==== 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 LIGAND BINDING PROTEIN 10-APR-07 2PH1 . COMPND 2 MOLECULE: NUCLEOTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS DSM 4304; . AUTHOR F.FOROUHAR,M.ABASHIDZE,J.SEETHARAMAN,H.JANJUA,Y.FANG,R.XIAO, . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0.4 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 . 23 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 1 2 1 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 3 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 PARALLEL BRIDGES PER LADDER . 0 2 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 . 0 2 0 0 0 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 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 4 A R 0 0 250 0, 0.0 111,-0.0 0, 0.0 115,-0.0 0.000 360.0 360.0 360.0 -37.4 11.7 10.2 14.7 2 5 A V - 0 0 10 110,-0.1 2,-0.2 1,-0.1 114,-0.1 -0.143 360.0-148.6 -51.6 140.2 10.9 12.3 17.8 3 6 A T >> - 0 0 54 1,-0.1 4,-2.0 113,-0.1 3,-0.7 -0.696 23.9-107.4-112.2 166.6 11.6 16.0 17.2 4 7 A D H 3> S+ 0 0 108 1,-0.3 4,-3.1 -2,-0.2 5,-0.3 0.899 118.0 55.0 -56.5 -47.7 12.6 18.9 19.5 5 8 A E H 3> S+ 0 0 129 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.776 110.8 48.5 -60.1 -24.9 9.2 20.6 19.4 6 9 A E H <> S+ 0 0 59 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.844 112.1 46.2 -82.8 -36.9 7.7 17.3 20.6 7 10 A I H X S+ 0 0 6 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.911 113.2 50.3 -69.9 -41.7 10.2 16.8 23.4 8 11 A K H X S+ 0 0 155 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.879 107.6 53.3 -63.6 -39.6 9.8 20.4 24.6 9 12 A E H < S+ 0 0 116 -4,-1.2 4,-0.5 -5,-0.3 -1,-0.2 0.865 114.7 42.1 -64.5 -35.5 6.0 20.0 24.6 10 13 A R H >< S+ 0 0 55 -4,-1.4 3,-2.0 2,-0.2 4,-0.3 0.979 115.5 45.4 -74.1 -60.4 6.3 16.9 26.8 11 14 A L H >< S+ 0 0 7 -4,-2.8 3,-2.5 1,-0.3 -2,-0.2 0.811 99.8 71.0 -55.1 -33.6 9.0 18.1 29.2 12 15 A G T 3< S+ 0 0 47 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.849 89.4 62.8 -53.8 -31.7 7.2 21.4 29.6 13 16 A K T < S+ 0 0 106 -3,-2.0 2,-0.5 -4,-0.5 -1,-0.3 0.712 89.9 84.2 -67.0 -19.1 4.5 19.5 31.5 14 17 A I < - 0 0 1 -3,-2.5 113,-0.2 -4,-0.3 3,-0.1 -0.766 64.8-159.7 -90.8 124.1 7.2 18.7 34.1 15 18 A K S S+ 0 0 156 111,-0.8 2,-0.4 -2,-0.5 112,-0.2 0.828 78.6 31.0 -69.3 -36.3 7.9 21.3 36.8 16 19 A S - 0 0 18 110,-0.3 113,-2.5 2,-0.0 2,-0.6 -0.977 56.9-176.0-132.8 124.5 11.3 20.0 37.8 17 20 A R E +a 129 0A 45 -2,-0.4 134,-2.8 111,-0.2 135,-1.3 -0.837 13.1 179.9-119.0 93.1 13.9 18.3 35.7 18 21 A I E -ab 130 152A 9 111,-1.4 113,-2.3 -2,-0.6 2,-0.4 -0.827 10.9-158.6 -97.2 117.7 16.9 17.2 37.8 19 22 A A E -ab 131 153A 0 133,-2.1 135,-2.5 -2,-0.6 2,-0.5 -0.774 6.0-150.4 -95.7 141.4 19.7 15.4 36.1 20 23 A V E +ab 132 154A 1 111,-3.0 113,-1.9 -2,-0.4 2,-0.2 -0.947 24.3 162.1-115.5 126.2 22.1 13.3 38.1 21 24 A X E + b 0 155A 0 133,-2.4 135,-1.9 -2,-0.5 2,-0.3 -0.688 11.4 173.5-131.2-174.6 25.7 12.8 37.1 22 25 A S - 0 0 0 114,-0.5 114,-2.3 112,-0.3 135,-0.1 -0.971 38.9 -66.9-179.3 171.2 29.1 11.7 38.3 23 26 A G S S- 0 0 3 133,-0.4 113,-0.8 138,-0.4 3,-0.4 -0.026 71.8 -74.1 -65.3 176.7 32.7 10.9 37.4 24 27 A K S S+ 0 0 188 111,-0.2 -1,-0.1 1,-0.2 137,-0.0 0.813 132.7 56.0 -42.5 -39.3 33.7 7.9 35.3 25 28 A G S S- 0 0 45 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.973 75.7-169.9 -60.8 -56.6 33.0 5.6 38.2 26 29 A G >> + 0 0 14 -3,-0.4 3,-1.5 1,-0.2 2,-0.7 0.695 19.0 170.5 70.9 19.6 29.4 6.7 38.8 27 30 A V T 34 S+ 0 0 67 1,-0.3 -1,-0.2 2,-0.1 160,-0.2 -0.513 70.8 3.5 -69.3 107.2 29.5 4.7 42.1 28 31 A G T 3> S+ 0 0 13 -2,-0.7 4,-2.6 -3,-0.1 -1,-0.3 0.276 97.5 115.6 100.4 -9.4 26.4 5.6 44.0 29 32 A K H <> S+ 0 0 0 -3,-1.5 4,-2.1 2,-0.2 5,-0.1 0.981 81.5 38.1 -55.2 -61.6 25.0 7.7 41.2 30 33 A S H X S+ 0 0 7 -4,-0.6 4,-1.8 1,-0.2 5,-0.2 0.931 116.0 51.3 -56.8 -49.5 22.0 5.5 40.5 31 34 A T H > S+ 0 0 36 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.887 110.8 50.2 -57.0 -39.4 21.3 4.6 44.2 32 35 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.873 107.0 55.6 -66.2 -35.8 21.4 8.3 45.0 33 36 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.853 110.8 43.7 -66.1 -32.6 19.0 9.0 42.2 34 37 A A H X S+ 0 0 0 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.923 111.8 52.4 -75.9 -46.2 16.5 6.5 43.7 35 38 A L H X S+ 0 0 11 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.894 112.5 47.1 -56.1 -40.0 17.0 7.8 47.2 36 39 A L H X S+ 0 0 13 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.951 111.5 49.2 -67.2 -49.3 16.2 11.3 45.9 37 40 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.934 112.2 49.0 -55.4 -45.7 13.2 10.1 44.0 38 41 A V H X S+ 0 0 5 -4,-3.5 4,-2.2 2,-0.2 -1,-0.2 0.777 105.2 60.4 -63.4 -29.2 12.0 8.3 47.1 39 42 A H H X S+ 0 0 18 -4,-1.4 4,-0.8 -3,-0.3 -1,-0.2 0.985 112.2 36.4 -61.7 -56.0 12.6 11.5 49.1 40 43 A Y H ><>S+ 0 0 44 -4,-2.1 5,-1.8 2,-0.2 3,-0.6 0.881 115.4 53.7 -64.3 -43.2 10.1 13.4 46.9 41 44 A A H ><5S+ 0 0 13 -4,-2.6 3,-2.5 1,-0.3 -1,-0.2 0.951 106.6 52.2 -58.3 -49.2 7.6 10.6 46.5 42 45 A R H 3<5S+ 0 0 79 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.736 101.6 63.2 -59.0 -23.1 7.4 10.1 50.3 43 46 A Q T <<5S- 0 0 108 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.403 124.4-103.2 -81.5 1.5 6.7 13.9 50.4 44 47 A G T < 5S+ 0 0 73 -3,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.693 79.0 135.0 85.0 18.7 3.5 13.3 48.5 45 48 A K < - 0 0 79 -5,-1.8 2,-0.8 -4,-0.2 -1,-0.3 -0.596 64.8-105.3 -97.6 160.5 4.9 14.7 45.2 46 49 A K - 0 0 100 -2,-0.2 82,-1.4 79,-0.2 81,-0.5 -0.792 46.0-169.5 -90.3 110.1 4.5 13.1 41.8 47 50 A V E +c 128 0A 5 -2,-0.8 41,-2.0 38,-0.2 2,-0.3 -0.806 13.9 176.3-107.5 142.3 7.9 11.5 41.0 48 51 A G E -cd 129 88A 0 80,-2.0 82,-2.7 -2,-0.3 2,-0.4 -0.996 10.3-159.9-141.6 144.5 9.3 10.1 37.8 49 52 A I E -cd 130 89A 0 39,-2.7 41,-1.8 -2,-0.3 2,-0.4 -0.989 3.2-158.0-128.9 134.9 12.7 8.6 36.8 50 53 A L E -cd 131 90A 0 80,-2.5 82,-2.3 -2,-0.4 2,-0.7 -0.911 14.9-139.5-111.1 134.8 14.2 8.2 33.4 51 54 A D E +c 132 0A 4 39,-3.1 41,-0.1 -2,-0.4 82,-0.1 -0.847 36.6 153.3 -97.7 118.0 17.0 5.7 32.9 52 55 A A + 0 0 1 80,-1.7 2,-0.9 -2,-0.7 -1,-0.1 0.141 28.7 125.0-127.4 19.2 19.7 7.0 30.6 53 56 A D - 0 0 22 80,-0.2 5,-0.1 1,-0.2 39,-0.1 -0.714 41.6-166.2 -89.1 104.2 22.7 4.9 31.9 54 57 A F S S+ 0 0 52 -2,-0.9 2,-1.3 1,-0.2 51,-0.6 0.818 77.5 75.8 -53.4 -35.3 24.3 3.0 29.0 55 58 A L S S- 0 0 110 1,-0.2 3,-0.3 49,-0.1 -1,-0.2 -0.668 115.9 -47.1 -86.2 89.4 26.2 1.0 31.6 56 59 A G - 0 0 28 -2,-1.3 2,-1.5 1,-0.2 -1,-0.2 0.639 66.2 -91.3 60.7 138.8 23.7 -1.4 33.0 57 60 A P > + 0 0 12 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 -0.596 51.0 165.8 -84.1 83.2 20.1 -0.6 34.2 58 61 A S H >> + 0 0 43 -2,-1.5 4,-2.3 -3,-0.3 3,-1.6 0.965 67.6 56.9 -61.6 -56.4 20.7 0.2 37.9 59 62 A I H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.887 103.8 50.4 -44.5 -57.8 17.4 1.8 38.6 60 63 A P H 34>S+ 0 0 1 0, 0.0 5,-3.1 0, 0.0 -1,-0.3 0.775 113.7 49.5 -57.7 -21.9 15.1 -1.0 37.6 61 64 A I H X<5S+ 0 0 55 -3,-1.6 3,-1.3 -4,-0.7 -2,-0.2 0.908 107.3 52.3 -79.6 -43.9 17.4 -3.2 39.8 62 65 A L H 3<5S+ 0 0 9 -4,-2.3 176,-1.8 1,-0.3 177,-0.3 0.832 115.6 41.4 -60.2 -33.7 17.1 -0.9 42.8 63 66 A F T 3<5S- 0 0 3 -4,-2.2 20,-0.4 -5,-0.2 -1,-0.3 0.363 111.2-120.0 -97.4 6.7 13.3 -0.9 42.6 64 67 A G T < 5 + 0 0 15 -3,-1.3 2,-1.6 -5,-0.2 3,-0.3 0.921 46.7 170.3 57.9 45.8 13.1 -4.6 41.9 65 68 A L < + 0 0 5 -5,-3.1 -1,-0.2 1,-0.2 -3,-0.1 -0.543 16.2 145.8 -89.6 74.5 11.4 -4.1 38.5 66 69 A R + 0 0 83 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.814 68.1 61.9 -76.8 -32.5 11.6 -7.7 37.2 67 70 A N S S+ 0 0 117 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.981 74.8 166.3 -54.3 -57.1 8.2 -7.4 35.5 68 71 A A + 0 0 3 1,-0.2 2,-0.5 -8,-0.1 31,-0.2 0.871 10.6 159.6 40.4 61.5 9.8 -4.6 33.4 69 72 A R - 0 0 177 27,-0.1 2,-0.4 28,-0.1 -1,-0.2 -0.943 32.7-143.2-118.5 129.8 7.1 -4.4 30.6 70 73 A I - 0 0 44 24,-0.8 2,-0.3 -2,-0.5 7,-0.0 -0.722 21.0-178.9 -89.1 128.4 6.6 -1.5 28.3 71 74 A A E -H 78 0B 54 7,-0.8 7,-3.7 -2,-0.4 2,-0.4 -0.856 14.5-143.6-122.4 161.3 3.0 -0.6 27.3 72 75 A V E +H 77 0B 109 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.984 19.4 172.0-131.5 127.7 1.6 2.1 25.0 73 76 A S E > -H 76 0B 44 3,-2.6 3,-1.4 -2,-0.4 49,-0.0 -0.476 55.7 -80.0-114.8-170.9 -1.5 4.2 25.4 74 77 A A T 3 S+ 0 0 113 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.741 131.2 53.3 -64.4 -23.9 -3.0 7.1 23.6 75 78 A E T 3 S- 0 0 125 1,-0.3 2,-0.3 47,-0.1 -1,-0.3 0.521 119.1-106.9 -89.8 -5.5 -0.7 9.3 25.6 76 79 A G E < S+H 73 0B 13 -3,-1.4 -3,-2.6 46,-0.1 -1,-0.3 -0.789 72.8 7.9 119.0-163.9 2.4 7.4 24.6 77 80 A L E S-Hi 72 121B 42 43,-2.6 45,-3.1 -2,-0.3 -5,-0.3 -0.391 72.1-132.3 -60.1 126.6 4.8 4.9 26.3 78 81 A E E -H 71 0B 69 -7,-3.7 -7,-0.8 43,-0.2 2,-0.1 -0.694 15.9-135.5 -85.5 124.0 3.5 4.0 29.7 79 82 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 11,-0.2 -0.481 20.0-112.9 -80.3 152.8 5.9 4.1 32.5 80 83 A V E -E 89 0A 26 9,-1.9 9,-1.0 -2,-0.1 2,-0.2 -0.712 30.4-131.7 -85.0 126.6 6.1 1.2 35.1 81 84 A L E -E 88 0A 106 -2,-0.5 7,-0.2 7,-0.2 5,-0.1 -0.561 22.6-109.6 -80.9 141.4 5.1 2.3 38.6 82 85 A T > - 0 0 6 5,-1.8 4,-1.2 -2,-0.2 -1,-0.1 -0.360 28.4-116.6 -66.4 147.6 7.2 1.4 41.5 83 86 A Q T 4 S+ 0 0 134 -20,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.725 104.8 21.3 -58.5 -26.8 5.8 -1.2 43.8 84 87 A K T 4 S+ 0 0 120 3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.786 134.2 24.4-114.6 -37.8 5.5 1.1 46.9 85 88 A Y T 4 S- 0 0 63 2,-0.1 -38,-0.2 -38,-0.0 -2,-0.1 0.385 92.0-123.3-111.4 1.5 5.4 4.8 45.9 86 89 A G < + 0 0 35 -4,-1.2 2,-0.4 1,-0.2 -39,-0.1 0.900 45.4 171.1 58.5 41.3 4.2 4.6 42.4 87 90 A I - 0 0 1 -41,-0.1 -5,-1.8 1,-0.0 2,-0.3 -0.712 35.5-119.2 -83.2 133.7 7.1 6.4 41.0 88 91 A K E -dE 48 81A 54 -41,-2.0 -39,-2.7 -2,-0.4 2,-0.4 -0.560 35.3-170.2 -73.7 135.2 7.1 6.3 37.1 89 92 A V E -dE 49 80A 0 -9,-1.0 -9,-1.9 -2,-0.3 2,-0.4 -0.985 16.3-176.6-136.2 137.7 10.1 4.6 35.6 90 93 A X E +d 50 0A 0 -41,-1.8 -39,-3.1 -2,-0.4 2,-0.3 -0.986 16.8 160.5-132.8 125.5 11.5 4.2 32.1 91 94 A S > - 0 0 1 -2,-0.4 3,-0.9 -41,-0.2 4,-0.2 -0.953 50.0-120.6-139.9 158.6 14.5 2.1 31.3 92 95 A X G > S+ 0 0 18 -2,-0.3 3,-2.3 1,-0.2 4,-0.4 0.843 110.3 70.5 -65.0 -32.9 16.2 0.5 28.3 93 96 A Q G > S+ 0 0 3 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.814 85.5 67.0 -53.9 -33.3 15.8 -2.8 30.2 94 97 A F G < S+ 0 0 1 -3,-0.9 -24,-0.8 1,-0.2 -1,-0.3 0.634 82.5 74.9 -67.1 -11.9 12.1 -2.6 29.7 95 98 A L G < S+ 0 0 66 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.822 103.0 38.6 -69.9 -29.1 12.5 -3.2 25.9 96 99 A L S X S+ 0 0 74 -3,-1.3 3,-1.5 -4,-0.4 -1,-0.3 -0.664 72.7 167.8-120.3 73.2 13.3 -6.9 26.5 97 100 A P T 3 + 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 68.9 63.3 -54.9 -38.1 10.8 -7.8 29.4 98 101 A K T 3 S+ 0 0 193 2,-0.1 2,-0.5 0, 0.0 -30,-0.1 0.385 81.3 102.4 -75.7 7.1 11.2 -11.6 29.2 99 102 A E < - 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