==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE BINDING PROTEIN 19-OCT-09 3KB1 . COMPND 2 MOLECULE: NUCLEOTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR F.FOROUHAR,S.LEW,M.ABASHIDZE,J.SEETHARAMAN,M.MAO,R.XIAO, . 486 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22004.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 2 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 . 56 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 2 0 2 0 2 4 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 2 6 4 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 . 2 2 4 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 2 0 0 0 0 0 2 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 0 241 0, 0.0 104,-0.0 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 -32.1 -33.3 8.7 9.2 2 5 A V - 0 0 5 99,-0.2 5,-0.1 1,-0.1 107,-0.1 -0.250 360.0-114.5 -53.0 127.7 -30.7 10.1 6.8 3 6 A T >> - 0 0 66 1,-0.1 3,-1.1 105,-0.1 4,-0.9 -0.273 18.3-118.3 -64.2 151.0 -31.9 9.8 3.2 4 7 A D T 34 S+ 0 0 130 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.550 119.2 46.7 -67.8 -6.8 -29.9 7.5 0.9 5 8 A E T 3> S+ 0 0 144 2,-0.1 4,-0.8 1,-0.1 -1,-0.3 0.461 98.5 70.1-109.3 -7.8 -29.1 10.6 -1.2 6 9 A D H <> S+ 0 0 58 -3,-1.1 4,-0.6 1,-0.2 -2,-0.2 0.749 93.0 57.3 -78.3 -27.9 -28.2 12.6 1.8 7 10 A I H >X S+ 0 0 13 -4,-0.9 4,-3.1 1,-0.2 3,-1.5 0.914 95.2 68.0 -67.6 -44.1 -25.1 10.5 2.2 8 11 A K H 3> S+ 0 0 131 -4,-0.3 4,-1.1 1,-0.3 -2,-0.2 0.872 101.3 43.9 -41.2 -56.9 -24.0 11.5 -1.3 9 12 A E H 3< S+ 0 0 117 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.688 116.6 50.7 -65.6 -20.5 -23.4 15.2 -0.4 10 13 A R H X< S+ 0 0 50 -3,-1.5 3,-1.2 -4,-0.6 -2,-0.2 0.920 112.9 41.0 -82.8 -51.5 -21.6 14.0 2.8 11 14 A L H >< S+ 0 0 24 -4,-3.1 3,-1.4 1,-0.3 -2,-0.2 0.596 92.9 87.4 -73.9 -8.1 -19.2 11.5 1.2 12 15 A D T 3< S+ 0 0 108 -4,-1.1 -1,-0.3 -5,-0.4 -2,-0.1 0.584 89.6 50.8 -66.8 -6.8 -18.6 13.9 -1.7 13 16 A K T < S+ 0 0 97 -3,-1.2 2,-0.7 100,-0.1 102,-0.6 0.516 91.1 88.8-103.9 -12.1 -15.9 15.4 0.5 14 17 A I E < -a 115 0A 13 -3,-1.4 102,-0.2 -4,-0.2 3,-0.1 -0.790 61.7-162.2 -91.1 112.9 -14.3 12.0 1.2 15 18 A G E S+ 0 0 19 100,-1.7 2,-0.3 -2,-0.7 102,-0.2 0.843 72.7 6.0 -62.1 -38.5 -11.7 11.2 -1.5 16 19 A F E -a 117 0A 22 100,-2.1 102,-1.9 227,-0.2 2,-0.6 -0.967 60.8-151.0-151.9 133.9 -11.4 7.4 -0.8 17 20 A R E -a 118 0A 37 -2,-0.3 123,-2.0 100,-0.2 124,-1.7 -0.915 16.8-173.1-110.7 116.0 -13.3 5.0 1.4 18 21 A I E -ab 119 141A 0 100,-1.5 102,-2.7 -2,-0.6 2,-0.4 -0.877 8.0-155.3-109.9 138.7 -11.4 1.9 2.6 19 22 A A E -ab 120 142A 0 122,-1.8 124,-3.2 -2,-0.4 2,-0.6 -0.936 2.5-154.4-115.0 136.1 -13.0 -1.0 4.5 20 23 A V E +ab 121 143A 0 100,-2.6 102,-0.8 -2,-0.4 2,-0.2 -0.930 23.6 169.6-114.2 109.3 -11.0 -3.3 6.9 21 24 A X E - b 0 144A 2 122,-1.8 124,-2.1 -2,-0.6 2,-0.3 -0.560 13.3-163.2-111.7 176.3 -12.5 -6.8 7.3 22 25 A S E -Cb 125 145A 1 103,-0.6 103,-1.0 101,-0.4 124,-0.2 -0.992 35.0-119.0-158.2 152.1 -11.3 -10.1 8.9 23 26 A G S S- 0 0 18 122,-0.6 103,-0.4 -2,-0.3 2,-0.3 0.679 95.3 -33.8 -67.2 -13.1 -12.2 -13.8 8.9 24 27 A K S S- 0 0 105 101,-0.2 101,-0.3 102,-0.0 3,-0.2 -0.956 81.0 -58.7-177.9-166.7 -12.8 -13.3 12.6 25 28 A G S S+ 0 0 40 -2,-0.3 2,-0.1 1,-0.2 246,-0.0 -0.414 104.9 39.6 -92.0 174.4 -11.8 -11.5 15.8 26 29 A G S S+ 0 0 73 -2,-0.1 -1,-0.2 1,-0.1 120,-0.1 0.074 82.4 105.7 78.4 -27.0 -8.4 -11.5 17.5 27 30 A V S S- 0 0 3 -3,-0.2 149,-0.1 118,-0.1 119,-0.1 0.723 97.8-110.5 -56.0 -23.3 -6.8 -11.3 14.0 28 31 A G > + 0 0 15 117,-0.1 4,-1.1 3,-0.0 118,-0.1 0.903 63.7 152.0 88.9 53.4 -6.1 -7.6 14.8 29 32 A K H > S+ 0 0 10 2,-0.2 4,-2.4 -5,-0.2 93,-0.1 0.882 73.5 44.7 -78.0 -44.8 -8.5 -5.8 12.5 30 33 A S H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.832 112.6 51.8 -69.9 -37.7 -9.0 -2.7 14.5 31 34 A T H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 111.7 46.9 -67.1 -43.9 -5.3 -2.3 15.3 32 35 A V H X S+ 0 0 1 -4,-1.1 4,-1.8 2,-0.2 5,-0.3 0.958 109.2 54.5 -61.6 -48.1 -4.4 -2.6 11.7 33 36 A T H >X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 3,-0.8 0.944 107.5 52.0 -47.0 -52.7 -7.2 -0.0 10.9 34 37 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.882 108.7 49.2 -50.8 -47.4 -5.5 2.3 13.4 35 38 A L H 3X S+ 0 0 6 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.743 109.7 50.8 -66.3 -28.3 -2.1 1.9 11.7 36 39 A L H S+ 0 0 6 -4,-1.6 5,-1.5 2,-0.2 -2,-0.2 0.730 115.3 52.5 -70.5 -28.9 -2.1 8.3 6.0 41 44 A A H ><5S+ 0 0 12 -4,-1.7 3,-2.9 1,-0.2 -2,-0.2 0.948 104.0 54.3 -74.0 -50.3 -2.2 11.0 8.7 42 45 A K T 3<5S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.679 102.2 61.7 -58.1 -17.4 1.5 11.2 9.2 43 46 A Q T 3 5S- 0 0 80 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.354 125.8-101.4 -90.2 6.3 1.8 11.8 5.5 44 47 A G T < 5S+ 0 0 68 -3,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.325 79.9 135.5 93.3 -8.9 -0.2 14.9 5.8 45 48 A K < - 0 0 48 -5,-1.5 2,-0.7 -6,-0.1 -1,-0.3 -0.392 60.8-116.7 -74.0 152.2 -3.5 13.4 4.6 46 49 A K - 0 0 111 -3,-0.1 71,-2.0 -2,-0.1 70,-1.0 -0.815 39.9-169.0 -90.0 116.1 -6.8 14.0 6.4 47 50 A V E -d 117 0A 5 -2,-0.7 41,-1.6 69,-0.2 2,-0.4 -0.787 13.8-170.3-110.3 150.1 -8.0 10.7 7.7 48 51 A G E -de 118 88A 0 69,-1.6 71,-3.3 -2,-0.3 2,-0.4 -0.998 6.9-157.3-136.7 138.5 -11.3 9.7 9.2 49 52 A I E -de 119 89A 0 39,-3.3 41,-2.1 -2,-0.4 2,-0.6 -0.965 2.4-163.4-117.4 135.2 -12.1 6.4 11.0 50 53 A L E -de 120 90A 3 69,-2.8 71,-1.0 -2,-0.4 2,-0.7 -0.786 16.9-145.9-117.2 87.0 -15.7 5.0 11.3 51 54 A D E +de 121 91A 1 39,-1.1 41,-0.5 -2,-0.6 71,-0.1 -0.350 28.6 167.0 -58.2 101.1 -15.7 2.4 14.0 52 55 A A + 0 0 1 69,-1.5 2,-0.9 -2,-0.7 3,-0.2 0.023 41.5 107.2-103.8 21.1 -18.3 -0.1 12.7 53 56 A D + 0 0 10 69,-0.2 6,-0.1 1,-0.2 69,-0.1 -0.781 34.2 165.5-105.3 86.1 -17.3 -2.9 15.2 54 57 A F S S+ 0 0 62 -2,-0.9 -1,-0.2 1,-0.2 68,-0.0 0.863 71.5 62.5 -67.5 -38.2 -20.2 -3.0 17.6 55 58 A L S S+ 0 0 133 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.938 127.8 0.2 -53.5 -55.6 -19.2 -6.3 19.0 56 59 A G S S- 0 0 35 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.634 71.4-163.4-142.8 84.0 -15.8 -5.1 20.3 57 60 A P + 0 0 31 0, 0.0 4,-0.2 0, 0.0 -3,-0.1 -0.529 26.7 152.2 -71.5 103.7 -15.0 -1.4 19.8 58 61 A S > + 0 0 45 -2,-0.8 4,-1.2 2,-0.1 -7,-0.0 0.440 49.7 86.9-111.6 -4.6 -11.3 -1.0 20.3 59 62 A I H >> S+ 0 0 0 1,-0.2 3,-1.1 2,-0.2 4,-1.0 0.973 89.0 47.7 -63.5 -52.7 -10.7 2.0 18.1 60 63 A P H 34>S+ 0 0 2 0, 0.0 5,-3.2 0, 0.0 3,-0.5 0.875 112.4 52.2 -56.5 -33.2 -11.5 4.7 20.7 61 64 A H H >45S+ 0 0 72 1,-0.2 3,-0.7 3,-0.2 -2,-0.2 0.733 101.2 59.6 -74.8 -22.6 -9.2 2.9 23.2 62 65 A L H <<5S+ 0 0 6 -4,-1.2 165,-2.0 -3,-1.1 166,-0.2 0.732 111.6 40.4 -74.7 -26.4 -6.2 2.7 20.8 63 66 A F T 3<5S- 0 0 1 -4,-1.0 20,-0.4 -3,-0.5 -1,-0.2 0.017 116.6-107.7-111.0 21.6 -6.1 6.5 20.5 64 67 A G T < 5S+ 0 0 23 -3,-0.7 3,-0.3 158,-0.2 -3,-0.2 0.851 72.7 143.1 53.7 38.8 -6.9 7.3 24.2 65 68 A L < + 0 0 2 -5,-3.2 -4,-0.2 -6,-0.2 -1,-0.1 -0.171 15.0 127.2-101.0 37.6 -10.4 8.5 23.3 66 69 A E + 0 0 122 1,-0.3 2,-1.7 -6,-0.1 -1,-0.2 0.597 52.3 91.3 -68.6 -8.8 -12.1 7.1 26.4 67 70 A K - 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