==== 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 4MJR . COMPND 2 MOLECULE: DNA POLYMERASE III SUBUNIT BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Z.YIN,A.J.OAKLEY . 725 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 70.9 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 . 295 40.7 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 . 45 6.2 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 . 106 14.6 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 2 3 5 2 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 . 7 1 3 5 16 10 5 0 0 0 0 0 0 2 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 0 5 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 27 0, 0.0 86,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 124.2 -14.8 -31.7 17.8 2 2 A K E +AB 59 86A 20 57,-2.1 57,-2.5 84,-0.2 2,-0.3 -0.993 360.0 154.8-145.1 139.9 -11.1 -32.3 17.9 3 3 A F E - B 0 85A 1 82,-2.0 82,-3.1 -2,-0.3 2,-0.4 -0.980 25.5-152.0-156.0 159.6 -8.2 -32.2 15.4 4 4 A T E + B 0 84A 38 53,-0.4 52,-0.5 -2,-0.3 2,-0.3 -0.989 29.3 162.3-131.3 124.7 -4.5 -31.7 15.1 5 5 A V E - B 0 83A 6 78,-2.5 78,-3.0 -2,-0.4 2,-0.2 -0.977 42.2 -97.7-143.2 149.9 -3.1 -30.3 11.8 6 6 A E E >> - B 0 82A 58 -2,-0.3 3,-1.1 76,-0.2 4,-0.7 -0.487 28.8-129.0 -66.0 135.7 0.0 -28.7 10.6 7 7 A R H >> S+ 0 0 26 74,-3.0 3,-1.7 1,-0.2 4,-1.2 0.895 107.8 65.1 -45.8 -44.7 -0.1 -24.9 10.3 8 8 A E H 3> S+ 0 0 114 73,-0.4 4,-0.5 1,-0.3 3,-0.3 0.836 98.5 51.1 -50.8 -39.9 1.1 -25.3 6.8 9 9 A H H <4 S+ 0 0 103 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.629 110.9 49.5 -78.0 -14.9 -2.0 -27.2 5.7 10 10 A L H S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.923 110.7 49.7 -49.8 -48.6 -7.5 -22.6 3.1 14 14 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.905 109.6 49.1 -62.0 -43.9 -7.8 -19.9 5.8 15 15 A Q H < S+ 0 0 111 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.910 113.0 49.3 -64.1 -35.8 -6.9 -17.1 3.4 16 16 A Q H >< S+ 0 0 29 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.932 114.1 42.4 -66.4 -46.0 -9.4 -18.4 0.9 17 17 A V H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.639 104.0 65.1 -82.8 -11.8 -12.4 -18.7 3.3 18 18 A S T 3< S+ 0 0 12 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.585 84.2 84.3 -81.0 -7.3 -11.6 -15.4 5.0 19 19 A G < 0 0 48 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.837 360.0 360.0 -64.4 -45.7 -12.5 -13.7 1.7 20 20 A P 0 0 31 0, 0.0 23,-0.1 0, 0.0 22,-0.1 0.477 360.0 360.0 -86.9 360.0 -16.3 -13.5 2.0 21 ! 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 22 27 A L > 0 0 139 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 166.5 -23.9 -9.3 10.9 23 28 A P G > + 0 0 104 0, 0.0 3,-1.8 0, 0.0 4,-0.1 0.868 360.0 55.0 -62.8 -44.5 -21.6 -11.0 13.5 24 29 A I G > S+ 0 0 17 1,-0.3 3,-1.4 2,-0.2 41,-0.1 0.753 98.8 64.5 -67.3 -21.2 -21.8 -14.7 12.4 25 30 A L G < S+ 0 0 36 -3,-0.6 17,-0.3 1,-0.3 -1,-0.3 0.641 95.2 59.5 -73.0 -15.7 -20.7 -13.7 8.9 26 31 A G G < S+ 0 0 43 -3,-1.8 41,-2.5 -4,-0.3 42,-0.5 0.365 98.9 82.7 -87.1 0.8 -17.4 -12.6 10.5 27 32 A N E < S-J 66 0B 16 -3,-1.4 15,-0.4 39,-0.3 2,-0.4 -0.701 72.3-135.4-101.4 157.0 -17.1 -16.3 11.6 28 33 A L E -J 65 0B 2 37,-3.0 37,-2.0 -2,-0.3 2,-0.5 -0.916 17.8-129.6-105.2 141.3 -15.8 -19.4 9.9 29 34 A L E -JK 64 40B 14 11,-2.4 11,-2.2 -2,-0.4 2,-0.5 -0.803 21.4-164.8 -86.8 124.2 -17.6 -22.7 10.1 30 35 A L E +JK 63 39B 0 33,-3.0 33,-2.0 -2,-0.5 2,-0.4 -0.958 10.2 178.0-109.2 128.0 -15.3 -25.6 11.1 31 36 A Q E -JK 62 38B 78 7,-2.1 7,-2.6 -2,-0.5 2,-0.5 -0.995 15.2-162.2-132.5 127.0 -16.6 -29.1 10.5 32 37 A V E +JK 61 37B 5 29,-3.3 29,-1.8 -2,-0.4 2,-0.3 -0.951 33.0 137.5-107.2 123.6 -14.8 -32.4 11.1 33 38 A A E > + K 0 36B 59 3,-2.2 3,-1.8 -2,-0.5 -2,-0.1 -0.946 61.0 4.2-162.8 142.1 -16.3 -35.4 9.3 34 39 A D T 3 S- 0 0 156 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.876 128.3 -53.4 46.7 51.4 -15.1 -38.4 7.4 35 40 A G T 3 S+ 0 0 29 1,-0.2 19,-2.6 18,-0.1 2,-0.3 0.632 117.3 107.6 66.4 16.4 -11.4 -37.7 8.0 36 41 A T E < -KL 33 53B 21 -3,-1.8 -3,-2.2 17,-0.2 2,-0.5 -0.958 58.4-148.7-127.8 143.2 -11.7 -34.1 6.7 37 42 A L E -KL 32 52B 1 15,-3.1 15,-2.5 -2,-0.3 2,-0.4 -0.961 21.3-165.4-103.5 124.1 -11.8 -30.7 8.2 38 43 A S E -KL 31 51B 24 -7,-2.6 -7,-2.1 -2,-0.5 2,-0.4 -0.917 3.2-163.3-107.2 139.2 -13.9 -28.3 6.1 39 44 A L E -KL 30 50B 0 11,-2.7 11,-2.5 -2,-0.4 2,-0.4 -0.987 9.2-171.2-121.9 131.0 -13.7 -24.5 6.6 40 45 A T E -KL 29 49B 7 -11,-2.2 -11,-2.4 -2,-0.4 2,-0.3 -0.983 10.3-177.9-129.8 136.4 -16.5 -22.3 5.3 41 46 A G E + L 0 48B 2 7,-2.0 7,-2.5 -2,-0.4 2,-0.3 -0.963 13.9 170.8-124.3 146.0 -16.8 -18.5 4.9 42 47 A T E - L 0 47B 3 -15,-0.4 5,-0.2 -2,-0.3 -15,-0.1 -0.989 36.7-165.4-151.8 157.0 -19.9 -16.7 3.6 43 48 A D - 0 0 25 3,-1.8 4,-0.1 -2,-0.3 -18,-0.1 0.054 63.5-102.4-124.0 20.4 -21.5 -13.2 3.2 44 49 A L S S+ 0 0 63 2,-0.5 3,-0.1 68,-0.1 69,-0.0 0.023 119.5 62.6 78.8 -23.3 -25.0 -14.7 2.4 45 50 A E S S+ 0 0 96 1,-0.3 185,-2.9 69,-0.1 2,-0.3 0.690 116.4 9.4 -99.1 -28.2 -24.5 -14.0 -1.3 46 51 A M E - M 0 229B 3 183,-0.2 -3,-1.8 2,-0.0 -2,-0.5 -0.964 63.5-158.1-148.4 162.3 -21.5 -16.3 -1.8 47 52 A E E -LM 42 228B 30 181,-2.8 181,-2.6 -2,-0.3 2,-0.4 -0.985 5.1-153.9-143.5 147.6 -19.6 -19.0 0.1 48 53 A M E -LM 41 227B 0 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.997 11.7-168.8-123.2 131.3 -16.1 -20.5 -0.0 49 54 A V E -LM 40 226B 22 177,-2.5 177,-2.8 -2,-0.4 2,-0.4 -0.964 3.1-175.0-120.0 133.9 -15.4 -24.0 1.2 50 55 A A E -LM 39 225B 0 -11,-2.5 -11,-2.7 -2,-0.4 2,-0.4 -0.986 9.7-152.6-127.1 140.6 -12.0 -25.5 1.7 51 56 A R E -L 38 0B 114 173,-2.0 2,-0.4 -2,-0.4 -13,-0.2 -0.899 9.2-173.9-115.6 142.5 -11.1 -29.0 2.7 52 57 A V E -L 37 0B 10 -15,-2.5 -15,-3.1 -2,-0.4 2,-0.2 -0.998 25.5-123.4-134.5 130.0 -8.1 -30.3 4.6 53 58 A A E -L 36 0B 82 -2,-0.4 2,-0.6 -17,-0.2 -17,-0.2 -0.523 18.6-145.6 -75.2 143.5 -7.3 -34.0 5.2 54 59 A L + 0 0 14 -19,-2.6 4,-0.1 -2,-0.2 -49,-0.1 -0.921 30.0 160.4-116.2 105.4 -6.8 -35.2 8.8 55 60 A V + 0 0 146 -2,-0.6 -1,-0.1 -51,-0.2 3,-0.1 0.742 60.0 76.4 -92.9 -27.0 -4.3 -38.0 9.4 56 61 A Q S S- 0 0 60 -52,-0.5 -52,-0.1 1,-0.2 -2,-0.0 -0.379 106.2 -71.2 -79.7 160.2 -3.8 -37.3 13.1 57 62 A P + 0 0 119 0, 0.0 -53,-0.4 0, 0.0 2,-0.3 -0.224 65.4 168.8 -53.5 144.4 -6.4 -38.5 15.6 58 63 A H - 0 0 68 -55,-0.2 -55,-0.2 -3,-0.1 -23,-0.0 -0.970 28.4-141.0-153.5 160.7 -9.6 -36.4 15.4 59 64 A E B -A 2 0A 125 -57,-2.5 -57,-2.1 -2,-0.3 -27,-0.1 -0.996 30.0-111.3-131.7 135.7 -13.2 -36.3 16.6 60 65 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 -27,-0.2 -0.178 60.0 94.5 -65.8 157.2 -16.2 -35.2 14.5 61 66 A G E -J 32 0B 30 -29,-1.8 -29,-3.3 -60,-0.1 2,-0.3 -0.872 49.6-117.3 149.0-178.6 -18.2 -32.1 15.2 62 67 A A E +J 31 0B 36 -2,-0.3 46,-0.4 -31,-0.2 2,-0.3 -0.998 25.5 155.1-154.0 151.3 -18.7 -28.5 14.2 63 68 A T E -J 30 0B 5 -33,-2.0 -33,-3.0 -2,-0.3 2,-0.4 -0.929 31.8-118.6-157.4 176.2 -18.5 -24.9 15.5 64 69 A T E +JN 29 106B 0 42,-1.2 42,-1.4 -2,-0.3 -35,-0.2 -0.993 28.2 178.0-126.3 140.7 -18.0 -21.4 14.3 65 70 A V E -J 28 0B 0 -37,-2.0 -37,-3.0 -2,-0.4 40,-0.1 -0.947 44.1 -75.6-135.4 158.8 -15.2 -19.0 15.3 66 71 A P E > -J 27 0B 18 0, 0.0 4,-2.4 0, 0.0 -39,-0.3 -0.336 41.7-148.5 -56.5 122.4 -14.1 -15.5 14.5 67 72 A A H > S+ 0 0 11 -41,-2.5 4,-3.0 2,-0.2 5,-0.2 0.919 90.4 43.7 -61.2 -52.7 -12.3 -15.7 11.1 68 73 A R H > S+ 0 0 135 -42,-0.5 4,-3.2 2,-0.2 5,-0.2 0.919 115.8 48.5 -66.8 -42.0 -9.7 -13.0 11.4 69 74 A K H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.951 115.0 44.5 -61.1 -50.2 -8.8 -14.0 15.0 70 75 A F H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 116.8 46.3 -62.0 -46.1 -8.4 -17.7 14.1 71 76 A F H X S+ 0 0 20 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 0.939 112.4 49.8 -61.0 -46.1 -6.5 -16.8 10.9 72 77 A D H X S+ 0 0 39 -4,-3.2 4,-1.9 -5,-0.2 -1,-0.2 0.872 110.6 51.0 -62.9 -36.6 -4.2 -14.4 12.6 73 78 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.954 113.7 43.4 -64.0 -49.9 -3.5 -16.9 15.4 74 79 A C H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.923 116.5 46.4 -63.6 -43.3 -2.6 -19.6 12.9 75 80 A R H 3< S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 109.9 56.4 -66.7 -33.3 -0.5 -17.3 10.7 76 81 A G H 3< S+ 0 0 24 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.601 88.3 92.6 -77.1 -15.8 1.2 -15.9 13.8 77 82 A L S << S- 0 0 4 -4,-0.9 3,-0.1 -3,-0.7 6,-0.0 -0.410 90.5 -85.9 -75.4 158.7 2.5 -19.3 14.9 78 83 A P > - 0 0 74 0, 0.0 3,-2.1 0, 0.0 -71,-0.1 -0.227 48.3 -88.6 -67.3 151.5 5.9 -20.3 13.8 79 84 A E T 3 S+ 0 0 171 1,-0.3 -4,-0.0 -3,-0.1 -3,-0.0 -0.336 117.5 26.4 -52.2 136.5 6.7 -22.1 10.6 80 85 A G T 3 S+ 0 0 55 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.343 89.4 150.7 85.9 -4.4 6.4 -25.8 11.1 81 86 A A < - 0 0 10 -3,-2.1 -74,-3.0 -7,-0.1 -73,-0.4 -0.245 40.3-139.7 -64.4 146.1 3.9 -25.5 14.0 82 87 A E E -B 6 0A 73 -76,-0.2 2,-0.5 -75,-0.1 -76,-0.2 -0.870 15.7-151.1 -96.2 140.5 1.3 -28.1 14.8 83 88 A I E -B 5 0A 0 -78,-3.0 -78,-2.5 -2,-0.4 2,-0.4 -0.963 7.7-165.1-122.4 118.1 -2.1 -26.8 15.8 84 89 A A E -BC 4 95A 9 11,-3.0 11,-2.8 -2,-0.5 2,-0.4 -0.880 7.1-168.7-102.5 132.1 -4.4 -28.7 18.1 85 90 A V E +BC 3 94A 5 -82,-3.1 -82,-2.0 -2,-0.4 2,-0.3 -0.960 9.6 174.7-125.7 139.1 -8.0 -27.8 18.4 86 91 A Q E -BC 2 93A 83 7,-2.0 7,-3.0 -2,-0.4 2,-0.4 -0.983 25.7-133.4-145.8 127.1 -10.6 -28.9 20.9 87 92 A L E + C 0 92A 46 -86,-2.3 5,-0.2 -2,-0.3 2,-0.2 -0.722 21.6 179.3 -86.9 128.9 -14.2 -27.7 21.2 88 93 A E E > - 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0 0 15 -15,-1.6 -40,-0.2 -2,-0.2 -1,-0.0 -0.734 16.1-156.5-111.8 156.3 -18.0 -19.7 19.5 106 111 A L B -N 64 0B 66 -42,-1.4 -42,-1.2 -2,-0.3 5,-0.1 -0.957 45.9 -88.1-120.8 147.3 -21.4 -19.4 17.9 107 112 A P > - 0 0 63 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.232 21.9-133.0 -60.7 139.8 -23.3 -22.6 17.0 108 113 A A G > S+ 0 0 28 -46,-0.4 3,-2.0 1,-0.3 -45,-0.1 0.868 107.4 64.6 -51.4 -40.5 -22.7 -24.3 13.7 109 114 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -47,-0.1 -46,-0.0 0.719 97.7 54.7 -59.2 -25.9 -26.5 -24.6 13.4 110 115 A D G < S+ 0 0 95 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.544 82.2 111.8 -81.7 -9.9 -26.7 -20.8 13.3 111 116 A F S < S- 0 0 7 -3,-2.0 -86,-0.1 -4,-0.3 -3,-0.0 -0.498 77.0-112.4 -72.2 128.4 -24.3 -20.6 10.3 112 117 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 -68,-0.1 -0.350 31.0-157.0 -62.4 135.8 -26.1 -19.4 7.2 113 118 A N - 0 0 131 -69,-0.0 2,-0.4 -66,-0.0 3,-0.1 -0.935 19.5-122.7-108.4 136.8 -26.4 -22.0 4.4 114 119 A L - 0 0 22 -2,-0.4 3,-0.1 1,-0.1 -69,-0.1 -0.681 46.2-103.2 -67.5 130.2 -26.8 -21.2 0.7 115 120 A D - 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