==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 23-JUL-01 1IQO . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MTH1880; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER; . AUTHOR C.H.LEE,J.SHIN,E.BANG,J.W.JUNG,A.YEE,C.H.ARROWSMITH,W.LEE . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 12.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 13 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.4 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 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 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 . 0 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 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 1 A L 0 0 233 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 89.6 -11.1 18.7 -7.9 2 2 A F + 0 0 205 1,-0.5 2,-0.0 0, 0.0 0, 0.0 0.089 360.0 91.0-168.9 -60.4 -11.6 17.0 -4.5 3 3 A I - 0 0 140 1,-0.1 2,-0.6 2,-0.0 -1,-0.5 -0.297 57.8-153.6 -58.2 135.1 -10.7 13.3 -4.4 4 4 A A + 0 0 74 -3,-0.1 2,-0.4 2,-0.0 42,-0.2 -0.849 33.0 143.7-117.7 95.0 -7.1 12.7 -3.5 5 5 A T - 0 0 70 -2,-0.6 2,-0.4 40,-0.1 40,-0.2 -0.988 28.2-165.2-134.0 142.0 -5.8 9.4 -4.9 6 6 A L E -A 44 0A 117 38,-2.2 38,-2.6 -2,-0.4 2,-0.4 -0.931 8.7-173.1-131.3 109.4 -2.4 8.3 -6.3 7 7 A K E +A 43 0A 84 -2,-0.4 2,-0.3 36,-0.2 36,-0.2 -0.819 7.1 177.6-103.6 140.1 -2.1 5.1 -8.3 8 8 A G E -A 42 0A 10 34,-1.7 34,-1.5 -2,-0.4 2,-0.8 -0.994 27.8-137.0-142.7 148.6 1.2 3.7 -9.5 9 9 A I E -A 41 0A 131 -2,-0.3 2,-0.6 32,-0.2 32,-0.2 -0.812 24.1-173.9-108.3 92.9 2.5 0.6 -11.3 10 10 A F E +A 40 0A 17 30,-1.3 30,-3.9 -2,-0.8 2,-0.3 -0.764 18.6 154.7 -89.4 119.5 5.6 -0.7 -9.6 11 11 A T - 0 0 46 -2,-0.6 28,-0.3 28,-0.3 3,-0.2 -0.950 40.3 -7.3-143.7 162.7 7.3 -3.5 -11.5 12 12 A L S > S- 0 0 63 -2,-0.3 3,-1.2 1,-0.2 25,-0.1 0.121 107.4 -50.7 45.4-165.2 10.6 -5.2 -12.0 13 13 A K T 3 S+ 0 0 87 1,-0.3 -1,-0.2 2,-0.1 11,-0.0 0.690 139.9 64.1 -72.5 -18.4 13.7 -3.7 -10.4 14 14 A D T 3 + 0 0 135 1,-0.2 4,-0.3 -3,-0.2 -1,-0.3 0.193 68.6 111.8 -89.1 15.5 12.7 -0.4 -12.0 15 15 A L < + 0 0 4 -3,-1.2 2,-3.7 1,-0.2 -1,-0.2 0.780 43.5 97.2 -59.3 -31.0 9.6 -0.4 -9.8 16 16 A P S > S- 0 0 17 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 -0.237 87.7-130.3 -62.1 64.6 10.9 2.6 -7.8 17 17 A E T 4 S- 0 0 90 -2,-3.7 2,-2.2 3,-0.3 -2,-0.1 0.210 76.8 -31.2 -20.6 97.3 8.8 5.0 -9.9 18 18 A E T 4 S- 0 0 170 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.0 -0.395 139.9 -22.7 79.9 -62.4 11.6 7.5 -10.8 19 19 A F T 4 S+ 0 0 175 -2,-2.2 -2,-0.2 -4,-0.1 -1,-0.2 0.069 97.8 121.9-171.4 38.0 13.4 7.0 -7.5 20 20 A R < + 0 0 176 -4,-1.0 2,-1.7 -5,-0.1 3,-0.3 -0.665 24.8 170.1-113.0 76.6 11.0 5.6 -4.9 21 21 A P + 0 0 76 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.324 33.0 127.3 -82.3 55.7 12.5 2.2 -3.8 22 22 A F S > S+ 0 0 137 -2,-1.7 3,-1.6 1,-0.2 4,-0.2 0.990 75.4 34.7 -74.0 -68.6 10.1 1.8 -0.9 23 23 A V T >> S+ 0 0 3 -3,-0.3 3,-2.8 1,-0.3 4,-1.0 0.645 93.0 96.6 -62.3 -13.8 8.6 -1.7 -1.5 24 24 A D H 3> S+ 0 0 64 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.794 72.8 67.1 -46.3 -30.1 12.1 -2.6 -2.8 25 25 A Y H <4 S+ 0 0 141 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.849 94.8 55.1 -61.1 -34.8 12.6 -4.0 0.8 26 26 A K H X4 S+ 0 0 52 -3,-2.8 3,-0.6 1,-0.2 -1,-0.2 0.857 104.9 52.8 -66.9 -35.1 10.0 -6.6 0.1 27 27 A A H 3<>S+ 0 0 1 -4,-1.0 5,-0.6 -3,-0.3 -1,-0.2 0.774 122.7 30.2 -70.8 -26.4 12.0 -7.8 -3.0 28 28 A G T 3<5S+ 0 0 37 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.141 80.8 117.2-118.0 18.1 15.1 -8.1 -0.9 29 29 A L T < 5S- 0 0 86 -3,-0.6 -1,-0.1 1,-0.2 -3,-0.1 0.726 109.3 -17.4 -57.5 -20.6 13.5 -9.0 2.5 30 30 A E T 5S- 0 0 153 -4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.068 114.0 -66.8-179.7 45.4 15.3 -12.3 2.2 31 31 A K T 5S+ 0 0 168 -3,-0.2 -3,-0.2 2,-0.1 3,-0.1 0.923 79.6 174.0 61.4 46.1 16.5 -12.8 -1.4 32 32 A K < - 0 0 76 -5,-0.6 2,-0.1 1,-0.2 -5,-0.1 0.146 46.2 -38.8 -68.7-168.2 12.9 -13.2 -2.6 33 33 A K + 0 0 130 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.357 61.8 163.5 -59.5 127.8 11.9 -13.5 -6.3 34 34 A L + 0 0 75 -3,-0.1 -1,-0.1 -2,-0.1 -21,-0.0 -0.303 22.5 131.3-144.7 54.0 14.0 -11.2 -8.5 35 35 A S S S- 0 0 89 -23,-0.0 -2,-0.1 1,-0.0 -1,-0.0 -0.179 89.1 -93.8-100.2 39.5 13.6 -12.4 -12.1 36 36 A D S S+ 0 0 93 1,-0.1 -22,-0.1 2,-0.0 -2,-0.1 0.742 113.7 95.2 56.7 22.5 12.9 -8.9 -13.4 37 37 A D + 0 0 126 -25,-0.1 2,-1.7 -26,-0.1 -1,-0.1 0.028 39.4 137.6-129.1 24.9 9.3 -9.8 -13.0 38 38 A D + 0 0 7 -27,-0.0 2,-0.5 17,-0.0 -23,-0.1 -0.562 30.3 178.0 -76.7 86.8 8.7 -8.2 -9.5 39 39 A E + 0 0 36 -2,-1.7 17,-1.7 17,-0.4 2,-0.4 -0.823 5.7 164.9 -97.6 125.7 5.3 -6.7 -10.2 40 40 A I E -AB 10 55A 8 -30,-3.9 -30,-1.3 -2,-0.5 2,-0.5 -0.987 28.6-139.2-143.2 129.6 3.5 -4.9 -7.3 41 41 A A E -AB 9 54A 7 13,-2.5 13,-0.8 -2,-0.4 2,-0.5 -0.774 19.3-170.2 -91.7 124.0 0.6 -2.4 -7.3 42 42 A I E +AB 8 53A 22 -34,-1.5 -34,-1.7 -2,-0.5 2,-0.4 -0.958 7.0 176.1-118.8 120.7 0.9 0.5 -4.9 43 43 A I E -AB 7 52A 8 9,-1.4 9,-1.5 -2,-0.5 2,-0.6 -0.984 13.7-157.8-127.4 127.3 -2.0 2.8 -4.3 44 44 A S E +A 6 0A 46 -38,-2.6 -38,-2.2 -2,-0.4 2,-0.2 -0.903 20.6 169.5-107.0 121.7 -2.1 5.8 -1.8 45 45 A I > - 0 0 57 -2,-0.6 2,-3.2 5,-0.4 5,-0.7 -0.629 53.8 -70.5-120.2 179.4 -5.4 7.0 -0.5 46 46 A K T 5S+ 0 0 189 -42,-0.2 2,-0.2 -2,-0.2 5,-0.1 -0.331 75.0 140.4 -70.4 65.1 -6.7 9.3 2.2 47 47 A G T 5S- 0 0 30 -2,-3.2 -1,-0.2 3,-0.5 4,-0.1 -0.330 87.9 -74.2-105.9 50.8 -5.6 6.9 4.9 48 48 A T T 5S- 0 0 139 -2,-0.2 -2,-0.1 1,-0.1 3,-0.1 0.911 102.5 -41.8 61.7 43.9 -4.3 9.5 7.4 49 49 A Q T 5S+ 0 0 180 1,-0.2 2,-0.3 -4,-0.2 -1,-0.1 0.997 118.6 94.9 66.4 67.4 -1.2 10.1 5.3 50 50 A S < - 0 0 70 -5,-0.7 -3,-0.5 2,-0.0 -5,-0.4 -0.923 49.8-151.4-163.9-174.3 -0.4 6.5 4.3 51 51 A N - 0 0 81 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.920 9.7-129.1-158.7-178.5 -0.7 3.8 1.6 52 52 A H E -B 43 0A 47 -9,-1.5 -9,-1.4 -2,-0.3 2,-0.2 -0.955 12.3-136.4-142.4 160.3 -0.9 0.1 1.0 53 53 A V E -B 42 0A 43 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.689 8.6-162.2-114.2 168.2 0.7 -2.5 -1.3 54 54 A L E -B 41 0A 21 -13,-0.8 -13,-2.5 -2,-0.2 2,-0.2 -0.847 16.5-135.4-156.2 114.2 -0.6 -5.4 -3.3 55 55 A F E -B 40 0A 35 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.505 22.7-158.6 -71.6 132.1 1.4 -8.4 -4.8 56 56 A L + 0 0 14 -17,-1.7 -17,-0.4 -2,-0.2 3,-0.1 -0.938 21.5 179.2-117.4 135.5 0.5 -9.2 -8.3 57 57 A S S S- 0 0 83 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.757 79.4 -4.6 -99.7 -34.0 1.0 -12.6 -10.1 58 58 A S + 0 0 65 1,-0.1 -1,-0.3 -19,-0.0 3,-0.0 -0.763 55.1 157.4-166.2 114.3 -0.5 -11.7 -13.5 59 59 A Y + 0 0 62 -2,-0.2 2,-1.0 -3,-0.1 3,-0.3 0.634 54.6 96.3-110.0 -24.8 -2.3 -8.6 -14.6 60 60 A N + 0 0 124 1,-0.2 -1,-0.0 5,-0.1 0, 0.0 -0.579 65.5 72.4 -73.2 103.0 -1.7 -8.9 -18.4 61 61 A S S S- 0 0 100 -2,-1.0 2,-0.3 1,-0.0 -1,-0.2 -0.085 92.1 -48.0-167.9 -81.4 -4.9 -10.5 -19.6 62 62 A V >> - 0 0 92 -3,-0.3 3,-2.6 0, 0.0 4,-0.9 -0.956 69.8 -63.2-163.6 177.4 -8.2 -8.6 -19.8 63 63 A D H 3>>S+ 0 0 89 1,-0.3 4,-2.1 -2,-0.3 5,-0.7 0.737 108.8 92.0 -42.9 -25.9 -10.6 -6.3 -17.9 64 64 A E H 345S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.2 4,-0.1 0.786 104.4 21.8 -41.8 -32.4 -11.0 -9.3 -15.6 65 65 A I H <>5S+ 0 0 10 -3,-2.6 4,-2.7 -6,-0.2 5,-0.3 0.609 112.2 74.1-110.5 -20.6 -8.2 -7.6 -13.6 66 66 A R H X5S+ 0 0 144 -4,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.948 109.5 31.1 -57.9 -51.5 -8.5 -4.1 -14.9 67 67 A K H X5S+ 0 0 146 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.813 116.8 59.5 -76.7 -31.6 -11.7 -3.5 -12.8 68 68 A E H > S+ 0 0 102 1,-0.0 4,-0.9 4,-0.0 -2,-0.0 0.437 77.0 99.8 77.3 -0.5 -8.4 -9.8 3.3 82 82 A K H >> S+ 0 0 151 2,-0.2 4,-1.4 1,-0.1 3,-0.8 0.973 80.5 42.1 -78.9 -61.7 -10.7 -12.0 1.2 83 83 A I H 3> S+ 0 0 69 1,-0.3 4,-1.1 2,-0.2 5,-0.2 0.815 113.8 57.2 -54.8 -29.9 -10.0 -10.8 -2.3 84 84 A L H 3> S+ 0 0 40 1,-0.2 4,-3.6 2,-0.2 -1,-0.3 0.870 101.0 55.1 -68.9 -36.9 -6.4 -10.8 -1.2 85 85 A E H << S+ 0 0 123 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.812 106.5 52.3 -65.8 -29.8 -6.6 -14.5 -0.3 86 86 A G H < S+ 0 0 73 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.780 120.9 31.5 -77.0 -27.2 -7.8 -15.2 -3.9 87 87 A H H < 0 0 58 -4,-1.1 -2,-0.2 -3,-0.2 -3,-0.2 0.881 360.0 360.0 -94.1 -52.2 -4.9 -13.3 -5.4 88 88 A L < 0 0 125 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.405 360.0 360.0 -76.1 360.0 -2.1 -13.9 -2.9