==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 08-MAY-98 1BDF . COMPND 2 MOLECULE: RNA POLYMERASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.ZHANG,S.A.DARST . 917 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 67.2 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 . 253 27.6 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 119 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 14.2 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 0 0 0 0 4 0 0 0 4 0 4 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 . 11 7 3 3 4 4 7 1 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 3 1 7 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 2 A Q 0 0 79 0, 0.0 321,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.2 36.8 12.7 26.8 2 3 A G + 0 0 68 321,-0.0 320,-0.0 2,-0.0 0, 0.0 0.943 360.0 168.7 -63.6 -46.9 34.3 9.8 26.8 3 4 A S + 0 0 56 1,-0.1 442,-0.0 3,-0.0 -1,-0.0 0.154 17.6 125.3 59.5 176.7 33.6 10.6 23.2 4 5 A V S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.832 73.0 -19.4 94.7 97.6 31.6 8.6 20.6 5 6 A T S S+ 0 0 108 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.939 70.2 125.3 47.9 106.1 28.6 9.9 18.5 6 7 A E + 0 0 119 1,-0.2 2,-0.2 0, 0.0 -1,-0.1 0.335 58.2 79.0-152.3 -25.2 26.7 13.0 19.7 7 8 A F S S- 0 0 32 24,-0.0 2,-0.8 442,-0.0 -1,-0.2 -0.643 85.2-109.8 -93.9 150.4 26.9 15.3 16.6 8 9 A L - 0 0 36 -2,-0.2 23,-0.7 -3,-0.1 -1,-0.0 -0.744 34.6-148.6 -82.3 110.4 24.8 15.0 13.5 9 10 A K - 0 0 49 -2,-0.8 2,-0.1 21,-0.1 444,-0.1 -0.625 12.3-130.1 -80.7 137.3 27.1 13.7 10.7 10 11 A P - 0 0 1 0, 0.0 446,-0.4 0, 0.0 2,-0.3 -0.437 21.9-169.3 -84.6 160.9 26.3 14.9 7.1 11 12 A R - 0 0 122 -2,-0.1 17,-1.8 444,-0.1 2,-0.6 -0.987 39.0 -86.6-149.9 151.3 26.0 12.8 4.0 12 13 A L E +A 27 0A 35 -2,-0.3 15,-0.3 444,-0.3 3,-0.1 -0.483 51.8 168.5 -60.7 110.5 25.7 13.3 0.3 13 14 A V E + 0 0 72 13,-3.3 2,-0.3 -2,-0.6 -1,-0.2 0.637 54.2 5.0-104.6 -15.7 22.0 13.7 -0.1 14 15 A D E -A 26 0A 85 12,-0.8 12,-1.8 2,-0.0 2,-0.4 -0.979 50.5-154.1-168.0 150.9 21.5 15.0 -3.6 15 16 A I E -A 25 0A 65 -2,-0.3 2,-0.7 10,-0.2 10,-0.2 -0.955 7.5-171.5-137.1 115.5 23.3 15.7 -6.9 16 17 A E E -A 24 0A 104 8,-1.8 2,-1.3 -2,-0.4 8,-0.8 -0.853 10.2-157.7-111.4 97.6 22.0 18.3 -9.4 17 18 A Q E -A 23 0A 100 -2,-0.7 6,-0.3 6,-0.2 3,-0.1 -0.611 8.6-174.8 -75.6 94.8 24.0 18.2 -12.6 18 19 A V S S- 0 0 78 -2,-1.3 2,-0.3 4,-1.2 5,-0.2 0.789 73.8 -26.9 -59.2 -25.8 23.4 21.7 -14.0 19 20 A S S S- 0 0 52 3,-2.0 3,-0.3 -3,-0.1 -1,-0.1 -0.876 87.6 -66.8-165.8-168.2 25.3 20.4 -17.0 20 21 A S S S+ 0 0 102 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.728 134.0 22.3 -68.6 -25.1 28.0 17.9 -18.0 21 22 A T S S+ 0 0 44 1,-0.1 181,-1.9 182,-0.1 2,-0.4 0.185 113.6 71.4-129.2 14.0 30.6 19.8 -16.0 22 23 A H E + B 0 201A 32 -3,-0.3 -3,-2.0 179,-0.3 -4,-1.2 -0.964 56.8 161.3-136.3 119.8 28.6 21.8 -13.5 23 24 A A E -AB 17 200A 3 177,-2.3 177,-3.1 -2,-0.4 2,-0.4 -0.834 33.2-138.7-133.5 169.0 26.9 20.2 -10.5 24 25 A K E -AB 16 199A 66 -8,-0.8 -8,-1.8 -2,-0.3 2,-0.3 -0.882 22.2-171.2-132.6 98.1 25.4 21.1 -7.1 25 26 A V E -AB 15 198A 0 173,-2.8 173,-2.9 -2,-0.4 2,-0.4 -0.683 4.5-160.6 -91.0 142.9 26.1 18.5 -4.4 26 27 A T E -AB 14 197A 19 -12,-1.8 -13,-3.3 -2,-0.3 -12,-0.8 -0.969 11.7-168.5-133.0 117.1 24.4 18.8 -1.0 27 28 A L E -AB 12 196A 0 169,-2.2 169,-2.1 -2,-0.4 -15,-0.2 -0.896 22.7-172.7 -96.2 128.5 25.5 17.2 2.3 28 29 A E E + 0 0 43 -17,-1.8 2,-0.6 -2,-0.5 -1,-0.2 0.962 52.1 68.8 -99.1 -73.6 22.6 17.5 4.7 29 30 A P E + 0 0 29 0, 0.0 2,-0.4 0, 0.0 166,-0.1 -0.330 65.2 160.8 -53.0 100.4 22.4 16.8 8.4 30 31 A L E - B 0 194A 0 164,-1.1 164,-3.3 -2,-0.6 155,-0.2 -0.963 35.9-137.3-130.8 115.6 24.7 19.6 9.5 31 32 A E E > - B 0 193A 19 -23,-0.7 3,-2.5 -2,-0.4 4,-0.4 -0.360 51.9 -72.2 -63.2 148.7 24.8 20.9 13.1 32 33 A R T 3 S+ 0 0 118 160,-0.8 -1,-0.2 1,-0.3 160,-0.0 -0.079 121.8 17.5 -45.9 136.3 25.0 24.7 13.2 33 34 A G T 3> S+ 0 0 39 -3,-0.1 4,-1.0 1,-0.1 -1,-0.3 0.200 100.1 94.6 86.4 -18.3 28.3 26.1 12.2 34 35 A F H <> + 0 0 7 -3,-2.5 4,-2.2 2,-0.2 5,-0.5 0.658 69.6 71.1 -80.6 -15.7 29.4 22.9 10.4 35 36 A G H > S+ 0 0 0 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.992 108.0 33.9 -61.1 -56.4 28.3 24.1 7.0 36 37 A H H > S+ 0 0 95 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.769 114.9 59.1 -69.5 -30.1 31.0 26.6 6.8 37 38 A T H X S+ 0 0 21 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.961 118.6 28.8 -66.6 -48.5 33.6 24.5 8.6 38 39 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.4 0.913 118.6 60.2 -75.7 -40.6 33.3 21.6 6.2 39 40 A G H X S+ 0 0 1 -4,-2.9 4,-1.9 -5,-0.5 -2,-0.2 0.840 111.4 38.3 -53.8 -41.8 32.5 24.0 3.3 40 41 A N H X S+ 0 0 59 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.797 116.0 52.9 -79.8 -34.1 35.7 26.0 3.7 41 42 A A H X S+ 0 0 2 -4,-1.3 4,-1.2 -5,-0.3 3,-0.3 0.971 116.7 38.3 -64.3 -52.7 37.8 22.8 4.4 42 43 A L H >X S+ 0 0 0 -4,-3.4 4,-3.1 1,-0.2 3,-0.8 0.939 109.9 59.0 -63.8 -50.4 36.5 21.1 1.3 43 44 A R H 3X S+ 0 0 89 -4,-1.9 4,-1.7 -5,-0.4 -1,-0.2 0.800 108.4 48.8 -51.9 -28.9 36.5 24.2 -1.0 44 45 A A H 3< S+ 0 0 26 -4,-1.1 -1,-0.3 -3,-0.3 5,-0.2 0.830 113.0 45.1 -80.8 -34.8 40.2 24.4 -0.2 45 46 A I H XX S+ 0 0 0 -4,-1.2 4,-3.2 -3,-0.8 3,-1.3 0.923 115.8 46.6 -72.4 -45.7 40.9 20.8 -1.0 46 47 A L H 3< S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.3 129,-0.2 0.928 110.5 53.9 -61.9 -45.1 38.8 20.8 -4.2 47 48 A L T 3< S+ 0 0 79 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.386 132.0 2.2 -73.8 5.8 40.4 24.0 -5.4 48 49 A S T <4 S+ 0 0 65 -3,-1.3 -2,-0.2 102,-0.1 -3,-0.2 0.533 120.8 56.9-163.3 -19.6 44.0 22.9 -5.1 49 50 A S S < S+ 0 0 8 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.330 70.0 118.7-111.1 9.2 44.6 19.3 -4.0 50 51 A M - 0 0 1 -4,-0.5 100,-0.9 -5,-0.4 125,-0.1 -0.526 53.7-143.2 -79.3 139.8 42.6 17.3 -6.6 51 52 A P + 0 0 20 0, 0.0 99,-0.3 0, 0.0 -1,-0.1 0.898 30.3 158.1 -63.9-108.4 44.6 14.9 -8.8 52 53 A G - 0 0 10 121,-0.2 96,-1.4 122,-0.1 2,-0.2 0.493 41.9 -97.1 82.9 133.9 43.5 14.6 -12.5 53 54 A C E -E 147 0B 10 36,-0.5 36,-0.3 94,-0.2 2,-0.3 -0.495 40.9-179.6 -81.3 147.9 45.3 13.4 -15.6 54 55 A A E -E 146 0B 7 92,-2.5 92,-3.3 -2,-0.2 2,-0.4 -0.996 33.6-107.5-152.8 146.5 46.9 15.8 -18.0 55 56 A V E +E 145 0B 2 29,-0.3 90,-0.3 -2,-0.3 116,-0.2 -0.595 39.3 165.6 -72.7 127.6 48.8 15.8 -21.3 56 57 A T E + 0 0 16 88,-2.4 112,-2.1 1,-0.4 2,-0.3 0.700 60.3 17.0-114.8 -32.8 52.4 16.7 -20.6 57 58 A E E -EF 144 167B 74 87,-0.9 87,-2.9 110,-0.3 -1,-0.4 -0.961 56.8-165.9-141.2 158.4 54.3 15.7 -23.8 58 59 A V E -E 143 0B 2 108,-2.3 2,-0.6 107,-0.4 85,-0.2 -0.994 7.9-158.2-147.3 138.2 53.4 15.0 -27.4 59 60 A E E -E 142 0B 77 83,-1.8 83,-1.5 -2,-0.3 2,-0.4 -0.887 15.6-174.1-122.9 96.9 55.5 13.4 -30.2 60 61 A I E > -E 141 0B 1 -2,-0.6 3,-1.0 81,-0.2 81,-0.2 -0.784 30.2-112.1 -93.3 133.9 54.2 14.3 -33.6 61 62 A D T 3 S+ 0 0 73 79,-2.1 79,-0.2 -2,-0.4 3,-0.1 -0.425 99.4 8.6 -65.2 131.8 55.7 12.6 -36.7 62 63 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.128 104.6 108.9 86.7 -22.6 57.7 15.0 -38.8 63 64 A V < + 0 0 3 -3,-1.0 -1,-0.2 1,-0.2 -3,-0.2 -0.773 33.4 164.9 -91.4 134.4 57.5 17.9 -36.3 64 65 A L + 0 0 125 -2,-0.4 102,-0.5 1,-0.3 2,-0.2 0.849 60.1 20.1-109.8 -58.9 60.5 18.9 -34.3 65 66 A H S > S- 0 0 120 100,-0.1 3,-1.5 1,-0.1 -1,-0.3 -0.668 76.1-110.4-113.5 165.8 60.1 22.3 -32.6 66 67 A E T 3 S+ 0 0 101 1,-0.3 12,-0.5 -2,-0.2 11,-0.1 0.790 113.4 72.3 -64.3 -25.7 57.0 24.3 -31.7 67 68 A Y T 3 S+ 0 0 211 10,-0.1 -1,-0.3 11,-0.1 2,-0.1 0.467 80.7 102.5 -69.6 -1.8 58.0 26.8 -34.4 68 69 A S < - 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