==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-AUG-01 1JQL . COMPND 2 MOLECULE: DNA POLYMERASE III, BETA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.JERUZALMI,O.YURIEVA,Y.ZHAO,M.YOUNG,J.STEWART,M.HINGORANI, . 506 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 27.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 . 1 0.2 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 . 54 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 17.4 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+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 1 1 0 3 2 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 4 0 0 4 7 6 1 0 0 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 . 1 0 0 3 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 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 M 0 0 15 0, 0.0 91,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.2 -34.5 38.9 14.4 2 2 A K E +AB 64 91A 91 62,-2.4 62,-3.3 89,-0.2 2,-0.3 -0.966 360.0 163.0-163.6 142.1 -34.2 36.7 11.3 3 3 A F E - B 0 90A 0 87,-2.2 87,-2.8 -2,-0.3 2,-0.4 -0.976 23.2-145.7-158.0 160.7 -31.7 35.9 8.7 4 4 A T E + B 0 89A 40 -2,-0.3 57,-0.4 85,-0.3 2,-0.4 -0.985 24.7 177.6-135.3 123.9 -30.9 33.2 6.0 5 5 A V E - B 0 88A 8 83,-2.0 83,-2.0 -2,-0.4 5,-0.1 -0.984 37.3-110.4-137.4 132.4 -27.3 32.4 5.2 6 6 A E E >> - B 0 87A 72 -2,-0.4 3,-1.7 81,-0.3 4,-1.3 -0.313 39.5-122.3 -51.1 131.6 -25.5 29.9 2.8 7 7 A R H 3> S+ 0 0 21 79,-3.0 4,-1.0 1,-0.3 -1,-0.2 0.779 109.0 62.0 -49.7 -29.5 -24.0 27.4 5.3 8 8 A E H 3> S+ 0 0 59 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.788 100.5 49.6 -71.5 -29.3 -20.6 28.2 3.9 9 9 A H H <4 S+ 0 0 115 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.0 46.6 -77.5 -34.6 -20.6 31.9 4.8 10 10 A L H X S+ 0 0 0 -4,-1.3 4,-1.8 1,-0.1 -2,-0.2 0.626 100.1 68.7 -83.6 -14.8 -21.6 31.2 8.4 11 11 A L H X S+ 0 0 25 -4,-1.0 4,-2.3 2,-0.2 5,-0.2 0.972 95.3 48.7 -70.4 -55.2 -19.1 28.4 9.1 12 12 A K H X S+ 0 0 150 -4,-0.7 4,-0.9 1,-0.2 -1,-0.1 0.939 118.6 40.8 -49.5 -56.5 -15.8 30.2 9.1 13 13 A P H >> S+ 0 0 9 0, 0.0 4,-2.5 0, 0.0 3,-0.8 0.908 110.0 55.9 -59.1 -50.1 -17.1 33.0 11.5 14 14 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.3 -2,-0.2 0.913 111.3 47.2 -51.4 -41.9 -19.1 30.7 13.8 15 15 A Q H 3< S+ 0 0 118 -4,-2.3 -1,-0.3 -5,-0.2 -3,-0.1 0.724 111.9 51.4 -72.8 -22.6 -15.8 28.9 14.2 16 16 A Q H X< S+ 0 0 31 -4,-0.9 3,-0.5 -3,-0.8 -2,-0.2 0.911 110.8 42.0 -82.9 -44.8 -13.8 32.1 14.8 17 17 A V H 3< S+ 0 0 3 -4,-2.5 2,-1.3 1,-0.3 36,-0.2 0.903 118.5 44.5 -70.4 -44.3 -15.9 33.8 17.5 18 18 A S T 3< S+ 0 0 12 -4,-1.4 -1,-0.3 -5,-0.4 15,-0.0 -0.566 98.0 120.8 -95.9 65.2 -16.5 30.6 19.6 19 19 A G < + 0 0 22 -2,-1.3 -2,-0.1 -3,-0.5 -1,-0.1 0.745 66.4 11.1 -96.6-103.5 -12.9 29.9 19.1 20 20 A P S S+ 0 0 74 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.384 108.1 90.2 -64.7 5.8 -10.1 29.4 21.7 21 21 A L + 0 0 63 1,-0.1 27,-0.1 -4,-0.1 10,-0.1 -0.254 35.2 106.0 -88.1-173.6 -12.7 29.2 24.5 22 22 A G + 0 0 73 2,-0.1 -1,-0.1 -2,-0.1 9,-0.0 0.680 39.0 118.0 113.4 22.8 -14.3 26.0 25.6 23 23 A G S S- 0 0 72 1,-0.2 -2,-0.1 -3,-0.0 0, 0.0 0.958 91.2 -49.1 -78.5 -69.3 -12.6 25.2 28.9 24 24 A R - 0 0 221 3,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.875 60.0 -97.8-166.3 133.3 -15.7 25.4 31.1 25 25 A P - 0 0 94 0, 0.0 4,-0.1 0, 0.0 6,-0.1 -0.427 32.0-172.1 -60.1 112.6 -18.4 28.0 31.3 26 26 A T S S+ 0 0 119 -2,-0.5 3,-0.1 1,-0.3 22,-0.0 0.840 86.0 17.1 -70.1 -29.6 -17.1 30.0 34.2 27 27 A L S S- 0 0 91 1,-0.1 3,-0.4 -3,-0.1 4,-0.3 -0.986 83.4-124.1-139.9 144.4 -20.5 31.6 33.7 28 28 A P S > S+ 0 0 93 0, 0.0 3,-2.5 0, 0.0 4,-0.1 0.948 111.5 51.5 -50.7 -60.1 -23.5 30.3 31.7 29 29 A I G > S+ 0 0 16 1,-0.3 3,-2.0 2,-0.2 41,-0.1 0.801 98.7 69.1 -50.9 -32.8 -23.8 33.3 29.4 30 30 A L G 3 S+ 0 0 16 -3,-0.4 17,-0.3 1,-0.3 -1,-0.3 0.623 90.9 59.3 -65.6 -13.6 -20.1 33.0 28.6 31 31 A G G < S+ 0 0 24 -3,-2.5 41,-2.4 -4,-0.3 42,-0.5 0.323 97.3 88.3 -95.1 8.2 -20.7 29.8 26.7 32 32 A N E < -E 71 0B 15 -3,-2.0 2,-0.4 39,-0.3 15,-0.4 -0.772 68.6-137.9-111.4 153.2 -23.0 31.8 24.4 33 33 A L E -E 70 0B 1 37,-2.7 37,-2.2 -2,-0.3 2,-0.5 -0.836 20.4-131.1-103.2 141.3 -22.6 33.8 21.2 34 34 A L E -EF 69 45B 2 11,-2.3 11,-2.1 -2,-0.4 2,-0.5 -0.831 20.9-163.1 -94.9 127.9 -24.3 37.1 20.8 35 35 A L E +EF 68 44B 0 33,-2.8 33,-2.4 -2,-0.5 2,-0.4 -0.966 10.4 179.0-114.1 124.9 -26.1 37.3 17.4 36 36 A Q E -EF 67 43B 70 7,-2.0 7,-3.2 -2,-0.5 2,-0.5 -0.996 9.0-170.1-130.3 129.0 -27.1 40.8 16.3 37 37 A V E +EF 66 42B 3 29,-2.9 29,-2.4 -2,-0.4 2,-0.3 -0.983 27.2 133.5-121.4 128.9 -28.8 41.7 13.0 38 38 A A E > + F 0 41B 59 3,-1.7 3,-1.1 -2,-0.5 -2,-0.1 -0.870 63.0 4.5-172.5 130.4 -29.2 45.2 12.0 39 39 A D T 3 S- 0 0 156 -2,-0.3 2,-1.4 1,-0.2 20,-0.1 0.952 123.1 -47.8 53.0 80.5 -28.5 47.0 8.7 40 40 A G T 3 S+ 0 0 28 18,-0.1 19,-5.3 1,-0.1 2,-0.3 0.219 118.4 90.6 49.5 -15.0 -27.6 44.3 6.1 41 41 A T E < -FG 38 58B 46 -2,-1.4 -3,-1.7 -3,-1.1 2,-0.5 -0.797 61.3-147.4-118.2 154.3 -25.1 42.6 8.4 42 42 A L E -FG 37 57B 0 15,-3.4 15,-1.8 -2,-0.3 2,-0.5 -0.966 18.1-159.9-110.5 124.7 -25.1 39.8 11.0 43 43 A S E -FG 36 56B 12 -7,-3.2 -7,-2.0 -2,-0.5 2,-0.4 -0.920 4.5-167.6-112.3 124.5 -22.6 40.3 13.9 44 44 A L E -FG 35 55B 0 11,-2.4 11,-2.2 -2,-0.5 2,-0.4 -0.909 8.7-170.7-109.3 134.5 -21.5 37.3 16.0 45 45 A T E -FG 34 54B 3 -11,-2.1 -11,-2.3 -2,-0.4 2,-0.3 -0.984 10.4-179.3-133.4 136.0 -19.7 37.9 19.2 46 46 A G E + G 0 53B 2 7,-2.2 7,-1.6 -2,-0.4 2,-0.3 -0.924 10.7 178.6-125.8 152.2 -17.8 35.6 21.7 47 47 A T E - G 0 52B 7 -15,-0.4 5,-0.2 -2,-0.3 -15,-0.1 -0.998 33.9-178.5-155.2 155.9 -16.1 36.5 24.9 48 48 A D - 0 0 60 3,-0.8 4,-0.1 -2,-0.3 -1,-0.1 0.175 63.7-106.1-132.4 4.6 -14.1 35.1 27.9 49 49 A L S S+ 0 0 82 2,-0.3 3,-0.1 68,-0.2 -2,-0.0 0.404 113.9 69.6 82.7 -2.4 -13.8 38.6 29.5 50 50 A E S S- 0 0 106 1,-0.5 185,-2.0 183,-0.1 2,-0.3 0.671 115.6 -3.1-109.4 -35.7 -10.1 38.9 28.6 51 51 A M E - H 0 234B 28 183,-0.2 -3,-0.8 171,-0.1 -1,-0.5 -0.983 65.5-150.9-157.1 144.1 -10.6 39.3 24.9 52 52 A E E -GH 47 233B 17 181,-2.0 181,-2.1 -2,-0.3 2,-0.4 -0.939 2.1-153.0-127.3 148.2 -13.5 39.3 22.5 53 53 A M E -GH 46 232B 12 -7,-1.6 -7,-2.2 -2,-0.4 2,-0.4 -0.948 9.5-171.7-118.5 135.9 -14.0 38.4 18.9 54 54 A V E -GH 45 231B 15 177,-1.6 177,-2.0 -2,-0.4 2,-0.4 -0.972 3.6-164.8-126.1 139.9 -16.6 39.8 16.5 55 55 A A E -GH 44 230B 1 -11,-2.2 -11,-2.4 -2,-0.4 2,-0.4 -0.994 8.3-151.2-127.0 130.6 -17.4 38.6 13.0 56 56 A R E -G 43 0B 115 173,-2.8 2,-0.4 -2,-0.4 -13,-0.2 -0.832 11.9-171.6-100.6 138.3 -19.5 40.6 10.5 57 57 A V E -G 42 0B 13 -15,-1.8 -15,-3.4 -2,-0.4 2,-0.3 -0.987 23.0-126.6-134.5 124.2 -21.5 38.8 7.9 58 58 A A E -G 41 0B 72 -2,-0.4 2,-0.9 -17,-0.2 -17,-0.3 -0.519 18.1-143.6 -69.1 127.0 -23.2 40.6 5.0 59 59 A L + 0 0 14 -19,-5.3 4,-0.1 -2,-0.3 -54,-0.1 -0.830 30.0 164.9 -96.8 101.3 -26.9 39.7 4.9 60 60 A V + 0 0 121 -2,-0.9 -1,-0.2 -56,-0.2 3,-0.1 0.908 57.8 62.4 -82.1 -49.6 -27.8 39.5 1.2 61 61 A Q S S- 0 0 108 -57,-0.4 -57,-0.2 1,-0.2 -21,-0.0 -0.261 112.8 -63.8 -71.4 166.8 -31.1 37.6 1.3 62 62 A P + 0 0 112 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.181 67.4 174.6 -52.8 143.0 -34.0 39.2 3.1 63 63 A H - 0 0 68 -60,-0.1 -60,-0.2 -4,-0.1 -23,-0.1 -0.918 24.5-137.5-145.6 172.4 -33.4 39.7 6.8 64 64 A E B -A 2 0A 100 -62,-3.3 -62,-2.4 -2,-0.3 -27,-0.1 -0.976 25.8-112.7-143.5 124.9 -34.9 41.2 10.0 65 65 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 0.020 57.3 102.2 -50.9 155.5 -33.3 43.1 12.8 66 66 A G E -E 37 0B 30 -29,-2.4 -29,-2.9 -65,-0.1 2,-0.3 -0.893 47.2-122.9 152.7-179.9 -32.9 41.9 16.4 67 67 A A E +E 36 0B 43 -2,-0.3 46,-0.3 -31,-0.2 2,-0.3 -0.974 28.2 146.2-160.1 142.8 -30.5 40.3 18.9 68 68 A T E -E 35 0B 6 -33,-2.4 -33,-2.8 -2,-0.3 2,-0.4 -0.889 34.9-111.1-158.6-172.8 -30.1 37.3 21.1 69 69 A T E +E 34 0B 0 42,-0.3 42,-0.8 -2,-0.3 -35,-0.2 -0.999 29.1 176.2-135.9 131.2 -27.7 34.8 22.7 70 70 A V E -E 33 0B 0 -37,-2.2 -37,-2.7 -2,-0.4 40,-0.1 -0.994 44.6 -83.7-141.6 147.0 -27.2 31.1 21.9 71 71 A P E > -E 32 0B 12 0, 0.0 4,-2.2 0, 0.0 -39,-0.3 -0.211 40.3-149.4 -45.5 115.3 -25.0 28.2 23.0 72 72 A A H > S+ 0 0 3 -41,-2.4 4,-2.2 2,-0.2 5,-0.1 0.924 88.9 44.9 -57.2 -51.5 -21.9 28.7 20.8 73 73 A R H > S+ 0 0 145 -42,-0.5 4,-2.8 2,-0.2 5,-0.2 0.945 114.6 46.2 -59.8 -55.8 -20.9 25.0 20.5 74 74 A K H > S+ 0 0 128 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.953 113.9 48.4 -54.0 -53.8 -24.3 23.6 19.9 75 75 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.886 112.5 50.2 -55.9 -39.9 -25.2 26.2 17.3 76 76 A F H X S+ 0 0 13 -4,-2.2 4,-3.4 -5,-0.2 5,-0.2 0.936 110.8 47.1 -64.6 -48.8 -21.9 25.6 15.6 77 77 A D H X S+ 0 0 61 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.959 108.2 56.7 -58.0 -50.9 -22.3 21.8 15.4 78 78 A I H X S+ 0 0 27 -4,-2.9 4,-0.6 1,-0.2 3,-0.3 0.939 113.6 40.1 -44.8 -54.8 -25.8 22.2 14.1 79 79 A C H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.956 115.0 50.7 -60.5 -51.5 -24.5 24.3 11.2 80 80 A R H 3< S+ 0 0 143 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.760 105.9 60.1 -57.2 -26.4 -21.4 22.1 10.7 81 81 A G H 3< S+ 0 0 65 -4,-2.9 -1,-0.3 -3,-0.3 -2,-0.2 0.610 86.1 90.0 -80.5 -14.1 -23.7 19.1 10.7 82 82 A L S << S- 0 0 12 -3,-1.8 2,-0.2 -4,-0.6 3,-0.1 -0.354 91.3 -94.3 -77.7 165.0 -25.8 20.2 7.7 83 83 A P > - 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