 27 33 A V G 3 S+ 0 0 42 1,-0.3 3,-0.3 137,-0.3 -1,-0.3 0.706 103.1 48.6 -60.0 -17.9 -7.3 32.3 15.2 28 34 A Q G < S+ 0 0 111 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.300 92.6 83.0-103.9 11.4 -5.8 35.7 15.0 29 35 A C X + 0 0 0 -3,-2.4 3,-2.3 -4,-0.1 121,-0.3 0.355 50.4 133.8 -99.8 6.5 -7.1 36.5 11.5 30 36 A F T 3 S+ 0 0 27 -3,-0.3 121,-0.2 1,-0.3 3,-0.1 -0.331 84.1 4.9 -59.4 130.3 -10.6 37.6 12.2 31 37 A G T 3 S+ 0 0 20 119,-3.2 -1,-0.3 1,-0.3 2,-0.2 0.441 102.5 131.0 79.0 -4.3 -11.3 40.8 10.2 32 38 A R < - 0 0 30 -3,-2.3 118,-3.4 118,-0.3 2,-0.5 -0.503 58.3-120.0 -86.8 150.6 -7.9 40.6 8.5 33 39 A I B -D 149 0C 7 136,-0.4 136,-2.6 116,-0.2 116,-0.2 -0.826 27.2-117.1 -92.3 125.0 -7.3 40.8 4.8 34 40 A L B -C 168 0B 0 114,-2.8 113,-3.4 -2,-0.5 134,-0.3 -0.414 21.0-163.3 -58.2 127.2 -5.7 37.9 3.0 35 41 A A S S+ 0 0 20 132,-3.7 2,-0.3 111,-0.2 133,-0.2 0.746 72.7 23.8 -84.6 -31.4 -2.4 39.0 1.5 36 42 A S S S- 0 0 51 131,-0.9 -1,-0.2 109,-0.1 111,-0.1 -0.976 95.1 -87.2-137.3 151.0 -2.0 36.1 -0.8 37 43 A D - 0 0 78 -2,-0.3 2,-0.7 109,-0.1 -2,-0.1 -0.213 39.6-130.1 -52.0 136.9 -4.4 33.6 -2.5 38 44 A V E -E 144 0D 8 106,-3.7 105,-3.7 128,-0.0 106,-1.1 -0.869 26.5-158.3 -94.9 118.3 -5.1 30.6 -0.4 39 45 A V E -E 142 0D 75 -2,-0.7 103,-0.2 103,-0.3 100,-0.1 -0.810 18.1-114.8-100.7 137.5 -4.5 27.6 -2.6 40 46 A S - 0 0 2 101,-3.5 100,-3.8 -2,-0.4 101,-0.3 -0.588 20.1-169.1 -77.0 123.1 -6.0 24.3 -1.8 41 47 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.580 72.2 39.0 -79.8 -10.9 -3.6 21.5 -0.9 42 48 A L S S- 0 0 59 96,-0.1 2,-0.3 92,-0.0 98,-0.1 -0.883 83.3-103.9-138.2 167.5 -6.3 18.9 -1.1 43 49 A D - 0 0 49 -2,-0.3 95,-0.3 95,-0.2 92,-0.1 -0.716 40.2-122.6 -90.0 138.0 -9.4 17.8 -3.0 44 50 A V B S+F 137 0E 37 93,-4.3 93,-2.6 -2,-0.3 92,-2.1 -0.975 103.2 28.1-131.4 116.2 -12.7 18.4 -1.4 45 51 A P S S- 0 0 20 0, 0.0 89,-3.1 0, 0.0 -1,-0.2 0.604 89.6-148.1 -72.8 167.7 -14.3 16.1 -1.0 46 52 A G S S+ 0 0 49 87,-0.2 2,-0.3 -2,-0.1 87,-0.1 0.643 74.9 15.0 -77.4 -15.5 -11.3 13.8 -0.7 47 53 A F S S- 0 0 102 85,-0.1 2,-0.3 84,-0.1 87,-0.1 -0.971 94.1 -80.5-154.3 158.5 -13.0 10.7 -2.3 48 54 A D + 0 0 46 -2,-0.3 50,-2.2 50,-0.1 2,-0.3 -0.470 61.4 167.7 -63.3 124.6 -16.1 9.8 -4.3 49 55 A N E -GH 97 131F 10 82,-2.5 82,-3.5 48,-0.3 2,-0.3 -0.908 35.9 -82.7-139.7 168.1 -19.0 9.7 -1.9 50 56 A S E - H 0 130F 0 46,-2.6 45,-3.8 43,-0.4 80,-0.2 -0.525 16.5-161.0 -80.3 132.5 -22.8 9.5 -1.8 51 57 A A S S+ 0 0 19 78,-2.8 2,-0.3 -2,-0.3 43,-0.2 0.646 77.3 26.4 -77.4 -18.1 -25.0 12.5 -2.1 52 58 A M S S- 0 0 52 77,-0.5 2,-0.7 41,-0.1 44,-0.2 -0.856 83.7 -96.2-141.1 174.8 -27.9 10.6 -0.7 53 59 A D S S+ 0 0 55 -2,-0.3 55,-2.4 40,-0.2 56,-0.3 -0.862 82.9 76.1 -93.0 117.5 -29.1 7.8 1.5 54 60 A G E S-IJ 92 107G 0 38,-2.5 38,-2.8 -2,-0.7 2,-0.4 -0.753 81.4 -39.3-179.5-131.3 -29.8 4.9 -0.8 55 61 A Y E -IJ 91 106G 12 51,-2.3 51,-2.5 36,-0.2 2,-0.5 -0.993 34.6-136.8-135.2 138.6 -28.0 2.2 -2.6 56 62 A A E +IJ 90 105G 0 34,-3.0 34,-2.2 -2,-0.4 2,-0.3 -0.797 41.7 164.9 -89.5 129.3 -24.8 2.1 -4.6 57 63 A V E - J 0 104G 0 47,-2.7 46,-2.6 -2,-0.5 47,-1.3 -0.832 36.8-115.5-139.5 177.1 -25.3 0.2 -7.8 58 64 A R >> - 0 0 46 -2,-0.3 4,-1.7 44,-0.2 3,-0.8 -0.973 26.2-126.5-120.5 134.5 -23.9 -0.7 -11.3 59 65 A L H 3> S+ 0 0 47 -2,-0.4 4,-2.1 1,-0.3 5,-0.1 0.802 110.3 53.8 -47.2 -37.2 -25.7 0.3 -14.4 60 66 A A H 3> S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.897 104.8 52.8 -69.5 -39.1 -25.6 -3.3 -15.7 61 67 A D H <> S+ 0 0 18 -3,-0.8 4,-0.8 2,-0.2 5,-0.3 0.891 111.7 45.7 -63.7 -38.7 -27.2 -4.7 -12.5 62 68 A I H >< S+ 0 0 36 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.929 108.5 57.7 -66.6 -43.4 -30.1 -2.3 -12.9 63 69 A A H 3< S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.844 97.5 61.5 -54.8 -34.5 -30.2 -3.2 -16.5 64 70 A S H 3< S- 0 0 86 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.840 96.4-150.1 -62.4 -34.6 -30.7 -6.8 -15.4 65 71 A G << + 0 0 54 -3,-1.3 55,-0.2 -4,-0.8 -1,-0.1 0.222 49.4 123.8 87.5 -15.8 -33.9 -5.7 -13.7 66 72 A Q S S- 0 0 77 -5,-0.3 -1,-0.2 1,-0.1 54,-0.2 -0.402 75.7 -87.2 -78.0 154.3 -34.1 -8.2 -10.9 67 73 A P - 0 0 39 0, 0.0 52,-0.3 0, 0.0 -1,-0.1 -0.316 45.6-130.3 -56.4 147.2 -34.3 -7.0 -7.3 68 74 A L B -L 118 0H 0 50,-3.1 50,-3.3 -3,-0.1 20,-0.2 -0.927 12.8-137.6-109.2 116.3 -30.8 -6.5 -6.0 69 75 A P - 0 0 56 0, 0.0 20,-2.4 0, 0.0 2,-0.8 -0.406 29.1-106.4 -67.2 145.7 -29.9 -8.1 -2.7 70 76 A V E -k 89 0G 70 18,-0.2 20,-0.2 1,-0.2 3,-0.1 -0.709 32.8-174.8 -80.5 112.0 -27.9 -5.9 -0.3 71 77 A A E - 0 0 33 18,-2.3 2,-0.3 -2,-0.8 19,-0.2 0.550 61.7 -53.0 -80.0 -14.5 -24.3 -7.1 -0.3 72 78 A G E -k 90 0G 18 17,-0.7 19,-3.1 12,-0.0 2,-0.3 -0.976 57.0 -95.5 165.4-168.4 -23.3 -4.7 2.5 73 79 A K E -k 91 0G 84 -2,-0.3 2,-0.4 17,-0.3 8,-0.2 -0.982 10.4-151.9-143.3 151.6 -23.2 -1.1 3.5 74 80 A S E +k 92 0G 0 17,-2.4 19,-1.3 -2,-0.3 22,-0.2 -0.994 26.0 175.8-122.7 125.4 -20.8 1.9 3.4 75 81 A F B > -N 78 0I 60 3,-1.9 3,-1.2 -2,-0.4 20,-0.0 -0.525 44.6 -71.1-117.0-172.2 -21.2 4.6 6.1 76 82 A A T 3 S+ 0 0 78 1,-0.3 2,-0.4 20,-0.2 -1,-0.0 0.947 125.3 17.1 -44.5 -80.1 -19.5 7.8 7.2 77 83 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 19,-0.1 520,-0.1 -0.179 122.8 60.2 -96.2 45.9 -16.3 6.5 8.7 78 84 A Q B < -N 75 0I 95 -3,-1.2 -3,-1.9 -2,-0.4 -1,-0.2 -0.440 67.2-156.3-169.8 86.4 -16.2 3.0 7.2 79 85 A P - 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