==== 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 METAL BINDING PROTEIN 26-JUN-08 2K5C . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN PF0385; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR J.H.PRESTEGARD,F.TIAN,C.BAUCOM,M.W.W.ADAMS,G.T.MONTELIONE, . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 46.6 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 . 9 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 27.3 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+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 0 1 0 1 1 0 0 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A M 0 0 153 0, 0.0 2,-0.3 0, 0.0 11,-0.2 0.000 360.0 360.0 360.0 138.1 2.3 0.5 -1.6 2 9 A A E -A 11 0A 7 9,-1.8 9,-2.2 57,-0.0 2,-0.4 -0.844 360.0-156.0-107.7 142.5 2.4 -2.7 -3.8 3 10 A K E -A 10 0A 132 -2,-0.3 0, 0.0 7,-0.2 0, 0.0 -0.952 20.4-117.4-123.3 138.3 5.6 -4.4 -5.0 4 11 A C - 0 0 6 5,-1.2 4,-0.2 -2,-0.4 50,-0.0 -0.580 11.9-153.6 -72.7 122.9 6.2 -6.7 -8.1 5 12 A P S S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 49,-0.0 0.500 95.7 47.7 -74.5 -1.7 7.3 -10.5 -7.2 6 13 A I S S+ 0 0 69 46,-0.1 47,-0.0 3,-0.1 -2,-0.0 0.865 135.2 2.3-100.0 -56.0 9.0 -10.7 -10.7 7 14 A C S S- 0 0 64 2,-0.1 -4,-0.0 45,-0.1 0, 0.0 0.796 87.0-129.5-103.8 -41.9 11.0 -7.4 -11.1 8 15 A G + 0 0 31 -4,-0.2 -5,-0.0 1,-0.2 0, 0.0 0.785 49.6 152.0 90.8 35.7 10.5 -5.6 -7.7 9 16 A S - 0 0 37 1,-0.1 -5,-1.2 0, 0.0 -1,-0.2 -0.706 49.8 -94.2 -95.5 148.7 9.4 -2.1 -9.0 10 17 A P E -A 3 0A 107 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.362 39.8-168.8 -69.2 140.8 6.9 0.4 -6.9 11 18 A L E -A 2 0A 24 -9,-2.2 -9,-1.8 -2,-0.1 2,-0.4 -0.956 16.2-129.2-128.4 145.4 3.1 0.3 -7.6 12 19 A K > - 0 0 131 -2,-0.3 4,-0.7 -11,-0.2 3,-0.5 -0.797 3.3-148.8 -99.4 135.3 0.3 2.7 -6.5 13 20 A W H > S+ 0 0 29 -2,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.684 99.7 62.4 -69.2 -24.9 -3.0 1.4 -4.8 14 21 A E H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.731 100.0 53.5 -70.4 -30.4 -4.9 4.4 -6.5 15 22 A E H > S+ 0 0 99 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.794 105.3 53.6 -74.4 -35.1 -4.0 3.0 -10.1 16 23 A L H X S+ 0 0 33 -4,-0.7 4,-0.7 2,-0.2 -2,-0.2 0.826 112.9 42.2 -67.5 -40.2 -5.5 -0.5 -9.3 17 24 A I H < S+ 0 0 15 -4,-1.0 4,-0.4 2,-0.2 -2,-0.2 0.845 115.5 50.1 -74.6 -41.2 -9.0 0.9 -8.2 18 25 A E H < S+ 0 0 101 -4,-1.3 3,-0.2 1,-0.2 -2,-0.2 0.797 114.1 44.5 -67.3 -35.9 -9.1 3.5 -11.1 19 26 A E H < S+ 0 0 144 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.663 116.5 46.5 -80.4 -22.9 -8.3 0.8 -13.8 20 27 A M S >< S+ 0 0 47 -4,-0.7 3,-0.9 1,-0.2 -2,-0.2 0.345 84.8 92.1-102.7 1.6 -10.9 -1.7 -12.2 21 28 A L T 3 + 0 0 21 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.261 64.0 86.4 -81.4 13.0 -13.8 0.9 -11.9 22 29 A I T 3 S+ 0 0 136 -3,-0.2 2,-0.3 4,-0.0 -1,-0.2 0.492 71.5 87.6 -89.7 -8.1 -15.1 -0.2 -15.4 23 30 A I < - 0 0 76 -3,-0.9 3,-0.4 1,-0.1 4,-0.2 -0.784 67.4-149.4 -99.0 137.5 -17.2 -3.2 -13.9 24 31 A E S > S+ 0 0 173 -2,-0.3 3,-0.7 1,-0.2 4,-0.2 0.710 98.2 61.2 -74.6 -27.4 -20.9 -2.6 -12.6 25 32 A N T >> S+ 0 0 104 1,-0.2 3,-1.3 2,-0.1 4,-1.3 0.668 85.9 78.9 -70.8 -22.9 -20.5 -5.4 -9.9 26 33 A F H 3> S+ 0 0 5 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.746 83.3 61.8 -56.1 -34.1 -17.6 -3.3 -8.3 27 34 A E H <4 S+ 0 0 107 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.1 0.724 108.9 43.1 -63.5 -28.3 -20.2 -0.9 -6.6 28 35 A E H <4 S+ 0 0 115 -3,-1.3 3,-0.4 -4,-0.2 4,-0.3 0.760 113.4 50.3 -86.2 -34.6 -21.5 -4.1 -4.7 29 36 A I H >< S+ 0 0 5 -4,-1.3 3,-1.3 1,-0.2 7,-0.4 0.836 101.6 62.9 -71.8 -39.6 -17.8 -5.4 -3.8 30 37 A V T 3< S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.599 99.5 56.1 -61.1 -20.1 -16.7 -1.8 -2.4 31 38 A K T 3 S+ 0 0 161 -3,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.615 106.6 53.8 -85.6 -19.9 -19.4 -2.2 0.4 32 39 A D <> - 0 0 87 -3,-1.3 4,-1.3 -4,-0.3 3,-0.5 -0.971 59.2-168.1-128.6 110.9 -18.0 -5.6 1.7 33 40 A R H > S+ 0 0 123 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.742 89.8 60.6 -60.4 -32.3 -14.2 -6.0 2.7 34 41 A E H > S+ 0 0 174 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.757 108.8 42.9 -68.4 -31.8 -14.5 -9.9 2.8 35 42 A R H > S+ 0 0 106 -3,-0.5 4,-1.0 -6,-0.2 -2,-0.2 0.776 113.7 51.3 -82.4 -34.7 -15.5 -10.0 -1.0 36 43 A F H X S+ 0 0 9 -4,-1.3 4,-1.3 -7,-0.4 -2,-0.2 0.888 113.2 43.4 -70.5 -44.3 -12.8 -7.3 -2.1 37 44 A L H X S+ 0 0 31 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.801 115.6 49.2 -70.2 -36.0 -9.7 -9.2 -0.4 38 45 A A H X S+ 0 0 48 -4,-0.7 4,-0.9 -5,-0.2 -1,-0.2 0.732 111.6 49.6 -73.2 -29.6 -10.9 -12.7 -1.6 39 46 A Q H X S+ 0 0 71 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.777 108.9 50.9 -79.0 -34.4 -11.3 -11.3 -5.3 40 47 A V H < S+ 0 0 25 -4,-1.3 16,-1.0 2,-0.2 17,-0.2 0.846 113.6 46.0 -69.9 -40.2 -7.7 -9.6 -5.3 41 48 A E H < S+ 0 0 82 -4,-1.2 16,-0.7 15,-0.3 -2,-0.2 0.783 117.1 44.0 -71.1 -34.3 -6.2 -13.1 -4.1 42 49 A E H < S+ 0 0 156 -4,-0.9 2,-0.2 14,-0.2 -2,-0.2 0.703 108.9 67.3 -83.6 -27.4 -8.2 -15.1 -6.7 43 50 A F S < S- 0 0 126 -4,-1.3 13,-1.2 -5,-0.0 2,-0.3 -0.683 76.6-132.3 -99.0 151.9 -7.6 -12.7 -9.7 44 51 A V E -B 55 0B 36 -2,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.780 15.8-152.7-106.1 148.0 -4.3 -12.0 -11.5 45 52 A F E -B 54 0B 29 9,-3.0 9,-2.8 -2,-0.3 2,-0.3 -0.868 11.8-125.9-121.7 152.0 -2.8 -8.5 -12.3 46 53 A K E -B 53 0B 159 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.785 15.5-134.4-101.8 141.8 -0.3 -7.2 -15.1 47 54 A C > - 0 0 6 5,-1.2 4,-0.6 -2,-0.3 -36,-0.0 -0.847 7.3-163.0 -96.0 119.4 3.0 -5.3 -14.5 48 55 A P T 4 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.560 91.2 54.5 -75.1 -7.7 3.6 -2.1 -16.8 49 56 A V T 4 S+ 0 0 90 3,-0.1 -2,-0.0 -40,-0.1 0, 0.0 0.900 130.7 5.8 -88.3 -51.9 7.4 -2.1 -15.8 50 57 A C T 4 S- 0 0 60 2,-0.2 -4,-0.0 -41,-0.1 0, 0.0 0.842 90.3-128.8-100.4 -50.6 8.3 -5.8 -16.8 51 58 A G < + 0 0 55 -4,-0.6 2,-0.1 1,-0.4 0, 0.0 0.161 63.3 121.9 118.3 -14.6 5.1 -7.2 -18.5 52 59 A E - 0 0 125 -6,-0.1 -5,-1.2 1,-0.1 -1,-0.4 -0.453 62.9-108.8 -82.2 153.5 4.6 -10.5 -16.5 53 60 A E E -B 46 0B 113 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.631 30.2-168.3 -87.4 138.4 1.4 -11.4 -14.4 54 61 A F E -B 45 0B 13 -9,-2.8 -9,-3.0 -2,-0.3 2,-0.2 -0.973 13.8-132.2-129.2 141.3 1.3 -11.5 -10.5 55 62 A Y E > -B 44 0B 127 -2,-0.3 3,-0.8 -11,-0.2 -11,-0.2 -0.613 13.0-133.1 -96.3 151.5 -1.4 -12.9 -8.1 56 63 A G T 3 S+ 0 0 9 -13,-1.2 -15,-0.3 -16,-1.0 3,-0.2 0.488 106.1 64.5 -76.8 -8.0 -3.0 -11.3 -5.0 57 64 A K T 3 S+ 0 0 142 -16,-0.7 -1,-0.2 -17,-0.2 -16,-0.1 0.594 97.9 54.2 -86.3 -19.6 -2.4 -14.6 -3.0 58 65 A T S < S+ 0 0 98 -3,-0.8 -1,-0.2 -17,-0.1 -2,-0.2 0.273 89.3 105.2 -97.5 6.8 1.5 -14.2 -3.4 59 66 A L S S- 0 0 44 -3,-0.2 -55,-0.0 1,-0.1 5,-0.0 -0.454 80.8 -86.0 -85.8 159.1 1.3 -10.6 -1.8 60 67 A P > - 0 0 66 0, 0.0 4,-0.8 0, 0.0 3,-0.4 -0.273 27.1-123.4 -69.7 154.5 2.5 -9.8 2.0 61 68 A R T 4 S+ 0 0 238 1,-0.2 4,-0.3 2,-0.2 -2,-0.0 0.608 110.3 56.4 -68.3 -18.0 0.2 -10.2 5.1 62 69 A R T 4 S+ 0 0 208 2,-0.2 4,-0.4 1,-0.1 3,-0.4 0.780 102.1 54.5 -83.7 -33.7 0.8 -6.4 6.1 63 70 A E T > S+ 0 0 22 -3,-0.4 4,-0.6 1,-0.2 3,-0.3 0.722 98.5 64.0 -69.9 -28.7 -0.5 -5.0 2.6 64 71 A A H X S+ 0 0 41 -4,-0.8 4,-0.6 1,-0.2 3,-0.3 0.756 98.7 54.4 -64.3 -31.9 -3.9 -7.0 3.0 65 72 A E H 4 S+ 0 0 140 -3,-0.4 4,-0.4 -4,-0.3 -1,-0.2 0.710 100.0 61.5 -72.2 -27.9 -4.7 -4.8 6.2 66 73 A K H > S+ 0 0 90 -4,-0.4 4,-0.8 -3,-0.3 3,-0.3 0.721 95.6 60.7 -68.3 -28.8 -4.1 -1.6 3.9 67 74 A V H X S+ 0 0 4 -4,-0.6 4,-1.2 -3,-0.3 3,-0.3 0.833 98.4 57.2 -67.0 -40.1 -7.1 -2.9 1.6 68 75 A F H X S+ 0 0 94 -4,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.721 100.9 60.3 -58.8 -28.0 -9.5 -2.6 4.8 69 76 A E H > S+ 0 0 103 -4,-0.4 4,-1.9 -3,-0.3 -1,-0.2 0.848 102.5 47.5 -71.6 -42.6 -8.4 1.2 5.0 70 77 A L H < S+ 0 0 30 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.827 115.9 46.1 -67.3 -37.3 -9.8 2.2 1.4 71 78 A L H < S+ 0 0 19 -4,-1.2 3,-0.3 1,-0.1 -2,-0.2 0.802 117.8 42.8 -71.2 -37.5 -13.2 0.4 2.2 72 79 A N H < S+ 0 0 105 -4,-1.4 2,-0.8 1,-0.2 -2,-0.2 0.755 106.3 62.1 -80.7 -32.0 -13.4 2.0 5.8 73 80 A D S < S+ 0 0 94 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 -0.477 77.2 151.6 -98.6 57.8 -12.4 5.6 4.7 74 81 A F + 0 0 91 -2,-0.8 -3,-0.1 -3,-0.3 -4,-0.0 -0.673 38.0 39.0 -92.4 145.6 -15.4 6.1 2.3 75 82 A K S S+ 0 0 196 -2,-0.3 4,-0.1 3,-0.1 2,-0.0 0.790 87.7 67.1 77.5 112.0 -17.0 9.6 1.4 76 83 A G S S+ 0 0 79 2,-0.3 -2,-0.1 0, 0.0 -3,-0.0 -0.476 107.4 16.1 157.2 -74.5 -14.7 12.6 0.9 77 84 A G S S+ 0 0 27 9,-0.2 2,-0.5 -2,-0.0 -3,-0.0 -0.091 95.9 103.1-120.6 31.0 -12.4 12.4 -2.2 78 85 A I + 0 0 46 7,-0.2 2,-0.4 5,-0.0 -2,-0.3 -0.985 43.5 180.0-120.4 120.1 -14.1 9.5 -4.3 79 86 A D B >> -C 84 0C 84 5,-1.9 5,-1.3 -2,-0.5 4,-0.6 -0.986 20.3-167.0-125.0 130.2 -16.2 10.5 -7.4 80 87 A W T 45S+ 0 0 105 -2,-0.4 -1,-0.1 3,-0.2 5,-0.0 0.755 92.8 46.6 -81.4 -32.6 -18.1 8.0 -9.7 81 88 A E T 45S+ 0 0 197 1,-0.1 -1,-0.1 3,-0.0 -2,-0.0 0.793 122.8 34.1 -79.3 -35.7 -18.8 10.6 -12.5 82 89 A N T 45S- 0 0 126 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.563 103.7-130.4 -94.7 -15.3 -15.2 12.1 -12.6 83 90 A K T <5 + 0 0 103 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.907 50.6 153.3 60.1 51.3 -13.4 8.6 -11.8 84 91 A R B < -C 79 0C 159 -5,-1.3 -5,-1.9 2,-0.0 2,-0.4 -0.942 23.2-172.7-113.3 128.8 -11.2 10.0 -8.9 85 92 A V - 0 0 15 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.988 3.5-165.4-124.5 130.7 -9.9 7.7 -6.0 86 93 A K - 0 0 129 -2,-0.4 2,-0.4 -16,-0.1 -9,-0.2 -0.961 2.4-164.3-121.7 137.0 -8.0 9.0 -2.9 87 94 A L 0 0 56 -2,-0.4 -73,-0.1 -10,-0.0 -17,-0.1 -0.980 360.0 360.0-122.8 130.9 -6.0 7.0 -0.3 88 95 A K 0 0 205 -2,-0.4 -15,-0.1 -19,-0.1 -2,-0.0 -0.880 360.0 360.0-107.5 360.0 -4.9 8.4 3.1