==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 04-SEP-13 4MJQ . COMPND 2 MOLECULE: DNA POLYMERASE III SUBUNIT BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Z.YIN,A.J.OAKLEY . 727 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 505 69.5 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 . 285 39.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 14.7 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 1 0 0 0 0 3 2 4 3 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 . 8 0 2 6 15 11 4 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 4 1 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 23 0, 0.0 88,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 130.1 -13.6 -32.8 17.7 2 2 A K E +AB 61 88A 72 59,-1.9 59,-2.6 86,-0.2 2,-0.3 -0.975 360.0 156.0-157.6 136.2 -9.8 -33.1 17.9 3 3 A F E - B 0 87A 0 84,-2.3 84,-3.1 -2,-0.3 2,-0.4 -0.981 23.4-152.7-154.3 159.0 -6.9 -33.0 15.4 4 4 A T E + B 0 86A 32 55,-0.3 54,-0.5 -2,-0.3 2,-0.3 -0.992 29.3 158.3-132.0 131.0 -3.2 -32.3 15.2 5 5 A V E - B 0 85A 4 80,-2.4 80,-3.3 -2,-0.4 2,-0.3 -0.973 44.1 -88.9-148.0 157.0 -1.6 -31.0 12.0 6 6 A E E >> - B 0 84A 61 -2,-0.3 3,-1.2 78,-0.2 4,-0.8 -0.539 28.5-133.2 -65.4 132.4 1.4 -29.2 10.7 7 7 A R H >> S+ 0 0 32 76,-2.6 3,-1.4 -2,-0.3 4,-1.3 0.880 107.3 64.7 -41.7 -44.3 1.0 -25.4 10.5 8 8 A E H 3> S+ 0 0 104 75,-0.4 4,-0.5 1,-0.3 -1,-0.2 0.828 100.1 49.6 -56.8 -35.1 2.4 -25.7 7.0 9 9 A H H <4 S+ 0 0 96 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.648 111.3 49.7 -80.8 -16.4 -0.6 -27.7 5.9 10 10 A L H S+ 0 0 13 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.928 112.9 48.8 -54.9 -43.5 -6.4 -23.5 3.3 14 14 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.886 108.7 52.8 -63.2 -40.3 -6.8 -20.8 6.0 15 15 A Q H X S+ 0 0 104 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.936 111.8 46.6 -59.8 -45.2 -5.9 -18.0 3.6 16 16 A Q H < S+ 0 0 18 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.893 115.4 42.5 -68.2 -41.1 -8.5 -19.2 1.0 17 17 A V H < S+ 0 0 6 -4,-2.2 -1,-0.2 -5,-0.2 33,-0.2 0.694 104.7 65.9 -81.6 -16.0 -11.4 -19.6 3.4 18 18 A S H < 0 0 15 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.703 360.0 360.0 -81.7 -20.2 -10.7 -16.4 5.4 19 19 A G < 0 0 56 -4,-0.7 -1,-0.2 -3,-0.4 -3,-0.1 -0.033 360.0 360.0 -58.5 360.0 -11.5 -14.1 2.4 20 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 21 24 A R 0 0 127 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.8 -16.7 -6.4 9.9 22 25 A P - 0 0 72 0, 0.0 6,-0.1 0, 0.0 23,-0.0 -0.639 360.0-126.2 -85.0 146.5 -19.2 -9.2 9.0 23 26 A T S S+ 0 0 84 -2,-0.3 3,-0.1 1,-0.1 22,-0.0 0.539 100.1 23.1 -69.0 -9.6 -23.0 -8.4 8.9 24 27 A L S > S- 0 0 93 1,-0.1 3,-1.7 0, 0.0 4,-0.4 -0.935 85.3-120.8-153.6 137.3 -23.6 -11.2 11.4 25 28 A P G > S+ 0 0 93 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.824 108.7 57.5 -50.7 -42.2 -21.1 -12.7 13.9 26 29 A I G > S+ 0 0 13 1,-0.3 3,-1.6 2,-0.2 41,-0.1 0.783 96.1 65.6 -65.6 -22.1 -21.2 -16.3 12.7 27 30 A L G < S+ 0 0 28 -3,-1.7 17,-0.3 1,-0.3 -1,-0.3 0.646 94.7 59.3 -73.0 -14.0 -20.1 -15.0 9.2 28 31 A G G < S+ 0 0 27 -3,-1.9 41,-2.7 -4,-0.4 42,-0.4 0.386 98.4 83.6 -86.7 -0.3 -16.8 -14.0 10.8 29 32 A N E < S-J 68 0B 14 -3,-1.6 2,-0.4 39,-0.3 15,-0.4 -0.716 72.4-133.7-103.9 154.6 -16.3 -17.6 11.8 30 33 A L E -J 67 0B 2 37,-2.9 37,-1.6 -2,-0.3 2,-0.6 -0.883 18.9-130.5 -99.2 140.4 -14.9 -20.7 10.1 31 34 A L E -JK 66 42B 18 11,-2.6 11,-2.1 -2,-0.4 2,-0.5 -0.811 23.3-164.9 -87.0 122.4 -16.7 -24.0 10.2 32 35 A L E +JK 65 41B 0 33,-2.9 33,-1.9 -2,-0.6 2,-0.4 -0.939 9.3 179.4-107.6 129.5 -14.2 -26.7 11.1 33 36 A Q E -JK 64 40B 77 7,-2.2 7,-3.0 -2,-0.5 2,-0.5 -0.995 15.3-163.6-134.6 127.2 -15.3 -30.3 10.6 34 37 A V E +JK 63 39B 4 29,-3.0 29,-1.8 -2,-0.4 2,-0.3 -0.956 28.4 148.4-106.3 118.8 -13.4 -33.5 11.2 35 38 A A E > - K 0 38B 59 3,-2.3 3,-2.0 -2,-0.5 2,-0.2 -0.974 63.1 -16.9-153.8 141.4 -14.9 -36.6 9.5 36 39 A D T 3 S- 0 0 155 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.456 126.8 -39.3 57.3-132.0 -13.3 -39.7 8.1 37 40 A G T 3 S+ 0 0 24 -2,-0.2 19,-3.1 -3,-0.1 2,-0.4 -0.078 118.4 102.9-108.0 35.0 -9.6 -38.6 7.9 38 41 A T E < -KL 35 55B 26 -3,-2.0 -3,-2.3 17,-0.2 2,-0.6 -0.948 55.6-156.3-126.4 134.8 -10.4 -35.1 6.7 39 42 A L E -KL 34 54B 1 15,-3.1 15,-2.5 -2,-0.4 2,-0.4 -0.958 20.6-163.9 -98.7 122.0 -10.5 -31.7 8.2 40 43 A S E -KL 33 53B 23 -7,-3.0 -7,-2.2 -2,-0.6 2,-0.4 -0.877 3.2-164.4-104.5 139.5 -12.8 -29.4 6.3 41 44 A L E -KL 32 52B 0 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.991 8.0-172.9-122.7 131.1 -12.7 -25.6 6.7 42 45 A T E -KL 31 51B 7 -11,-2.1 -11,-2.6 -2,-0.4 2,-0.3 -0.989 9.3-176.8-131.9 131.6 -15.5 -23.4 5.4 43 46 A G E + L 0 50B 7 7,-2.2 7,-2.3 -2,-0.4 2,-0.3 -0.922 13.0 171.9-117.2 149.3 -15.9 -19.6 5.2 44 47 A T E - L 0 49B 13 -15,-0.4 5,-0.2 -17,-0.3 -15,-0.1 -0.995 34.2-169.3-154.4 149.9 -19.0 -17.8 4.0 45 48 A D - 0 0 52 3,-2.0 4,-0.1 -2,-0.3 -22,-0.1 0.091 62.3-104.0-120.8 19.8 -20.5 -14.4 3.7 46 49 A L S S+ 0 0 75 2,-0.5 3,-0.1 68,-0.1 69,-0.0 -0.058 119.0 63.0 80.2 -29.9 -24.0 -15.7 2.8 47 50 A E S S+ 0 0 96 1,-0.3 185,-3.0 184,-0.1 2,-0.3 0.743 118.3 4.3 -89.7 -29.6 -23.5 -14.8 -0.9 48 51 A M E - M 0 231B 10 183,-0.2 -3,-2.0 2,-0.0 -2,-0.5 -0.962 62.8-160.7-149.6 164.0 -20.6 -17.2 -1.4 49 52 A E E -LM 44 230B 28 181,-2.8 181,-2.6 -2,-0.3 2,-0.4 -0.984 7.2-151.7-147.3 159.6 -18.6 -19.8 0.4 50 53 A M E -LM 43 229B 6 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.4 -1.000 10.8-166.4-135.3 129.5 -15.2 -21.5 0.2 51 54 A V E -LM 42 228B 28 177,-2.6 177,-2.2 -2,-0.4 2,-0.3 -0.972 6.2-176.0-120.2 132.5 -14.5 -25.0 1.4 52 55 A A E -LM 41 227B 0 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.945 10.7-148.6-127.5 147.9 -11.0 -26.5 1.9 53 56 A R E -L 40 0B 139 173,-1.5 2,-0.4 -2,-0.3 -13,-0.2 -0.929 9.4-173.3-121.0 143.9 -9.9 -29.9 2.9 54 57 A V E -L 39 0B 10 -15,-2.5 -15,-3.1 -2,-0.4 2,-0.2 -1.000 25.5-124.6-133.2 128.8 -6.8 -31.1 4.8 55 58 A A E -L 38 0B 81 -2,-0.4 2,-0.5 -17,-0.2 -17,-0.2 -0.548 20.3-150.0 -75.3 139.6 -5.8 -34.7 5.3 56 59 A L + 0 0 14 -19,-3.1 4,-0.1 -2,-0.2 -51,-0.1 -0.942 28.9 159.4-112.2 123.9 -5.4 -35.9 8.9 57 60 A V + 0 0 142 -2,-0.5 -1,-0.1 -53,-0.3 3,-0.1 0.619 58.2 77.3-113.1 -20.2 -2.9 -38.7 9.7 58 61 A Q S S- 0 0 51 -54,-0.5 -54,-0.1 1,-0.2 -2,-0.0 -0.378 106.3 -64.0 -85.6 164.8 -2.3 -38.0 13.4 59 62 A P + 0 0 115 0, 0.0 -55,-0.3 0, 0.0 2,-0.3 -0.213 67.8 170.1 -51.9 138.7 -4.9 -39.1 15.9 60 63 A H - 0 0 63 -57,-0.2 -57,-0.2 -3,-0.1 -4,-0.0 -0.969 26.6-147.2-148.3 161.6 -8.2 -37.3 15.4 61 64 A E B -A 2 0A 108 -59,-2.6 -59,-1.9 -2,-0.3 -27,-0.1 -0.997 28.8-112.4-132.1 135.8 -11.8 -37.3 16.6 62 65 A P + 0 0 97 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.190 59.3 95.5 -66.0 158.9 -14.8 -36.4 14.6 63 66 A G E -J 34 0B 31 -29,-1.8 -29,-3.0 -62,-0.1 2,-0.3 -0.824 50.8-116.3 147.6-177.6 -17.0 -33.4 15.2 64 67 A A E +J 33 0B 36 -2,-0.3 46,-0.4 -31,-0.2 2,-0.3 -0.996 27.5 154.6-152.4 145.7 -17.6 -29.8 14.2 65 68 A T E -J 32 0B 4 -33,-1.9 -33,-2.9 -2,-0.3 2,-0.4 -0.927 32.0-120.5-154.2 175.8 -17.5 -26.3 15.6 66 69 A T E +JN 31 108B 0 42,-1.2 42,-1.4 -2,-0.3 -35,-0.2 -0.984 27.3 178.8-126.6 145.4 -17.0 -22.7 14.4 67 70 A V E -J 30 0B 0 -37,-1.6 -37,-2.9 -2,-0.4 40,-0.2 -0.958 45.1 -73.4-138.3 156.0 -14.3 -20.2 15.5 68 71 A P E > -J 29 0B 16 0, 0.0 4,-2.2 0, 0.0 -39,-0.3 -0.301 43.2-150.2 -52.4 121.5 -13.2 -16.7 14.7 69 72 A A H > S+ 0 0 11 -41,-2.7 4,-2.5 2,-0.2 5,-0.2 0.923 89.0 42.5 -64.3 -53.5 -11.6 -16.8 11.2 70 73 A R H > S+ 0 0 131 -42,-0.4 4,-3.0 1,-0.2 5,-0.2 0.916 116.4 48.4 -65.2 -45.2 -9.1 -14.0 11.4 71 74 A K H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.927 113.0 47.2 -60.4 -47.1 -8.0 -14.8 14.9 72 75 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.931 115.1 47.0 -62.7 -43.3 -7.5 -18.5 14.2 73 76 A F H X S+ 0 0 11 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.930 111.8 48.9 -60.8 -48.0 -5.6 -17.6 11.0 74 77 A D H X S+ 0 0 39 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.866 111.6 50.9 -64.6 -37.8 -3.4 -15.1 12.7 75 78 A I H X S+ 0 0 0 -4,-2.3 4,-0.9 -5,-0.2 -1,-0.2 0.959 113.8 43.3 -59.8 -53.2 -2.6 -17.5 15.5 76 79 A C H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.927 116.9 46.6 -60.5 -45.7 -1.6 -20.3 13.1 77 80 A R H 3< S+ 0 0 127 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 109.5 55.5 -65.2 -35.4 0.4 -17.9 10.8 78 81 A G H 3< S+ 0 0 24 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.589 87.7 94.2 -76.5 -16.3 2.1 -16.4 13.9 79 82 A L S << S- 0 0 3 -4,-0.9 3,-0.1 -3,-0.8 6,-0.0 -0.411 90.4 -88.9 -70.0 157.0 3.4 -19.7 15.1 80 83 A P > - 0 0 75 0, 0.0 3,-2.1 0, 0.0 -73,-0.1 -0.286 48.5 -86.4 -72.6 154.1 6.9 -20.6 14.0 81 84 A E T 3 S+ 0 0 152 1,-0.3 -4,-0.0 -3,-0.1 -3,-0.0 -0.264 117.0 27.0 -54.6 140.4 7.8 -22.5 10.9 82 85 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.367 88.2 151.9 85.2 -4.5 7.6 -26.2 11.4 83 86 A A < - 0 0 10 -3,-2.1 -76,-2.6 -7,-0.1 2,-0.4 -0.254 39.6-141.7 -60.5 143.1 5.1 -25.9 14.2 84 87 A E E -B 6 0A 77 -78,-0.2 2,-0.6 -77,-0.1 15,-0.3 -0.910 16.7-150.6 -99.3 136.6 2.6 -28.7 15.0 85 88 A I E -B 5 0A 0 -80,-3.3 -80,-2.4 -2,-0.4 2,-0.5 -0.938 7.9-164.4-118.5 118.7 -0.8 -27.5 15.9 86 89 A A E -BC 4 97A 12 11,-2.9 11,-2.9 -2,-0.6 2,-0.4 -0.860 11.4-175.6-100.4 132.3 -3.1 -29.4 18.3 87 90 A V E +BC 3 96A 1 -84,-3.1 -84,-2.3 -2,-0.5 2,-0.3 -0.980 8.1 168.2-131.5 134.9 -6.7 -28.5 18.3 88 91 A Q E -BC 2 95A 30 7,-2.0 7,-2.6 -2,-0.4 2,-0.4 -0.969 32.0-125.9-149.6 137.1 -9.6 -29.8 20.5 89 92 A L E - C 0 94A 55 -88,-2.4 2,-0.3 -2,-0.3 5,-0.2 -0.659 25.5-178.5 -77.7 129.1 -13.1 -28.6 21.2 90 93 A E E > - 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0 0 18 -15,-1.2 -40,-0.2 -40,-0.2 -1,-0.0 -0.846 15.0-155.9-122.3 160.6 -17.0 -20.9 19.5 108 111 A L B -N 66 0B 57 -42,-1.4 -42,-1.2 -2,-0.3 5,-0.1 -0.976 45.5 -87.8-128.5 146.2 -20.4 -20.8 17.9 109 112 A P > - 0 0 70 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.163 23.2-133.3 -57.0 138.8 -22.4 -24.0 17.2 110 113 A A G > S+ 0 0 30 -46,-0.4 3,-1.5 1,-0.3 -45,-0.1 0.855 107.1 66.8 -59.1 -34.4 -21.7 -25.8 13.9 111 114 A A G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -47,-0.1 -46,-0.0 0.798 96.5 54.9 -53.4 -33.1 -25.5 -26.0 13.7 112 115 A D G < S+ 0 0 92 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.652 79.6 113.1 -73.7 -19.0 -25.7 -22.2 13.3 113 116 A F < - 0 0 8 -3,-1.5 2,-0.1 -4,-0.5 -86,-0.1 -0.428 70.0-124.0 -67.9 123.3 -23.3 -22.1 10.4 114 117 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -68,-0.1 -0.366 24.6-165.3 -73.0 142.6 -25.2 -21.0 7.2 115 118 A N - 0 0 135 -2,-0.1 2,-0.2 -66,-0.0 3,-0.1 -0.895 30.1-102.4-120.4 150.2 -25.2 -23.1 4.1 116 119 A L - 0 0 18 -2,-0.3 3,-0.1 1,-0.1 -69,-0.1 -0.517 50.7 -95.8 -66.4 138.3 -26.2 -22.1 0.6 117 120 A D - 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