==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-DEC-10 3Q4L . COMPND 2 MOLECULE: DNA POLYMERASE III SUBUNIT BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.WOLFF,V.OLIERIC,J.P.BRIAND,O.CHALOIN,A.DEJAEGERE,P.DUMAS,E . 737 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 510 69.2 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 . 291 39.5 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 . 20 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 35 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 14.0 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 2 5 3 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 0 6 18 10 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 2 2 2 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 A 0 0 103 0, 0.0 90,-0.2 0, 0.0 92,-0.2 0.000 360.0 360.0 360.0 -33.2 -0.2 36.4 -20.5 2 0 A A + 0 0 61 62,-0.4 63,-0.1 88,-0.1 61,-0.0 0.160 360.0 146.4-108.2 11.2 3.4 36.7 -21.7 3 1 A M + 0 0 0 63,-0.2 88,-0.7 31,-0.1 2,-0.3 -0.301 20.4 170.5 -54.4 123.9 4.7 34.3 -19.0 4 2 A K E +AB 63 90A 88 59,-2.3 59,-2.2 86,-0.2 2,-0.3 -0.997 5.8 154.5-139.0 140.1 7.7 32.3 -20.3 5 3 A F E - B 0 89A 2 84,-2.2 84,-3.2 -2,-0.3 2,-0.4 -0.972 24.4-158.3-160.6 151.0 10.2 29.9 -18.7 6 4 A T E + B 0 88A 38 55,-0.5 54,-0.5 -2,-0.3 2,-0.3 -0.999 25.5 168.2-128.8 125.6 12.5 27.0 -19.4 7 5 A V E - B 0 87A 6 80,-2.1 80,-3.2 -2,-0.4 2,-0.2 -0.988 39.1-104.9-141.0 146.3 13.6 24.9 -16.5 8 6 A E E > - B 0 86A 57 -2,-0.3 3,-1.5 78,-0.2 4,-0.4 -0.501 35.1-119.8 -68.4 137.9 15.3 21.5 -16.2 9 7 A R T >> S+ 0 0 26 76,-3.1 3,-2.0 1,-0.3 4,-1.5 0.864 110.7 55.4 -43.6 -52.3 12.9 18.7 -15.2 10 8 A E H 3> S+ 0 0 59 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.686 101.4 57.3 -63.8 -18.9 14.8 17.9 -11.9 11 9 A H H <4 S+ 0 0 105 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.522 112.8 42.8 -86.5 -4.7 14.5 21.6 -10.7 12 10 A L H <> S+ 0 0 0 -3,-2.0 4,-2.9 -4,-0.4 -2,-0.2 0.689 96.3 75.0-106.5 -34.0 10.6 21.3 -11.0 13 11 A L H X S+ 0 0 36 -4,-1.5 4,-2.4 2,-0.2 5,-0.1 0.880 99.0 38.5 -52.5 -58.1 9.8 17.9 -9.6 14 12 A K H X S+ 0 0 60 -4,-0.5 4,-2.7 2,-0.2 5,-0.2 0.971 118.9 49.6 -64.7 -48.6 10.2 18.4 -5.8 15 13 A P H > S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.894 114.2 46.6 -53.3 -43.0 8.6 21.9 -6.0 16 14 A L H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.897 113.2 48.2 -65.7 -40.0 5.7 20.4 -8.0 17 15 A Q H < S+ 0 0 47 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.895 112.8 48.8 -65.5 -41.9 5.3 17.5 -5.7 18 16 A Q H >< S+ 0 0 41 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.906 111.1 47.8 -66.6 -43.9 5.3 19.9 -2.5 19 17 A V H 3< S+ 0 0 1 -4,-2.2 33,-0.2 1,-0.2 -1,-0.2 0.730 102.3 62.5 -72.8 -21.8 2.8 22.4 -3.9 20 18 A S T 3< S+ 0 0 42 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.632 83.7 89.6 -76.4 -9.7 0.3 19.7 -4.9 21 19 A G < 0 0 36 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.892 360.0 360.0 -52.4 -56.7 0.1 18.7 -1.1 22 20 A P 0 0 31 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.898 360.0 360.0 -65.4 360.0 -2.8 21.0 -0.0 23 ! 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 24 25 A P 0 0 138 0, 0.0 23,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0-140.1 -12.3 20.1 -5.1 25 26 A T + 0 0 111 1,-0.5 3,-0.1 0, 0.0 5,-0.0 0.210 360.0 61.4-149.7 -34.6 -15.6 21.9 -5.5 26 27 A L S > S- 0 0 88 1,-0.1 3,-0.8 0, 0.0 -1,-0.5 -0.869 80.9-140.0-100.3 130.1 -14.2 25.1 -7.0 27 28 A P G > S+ 0 0 93 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.890 98.2 59.6 -60.5 -38.6 -12.3 24.5 -10.4 28 29 A I G > S+ 0 0 12 1,-0.3 3,-1.3 2,-0.2 41,-0.1 0.717 92.9 66.5 -63.8 -23.1 -9.4 26.9 -9.6 29 30 A L G < S+ 0 0 32 -3,-0.8 17,-0.3 1,-0.3 -1,-0.3 0.622 93.7 60.6 -73.3 -15.3 -8.4 24.9 -6.5 30 31 A G G < S+ 0 0 29 -3,-1.7 41,-2.4 -4,-0.3 42,-0.4 0.457 99.0 78.4 -87.5 -6.1 -7.4 22.1 -8.7 31 32 A N E < S-J 70 0B 15 -3,-1.3 15,-0.4 39,-0.3 2,-0.4 -0.635 75.2-131.3-101.3 159.9 -4.9 24.4 -10.4 32 33 A L E -J 69 0B 2 37,-2.5 37,-2.0 -2,-0.2 2,-0.5 -0.912 23.5-127.7-104.2 138.0 -1.5 25.6 -9.4 33 34 A L E -JK 68 44B 16 11,-2.7 11,-2.1 -2,-0.4 2,-0.5 -0.785 25.5-163.0 -84.6 127.3 -0.8 29.3 -9.6 34 35 A L E +JK 67 43B 0 33,-3.4 33,-2.0 -2,-0.5 2,-0.4 -0.951 10.3 179.0-112.3 128.5 2.4 29.9 -11.7 35 36 A Q E -JK 66 42B 76 7,-2.4 7,-3.0 -2,-0.5 2,-0.5 -0.986 16.1-162.4-135.7 128.6 4.1 33.3 -11.5 36 37 A V E +JK 65 41B 6 29,-3.3 29,-1.9 -2,-0.4 2,-0.3 -0.937 28.4 149.3-106.7 124.7 7.3 34.5 -13.2 37 38 A A E > - K 0 40B 64 3,-2.0 3,-1.8 -2,-0.5 -2,-0.1 -0.926 63.1 -19.8-155.7 131.0 8.8 37.7 -11.6 38 39 A D T 3 S- 0 0 105 -2,-0.3 3,-0.1 1,-0.3 20,-0.0 0.760 126.4 -37.4 31.8 70.8 12.5 38.8 -11.3 39 40 A G T 3 S+ 0 0 26 1,-0.1 19,-3.0 18,-0.1 2,-0.4 0.511 119.0 99.9 69.7 10.5 14.5 35.6 -11.9 40 41 A T E < -KL 37 57B 46 -3,-1.8 -3,-2.0 17,-0.2 2,-0.5 -0.980 56.8-153.2-132.1 142.3 12.0 33.4 -10.0 41 42 A L E -KL 36 56B 0 15,-2.9 15,-2.7 -2,-0.4 2,-0.4 -0.956 20.8-160.4-105.2 120.8 9.2 31.0 -10.8 42 43 A S E -KL 35 55B 17 -7,-3.0 -7,-2.4 -2,-0.5 2,-0.4 -0.862 4.3-166.2-101.0 137.6 6.7 30.8 -7.9 43 44 A L E -KL 34 54B 0 11,-2.6 11,-2.6 -2,-0.4 2,-0.4 -0.991 6.8-172.0-124.0 131.0 4.3 27.8 -7.7 44 45 A T E -KL 33 53B 8 -11,-2.1 -11,-2.7 -2,-0.4 2,-0.4 -0.992 10.0-178.9-131.9 130.2 1.3 27.9 -5.4 45 46 A G E + L 0 52B 4 7,-2.2 7,-2.5 -2,-0.4 2,-0.3 -0.956 14.0 174.9-120.8 139.7 -1.2 25.2 -4.4 46 47 A T E - L 0 51B 12 -15,-0.4 5,-0.2 -2,-0.4 -15,-0.1 -0.996 36.8-171.6-145.8 153.5 -4.2 25.9 -2.0 47 48 A D - 0 0 39 3,-1.9 4,-0.1 -2,-0.3 -18,-0.1 0.086 63.2-106.5-120.0 14.1 -7.3 24.2 -0.5 48 49 A L S S+ 0 0 91 2,-0.5 3,-0.1 68,-0.1 -2,-0.0 -0.038 118.3 62.4 80.2 -28.2 -8.4 27.7 1.1 49 50 A E S S+ 0 0 104 1,-0.2 185,-2.7 -27,-0.1 2,-0.3 0.693 117.1 12.1 -92.7 -29.2 -7.4 26.4 4.6 50 51 A M E - M 0 233B 10 183,-0.2 -3,-1.9 -28,-0.0 -2,-0.5 -0.963 63.7-162.5-145.9 158.7 -3.7 26.0 3.7 51 52 A E E -LM 46 232B 24 181,-2.7 181,-2.9 -2,-0.3 2,-0.4 -0.994 7.1-155.3-145.4 148.8 -1.3 26.9 0.9 52 53 A M E -LM 45 231B 5 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.4 -0.994 11.7-169.5-126.3 127.8 2.1 25.8 -0.2 53 54 A V E -LM 44 230B 11 177,-2.6 177,-2.8 -2,-0.4 2,-0.4 -0.987 1.0-170.2-119.5 131.3 4.4 28.2 -2.2 54 55 A A E -LM 43 229B 1 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.4 -0.956 8.3-153.4-121.6 139.8 7.6 27.0 -3.9 55 56 A R E -L 42 0B 110 173,-2.1 2,-0.5 -2,-0.4 -13,-0.2 -0.958 8.9-169.9-115.8 128.3 10.2 29.3 -5.4 56 57 A V E -L 41 0B 11 -15,-2.7 -15,-2.9 -2,-0.4 2,-0.1 -0.985 22.3-127.9-121.7 120.1 12.4 28.1 -8.3 57 58 A A E -L 40 0B 79 -2,-0.5 2,-0.7 -17,-0.2 -17,-0.2 -0.440 19.9-140.6 -67.8 135.2 15.4 30.2 -9.5 58 59 A L + 0 0 15 -19,-3.0 4,-0.1 1,-0.1 -51,-0.1 -0.889 31.4 164.3-103.9 104.6 15.4 30.8 -13.3 59 60 A V + 0 0 140 -2,-0.7 -1,-0.1 -53,-0.1 -52,-0.1 0.585 63.4 68.6 -91.3 -16.3 18.9 30.6 -14.9 60 61 A Q S S- 0 0 60 -54,-0.5 -54,-0.1 1,-0.2 0, 0.0 -0.633 106.2 -70.1 -98.7 160.2 17.5 30.2 -18.5 61 62 A P + 0 0 111 0, 0.0 -55,-0.5 0, 0.0 2,-0.3 -0.154 62.3 168.8 -55.2 147.1 15.7 33.1 -20.4 62 63 A H - 0 0 59 -57,-0.2 -57,-0.2 -4,-0.1 -59,-0.1 -0.956 27.6-143.6-154.6 161.7 12.2 33.9 -19.1 63 64 A E B -A 4 0A 101 -59,-2.2 -59,-2.3 -2,-0.3 -27,-0.1 -0.994 32.2-107.3-134.2 138.3 9.4 36.5 -19.4 64 65 A P + 0 0 81 0, 0.0 -62,-0.4 0, 0.0 2,-0.3 -0.234 61.4 92.8 -69.8 156.7 7.2 37.7 -16.5 65 66 A G E -J 36 0B 24 -29,-1.9 -29,-3.3 -63,-0.1 2,-0.3 -0.908 50.7-114.7 151.1-177.6 3.5 36.9 -16.1 66 67 A A E +J 35 0B 29 -2,-0.3 46,-0.4 -31,-0.2 2,-0.3 -0.996 24.8 160.9-152.1 155.8 1.2 34.4 -14.4 67 68 A T E -J 34 0B 6 -33,-2.0 -33,-3.4 -2,-0.3 2,-0.4 -0.918 31.2-120.5-159.1 172.5 -1.4 31.7 -15.0 68 69 A T E -JN 33 110B 0 42,-1.0 42,-1.1 -2,-0.3 -35,-0.2 -0.983 29.8-178.8-123.0 139.2 -3.1 28.8 -13.3 69 70 A V E -J 32 0B 0 -37,-2.0 -37,-2.5 -2,-0.4 40,-0.1 -0.979 42.6 -84.1-137.6 145.4 -2.9 25.3 -14.7 70 71 A P E > -J 31 0B 20 0, 0.0 4,-2.2 0, 0.0 -39,-0.3 -0.351 42.3-147.6 -53.7 120.0 -4.4 21.8 -13.7 71 72 A A H > S+ 0 0 14 -41,-2.4 4,-2.6 2,-0.2 5,-0.2 0.920 90.1 43.3 -54.5 -58.7 -1.9 20.7 -10.9 72 73 A R H > S+ 0 0 144 -42,-0.4 4,-2.9 2,-0.2 5,-0.2 0.901 115.1 49.9 -60.1 -46.3 -2.0 16.9 -11.4 73 74 A K H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.930 114.3 44.3 -60.0 -46.9 -1.9 17.1 -15.3 74 75 A F H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.917 115.9 46.1 -65.5 -47.1 1.2 19.5 -15.2 75 76 A F H X S+ 0 0 24 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.913 112.6 51.5 -59.9 -47.6 3.0 17.5 -12.5 76 77 A D H X S+ 0 0 30 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.867 110.1 49.2 -61.1 -37.1 2.3 14.2 -14.4 77 78 A I H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.953 114.2 44.6 -64.5 -49.5 3.6 15.6 -17.6 78 79 A C H >< S+ 0 0 0 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.938 116.6 45.7 -61.3 -45.0 6.8 16.8 -16.0 79 80 A R H 3< S+ 0 0 120 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.843 110.9 54.9 -64.0 -38.7 7.3 13.5 -14.1 80 81 A G H 3< S+ 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.616 89.8 91.8 -72.5 -17.6 6.5 11.5 -17.3 81 82 A L S << S- 0 0 5 -4,-1.0 3,-0.1 -3,-0.8 6,-0.0 -0.348 90.4 -89.2 -74.6 159.1 9.2 13.3 -19.3 82 83 A P > - 0 0 78 0, 0.0 3,-1.9 0, 0.0 -73,-0.2 -0.359 50.5 -85.4 -71.3 157.7 12.8 11.7 -19.4 83 84 A E T 3 S+ 0 0 165 1,-0.3 -4,-0.0 -74,-0.1 0, 0.0 -0.295 116.9 23.0 -58.3 134.5 15.5 12.5 -16.8 84 85 A G T 3 S+ 0 0 37 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.447 87.1 153.8 84.2 2.9 17.4 15.6 -17.8 85 86 A A < - 0 0 12 -3,-1.9 -76,-3.1 -7,-0.1 2,-0.5 -0.382 42.7-133.3 -66.5 140.8 14.6 17.0 -20.0 86 87 A E E -B 8 0A 89 -78,-0.2 2,-0.7 -77,-0.1 -78,-0.2 -0.852 19.2-150.0 -91.7 123.9 14.4 20.8 -20.5 87 88 A I E -B 7 0A 0 -80,-3.2 -80,-2.1 -2,-0.5 2,-0.5 -0.909 9.5-164.9-106.0 110.5 10.8 21.9 -20.0 88 89 A A E -BC 6 99A 36 11,-2.8 11,-2.7 -2,-0.7 2,-0.4 -0.819 9.8-173.5 -95.2 124.5 9.8 25.0 -22.1 89 90 A V E +BC 5 98A 4 -84,-3.2 -84,-2.2 -2,-0.5 2,-0.3 -0.983 14.1 148.1-126.5 134.0 6.6 26.8 -21.0 90 91 A Q E -BC 4 97A 56 7,-1.8 7,-3.0 -2,-0.4 2,-0.4 -0.951 39.1-111.5-152.3 165.4 4.6 29.7 -22.6 91 92 A L E - C 0 96A 22 -88,-0.7 2,-0.4 -2,-0.3 5,-0.2 -0.831 21.3-177.6-105.4 143.5 1.0 30.9 -23.0 92 93 A E E > - 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