==== 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 29-JUL-01 1IQS . COMPND 2 MOLECULE: 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) . 7952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 61.4 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 . 13 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 1 1.1 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 . 9 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 19.3 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+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 0 1 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 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 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 0 200 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.6 -11.3 21.9 1.8 2 2 A F - 0 0 188 0, 0.0 2,-1.4 0, 0.0 0, 0.0 -0.871 360.0 -55.2-158.3-170.8 -11.7 18.2 1.4 3 3 A I - 0 0 110 -2,-0.2 2,-0.9 1,-0.1 43,-0.0 -0.648 52.0-139.4 -84.3 89.8 -10.3 14.7 2.3 4 4 A A - 0 0 77 -2,-1.4 2,-0.7 1,-0.1 42,-0.5 -0.268 23.6-165.9 -51.6 93.0 -6.6 15.0 1.2 5 5 A T - 0 0 77 -2,-0.9 2,-0.4 40,-0.1 40,-0.2 -0.781 3.0-166.5 -91.1 114.4 -6.3 11.6 -0.3 6 6 A L E -A 44 0A 118 38,-1.3 38,-1.0 -2,-0.7 2,-0.3 -0.810 9.6-176.0-103.1 141.3 -2.6 10.7 -0.9 7 7 A K E -A 43 0A 121 -2,-0.4 2,-0.5 36,-0.2 36,-0.2 -0.821 3.6-172.8-139.5 97.2 -1.5 7.7 -3.1 8 8 A G E -A 42 0A 31 34,-2.0 34,-1.5 -2,-0.3 2,-0.5 -0.798 16.8-140.6 -95.5 126.5 2.2 7.0 -3.3 9 9 A I E -A 41 0A 129 -2,-0.5 2,-0.6 32,-0.2 8,-0.4 -0.720 13.3-165.1 -87.4 126.7 3.4 4.3 -5.7 10 10 A F E +A 40 0A 31 30,-2.4 30,-3.6 -2,-0.5 2,-0.5 -0.895 12.4 173.7-116.2 102.9 6.2 2.0 -4.5 11 11 A T E -A 39 0A 46 -2,-0.6 3,-0.4 28,-0.2 4,-0.4 -0.932 53.7 -48.1-113.6 128.1 7.9 0.0 -7.2 12 12 A L S > S- 0 0 43 26,-3.8 3,-0.8 -2,-0.5 24,-0.1 -0.080 106.3 -40.0 48.9-149.1 11.0 -2.1 -6.5 13 13 A K T 3 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.1 11,-0.1 0.718 138.4 66.3 -79.7 -22.2 13.7 -0.4 -4.5 14 14 A D T 3 + 0 0 137 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.370 67.5 109.1 -79.7 5.8 13.2 2.9 -6.4 15 15 A L < + 0 0 7 -3,-0.8 2,-3.5 -4,-0.4 -1,-0.2 0.800 52.4 86.7 -52.4 -32.0 9.7 3.0 -4.8 16 16 A P + 0 0 14 0, 0.0 -1,-0.2 0, 0.0 -6,-0.1 -0.212 53.1 167.9 -69.0 56.4 11.0 6.0 -2.6 17 17 A E S S+ 0 0 158 -2,-3.5 -2,-0.1 -8,-0.4 -7,-0.1 0.760 75.9 52.3 -41.1 -28.2 10.1 8.4 -5.4 18 18 A E S S- 0 0 163 -3,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.982 126.0 -86.4 -73.9 -62.4 10.7 11.0 -2.7 19 19 A F S S+ 0 0 190 1,-0.4 -1,-0.0 -4,-0.0 0, 0.0 -0.224 96.0 38.0-170.3 -90.3 14.1 10.1 -1.6 20 20 A R S S- 0 0 220 1,-0.1 -1,-0.4 -5,-0.1 2,-0.2 -0.591 84.1-104.4 -86.5 146.9 14.8 7.4 1.1 21 21 A P - 0 0 54 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.483 27.7-174.4 -72.3 135.2 12.7 4.2 1.4 22 22 A F S S+ 0 0 175 -2,-0.2 3,-0.2 2,-0.1 4,-0.1 0.681 88.7 37.2-100.0 -25.1 10.2 4.1 4.2 23 23 A V S >> S+ 0 0 6 1,-0.1 3,-3.3 2,-0.1 4,-1.0 0.670 85.9 96.5 -98.3 -22.9 9.1 0.5 3.6 24 24 A D H 3> S+ 0 0 69 1,-0.3 4,-1.1 2,-0.2 3,-0.4 0.773 77.4 67.7 -36.7 -31.3 12.5 -0.8 2.7 25 25 A Y H >> S+ 0 0 142 1,-0.2 4,-0.7 2,-0.2 3,-0.7 0.896 94.5 53.3 -59.2 -41.8 12.6 -1.8 6.4 26 26 A K H <4 S+ 0 0 58 -3,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.809 107.1 52.9 -63.6 -29.7 9.9 -4.4 5.8 27 27 A A H 3< S+ 0 0 6 -4,-1.0 6,-1.8 -3,-0.4 5,-0.4 0.704 122.8 29.0 -78.2 -20.8 12.0 -5.8 3.0 28 28 A G H X< S+ 0 0 47 -4,-1.1 3,-0.6 -3,-0.7 -2,-0.2 0.222 86.0 106.0-122.3 12.0 15.0 -6.1 5.4 29 29 A L T 3< S+ 0 0 109 -4,-0.7 -3,-0.1 1,-0.2 -2,-0.1 0.554 109.6 0.7 -68.6 -6.2 13.1 -6.6 8.6 30 30 A E T 3 S- 0 0 147 -5,-0.1 -1,-0.2 -4,-0.1 -2,-0.1 0.028 119.3 -74.4-175.5 46.9 14.2 -10.2 8.4 31 31 A K S < S+ 0 0 182 -3,-0.6 -3,-0.2 2,-0.0 3,-0.1 0.873 74.5 162.1 54.4 40.3 16.3 -10.8 5.3 32 32 A K - 0 0 89 -5,-0.4 2,-0.2 1,-0.2 -4,-0.2 0.978 48.0 -90.2 -51.4 -73.5 13.1 -10.6 3.2 33 33 A K - 0 0 128 -6,-1.8 2,-0.4 2,-0.1 -1,-0.2 -0.696 15.5-130.7 159.7 147.9 14.7 -10.0 -0.2 34 34 A L + 0 0 110 -2,-0.2 2,-0.2 -3,-0.1 -21,-0.1 -0.607 46.2 154.0-118.1 70.1 15.8 -7.2 -2.5 35 35 A S - 0 0 54 -2,-0.4 3,-0.5 1,-0.1 -22,-0.1 -0.572 52.8-124.7 -95.7 160.4 14.2 -8.1 -5.9 36 36 A D S S+ 0 0 130 1,-0.2 -1,-0.1 -2,-0.2 -22,-0.0 0.217 106.4 65.4 -86.9 15.2 13.3 -5.7 -8.7 37 37 A D + 0 0 138 -26,-0.1 -25,-0.2 -25,-0.1 -1,-0.2 0.662 66.5 125.3-106.3 -26.1 9.8 -7.0 -8.6 38 38 A D - 0 0 21 -3,-0.5 -26,-3.8 -27,-0.1 2,-0.4 -0.007 39.2-173.1 -37.1 132.2 8.8 -5.8 -5.1 39 39 A E E +A 11 0A 66 17,-0.3 17,-1.1 -28,-0.2 2,-0.3 -0.969 9.5 167.4-141.0 122.5 5.6 -3.7 -5.4 40 40 A I E -AB 10 55A 6 -30,-3.6 -30,-2.4 -2,-0.4 2,-0.3 -0.925 14.5-164.7-132.7 157.5 4.0 -1.7 -2.6 41 41 A A E -AB 9 54A 11 13,-1.5 13,-1.7 -2,-0.3 2,-0.4 -0.921 4.4-170.2-147.8 117.5 1.3 1.0 -2.3 42 42 A I E -AB 8 53A 25 -34,-1.5 -34,-2.0 -2,-0.3 2,-0.4 -0.896 4.0-175.8-111.2 136.8 0.5 3.2 0.6 43 43 A I E -AB 7 52A 8 9,-1.5 9,-2.1 -2,-0.4 2,-0.2 -0.990 3.1-168.0-135.3 127.0 -2.6 5.5 0.9 44 44 A S E -AB 6 51A 29 -38,-1.0 -38,-1.3 -2,-0.4 7,-0.2 -0.699 10.9-177.5-109.8 163.1 -3.4 8.0 3.6 45 45 A I - 0 0 43 5,-0.6 -40,-0.1 -2,-0.2 3,-0.1 -0.369 65.8 -77.6-159.9 70.0 -6.6 9.9 4.5 46 46 A K S S+ 0 0 187 -42,-0.5 2,-2.9 1,-0.2 5,-0.1 0.790 70.0 168.9 37.4 34.3 -6.2 12.3 7.4 47 47 A G - 0 0 29 3,-0.6 2,-2.6 1,-0.2 -1,-0.2 -0.307 68.7 -79.9 -73.9 60.5 -6.4 9.1 9.5 48 48 A T S S- 0 0 132 -2,-2.9 -1,-0.2 1,-0.2 -2,-0.1 -0.288 105.3 -28.6 76.0 -56.0 -5.4 11.0 12.7 49 49 A Q S S+ 0 0 189 -2,-2.6 2,-0.3 -4,-0.0 -1,-0.2 0.081 122.3 43.1 172.2 56.0 -1.8 10.8 11.7 50 50 A S - 0 0 92 2,-0.0 -5,-0.6 0, 0.0 -3,-0.6 -0.915 58.8-133.3-175.5-160.1 -0.9 7.8 9.5 51 51 A N E -B 44 0A 66 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.828 31.1 -82.1-158.0-165.0 -2.1 5.7 6.5 52 52 A H E -B 43 0A 65 -9,-2.1 -9,-1.5 -2,-0.2 2,-0.7 -0.936 31.6-157.8-123.2 109.5 -2.6 2.1 5.3 53 53 A V E -B 42 0A 59 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.763 16.7-175.5 -89.3 115.9 0.4 0.2 3.9 54 54 A L E -B 41 0A 29 -13,-1.7 -13,-1.5 -2,-0.7 2,-0.7 -0.762 23.7-127.9-110.3 156.9 -0.6 -2.6 1.6 55 55 A F E -B 40 0A 51 -2,-0.3 2,-1.6 -15,-0.2 -15,-0.2 -0.891 13.7-149.0-108.6 107.7 1.6 -5.2 -0.1 56 56 A L + 0 0 30 -17,-1.1 3,-0.3 -2,-0.7 -17,-0.3 -0.568 22.8 173.7 -76.4 88.9 0.9 -5.5 -3.9 57 57 A S S S- 0 0 106 -2,-1.6 2,-0.4 1,-0.3 -1,-0.2 0.992 70.6 -4.5 -58.7 -67.3 1.7 -9.2 -4.4 58 58 A S - 0 0 102 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 -0.930 67.2-174.6-137.3 111.4 0.6 -9.4 -8.1 59 59 A Y + 0 0 87 -2,-0.4 -3,-0.0 -3,-0.3 0, 0.0 -0.920 12.2 162.2-110.1 118.7 -0.9 -6.5 -10.0 60 60 A N - 0 0 121 -2,-0.6 -1,-0.2 2,-0.1 0, 0.0 0.826 54.0 -89.0 -94.5 -88.7 -2.1 -7.1 -13.5 61 61 A S S S+ 0 0 105 1,-0.0 2,-0.4 0, 0.0 -2,-0.0 0.098 73.4 120.5 168.8 59.3 -4.5 -4.5 -14.9 62 62 A V >> - 0 0 75 1,-0.1 3,-2.8 0, 0.0 4,-1.5 -1.000 68.8-117.1-139.7 138.1 -8.2 -5.2 -14.2 63 63 A D H 3> S+ 0 0 106 -2,-0.4 4,-4.2 1,-0.3 5,-0.4 0.815 110.5 74.9 -37.3 -39.1 -10.8 -3.2 -12.3 64 64 A E H 3> S+ 0 0 157 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.879 106.4 32.3 -42.9 -47.4 -10.9 -6.2 -9.9 65 65 A I H <> S+ 0 0 31 -3,-2.8 4,-1.9 2,-0.2 -1,-0.3 0.836 117.7 55.9 -80.6 -35.5 -7.6 -5.0 -8.5 66 66 A R H X S+ 0 0 132 -4,-1.5 4,-1.8 1,-0.2 5,-0.2 0.914 108.9 47.0 -63.0 -44.3 -8.3 -1.3 -9.0 67 67 A K H X S+ 0 0 139 -4,-4.2 4,-1.9 -5,-0.2 -1,-0.2 0.931 107.2 57.4 -63.6 -47.1 -11.6 -1.5 -7.0 68 68 A E H X S+ 0 0 95 -4,-1.3 4,-1.6 -5,-0.4 3,-0.3 0.944 111.2 41.8 -48.1 -59.0 -9.9 -3.4 -4.2 69 69 A L H >X S+ 0 0 32 -4,-1.9 3,-1.8 1,-0.2 4,-0.8 0.982 111.9 50.9 -53.0 -71.7 -7.3 -0.7 -3.5 70 70 A E H >X>S+ 0 0 98 -4,-1.8 4,-1.6 1,-0.3 3,-0.6 0.770 108.8 58.5 -38.2 -30.6 -9.6 2.3 -3.9 71 71 A E H 3X5S+ 0 0 77 -4,-1.9 4,-0.9 -3,-0.3 -1,-0.3 0.919 109.2 39.8 -68.7 -45.1 -11.8 0.4 -1.4 72 72 A A H <<5S+ 0 0 11 -3,-1.8 -1,-0.2 -4,-1.6 -2,-0.2 0.270 112.3 63.9 -87.5 11.4 -9.0 0.3 1.2 73 73 A G H <<5S- 0 0 5 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.2 0.879 132.5 -22.9 -98.2 -55.3 -8.0 3.8 0.4 74 74 A A H <5S+ 0 0 65 -4,-1.6 -3,-0.1 -69,-0.1 -2,-0.1 0.181 117.7 84.4-143.3 12.9 -11.0 6.0 1.3 75 75 A K S < + 0 0 112 1,-0.1 4,-1.1 3,-0.1 -3,-0.0 0.769 60.4 144.5 37.9 30.3 -8.3 -7.1 9.0 82 82 A K H >> + 0 0 151 1,-0.2 4,-1.5 2,-0.2 3,-0.9 0.937 61.3 58.0 -60.9 -48.8 -10.5 -9.8 7.5 83 83 A I H >> S+ 0 0 58 1,-0.3 4,-2.1 2,-0.2 3,-0.8 0.899 104.1 52.3 -48.1 -47.2 -9.6 -8.8 3.9 84 84 A L H 3> S+ 0 0 51 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.832 108.2 51.9 -60.1 -32.5 -5.9 -9.4 4.7 85 85 A E H << S+ 0 0 166 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.720 115.0 42.0 -76.4 -21.8 -7.0 -12.9 6.0 86 86 A G H << S+ 0 0 71 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.652 139.6 8.6 -97.4 -19.3 -8.8 -13.5 2.7 87 87 A H H < 0 0 78 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 -0.092 360.0 360.0-153.7 41.4 -6.2 -12.1 0.4 88 88 A L < 0 0 123 -4,-1.1 -2,-0.1 -5,-0.0 -1,-0.1 -0.139 360.0 360.0-170.0 360.0 -3.1 -11.4 2.6