==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAY-06 2CNM . COMPND 2 MOLECULE: MODIFICATION OF 30S RIBOSOMAL SUBUNIT PROTEIN S18 . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR M.W.VETTING,M.YU,D.C.BAREICH,J.S.BLANCHARD . 471 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 . 43 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 3 0 0 0 3 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 2 0 0 1 4 0 5 5 0 0 0 0 0 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 1 2 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 1 A M 0 0 155 0, 0.0 47,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 151.5 0.4 -13.8 62.8 2 2 A N E -A 47 0A 71 45,-0.2 2,-0.5 43,-0.0 45,-0.2 -0.910 360.0-170.5-118.0 135.0 1.3 -16.5 60.4 3 3 A T E -A 46 0A 72 43,-2.5 43,-2.8 -2,-0.4 2,-0.5 -0.966 8.3-158.4-135.3 117.8 4.7 -18.0 60.0 4 4 A I E +A 45 0A 19 -2,-0.5 2,-0.3 41,-0.2 41,-0.2 -0.816 29.2 154.2 -93.8 127.0 5.8 -20.3 57.2 5 5 A S E -A 44 0A 32 39,-2.5 39,-3.3 -2,-0.5 2,-0.1 -0.906 47.5 -71.9-141.2 172.8 8.8 -22.4 58.1 6 6 A I E -A 43 0A 45 -2,-0.3 2,-0.7 37,-0.3 37,-0.3 -0.416 45.3-123.4 -60.4 142.5 10.6 -25.6 57.2 7 7 A L + 0 0 9 35,-3.0 2,-0.3 48,-0.2 35,-0.2 -0.852 40.5 178.8 -92.0 111.5 8.9 -28.8 58.5 8 8 A S > - 0 0 55 -2,-0.7 3,-3.7 28,-0.1 4,-0.4 -0.781 44.7 -85.7-117.8 160.4 11.4 -30.7 60.6 9 9 A T G > S+ 0 0 119 1,-0.3 3,-1.7 -2,-0.3 -1,-0.0 0.728 125.0 54.4 -24.6 -55.1 11.4 -33.9 62.7 10 10 A T G 3 S+ 0 0 126 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.737 105.9 55.5 -59.7 -24.5 10.0 -32.2 65.8 11 11 A D G <> S+ 0 0 24 -3,-3.7 4,-1.8 1,-0.2 -1,-0.3 0.508 83.4 87.5 -85.3 -12.6 7.0 -30.9 63.7 12 12 A L H <> S+ 0 0 12 -3,-1.7 4,-3.0 -4,-0.4 5,-0.2 0.883 80.8 53.8 -71.1 -40.9 5.9 -34.3 62.4 13 13 A P H > S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.940 111.2 47.9 -54.1 -47.9 3.5 -35.5 65.2 14 14 A A H > S+ 0 0 50 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.929 115.3 45.7 -56.0 -44.1 1.5 -32.2 65.0 15 15 A A H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 -1,-0.2 0.854 106.9 57.7 -68.4 -37.0 1.4 -32.5 61.1 16 16 A W H X S+ 0 0 29 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.906 105.3 51.8 -60.8 -38.9 0.4 -36.2 61.4 17 17 A Q H X S+ 0 0 106 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.894 111.1 47.3 -59.8 -43.4 -2.6 -35.1 63.4 18 18 A I H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 3,-0.5 0.910 108.1 55.8 -66.0 -43.5 -3.4 -32.6 60.6 19 19 A E H X S+ 0 0 0 -4,-3.4 4,-1.3 1,-0.2 -2,-0.2 0.903 111.1 44.0 -53.2 -43.0 -3.0 -35.3 58.0 20 20 A Q H < S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.686 117.0 46.2 -80.4 -18.6 -5.5 -37.5 59.7 21 21 A R H < S+ 0 0 110 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.743 116.3 39.8 -90.9 -27.9 -8.0 -34.7 60.3 22 22 A A H < S+ 0 0 33 -4,-2.3 2,-0.5 -5,-0.1 -2,-0.2 0.713 105.5 66.0-100.9 -23.9 -8.0 -33.0 56.9 23 23 A H < - 0 0 44 -4,-1.3 -1,-0.1 -5,-0.3 47,-0.0 -0.879 61.1-155.6-101.6 127.8 -7.9 -36.0 54.5 24 24 A A S S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.3 108,-0.0 0.911 103.0 30.0 -63.8 -38.0 -10.8 -38.4 54.3 25 25 A F S S- 0 0 86 -3,-0.1 -1,-0.3 106,-0.1 -5,-0.1 -0.713 91.0-173.3-120.3 79.8 -8.3 -41.0 53.1 26 26 A P - 0 0 50 0, 0.0 -6,-0.1 0, 0.0 3,-0.1 -0.096 30.0 -95.0 -67.8 168.7 -5.0 -40.0 54.7 27 27 A W - 0 0 22 1,-0.1 2,-0.3 2,-0.1 -4,-0.1 -0.194 49.3 -91.7 -65.3 170.6 -1.6 -41.6 53.9 28 28 A S > - 0 0 41 1,-0.1 4,-3.5 432,-0.0 5,-0.2 -0.646 35.6-112.5 -78.6 149.6 -0.3 -44.4 56.1 29 29 A E H > S+ 0 0 115 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.891 117.9 49.6 -44.6 -49.5 1.8 -43.4 59.1 30 30 A K H > S+ 0 0 181 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.948 113.1 45.5 -62.6 -49.6 4.9 -45.1 57.5 31 31 A T H > S+ 0 0 20 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.907 115.3 49.4 -57.7 -42.1 4.3 -43.4 54.2 32 32 A F H >< S+ 0 0 0 -4,-3.5 3,-1.0 1,-0.2 -2,-0.2 0.964 113.6 42.5 -66.3 -49.2 3.8 -40.2 56.0 33 33 A F H 3< S+ 0 0 83 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.631 111.2 59.9 -70.5 -12.9 6.9 -40.4 58.2 34 34 A G H 3< S+ 0 0 49 -4,-1.4 2,-1.4 -5,-0.2 -1,-0.2 0.628 82.2 82.1 -88.3 -18.5 8.9 -41.5 55.2 35 35 A N S << S+ 0 0 14 -4,-1.0 2,-0.3 -3,-1.0 -1,-0.2 -0.298 77.8 84.8 -88.0 58.1 8.2 -38.5 53.0 36 36 A Q + 0 0 43 -2,-1.4 2,-0.3 -3,-0.1 -28,-0.1 -0.879 63.1 44.0-141.9 168.6 11.0 -36.4 54.6 37 37 A G S > S+ 0 0 51 -2,-0.3 3,-2.3 3,-0.2 415,-0.2 -0.647 86.7 39.7 97.3-146.5 14.7 -36.0 54.0 38 38 A E T 3 S+ 0 0 81 1,-0.3 3,-0.1 -2,-0.3 413,-0.1 -0.091 125.6 1.7 -54.1 124.0 16.7 -35.7 50.7 39 39 A R T 3 S+ 0 0 63 1,-0.3 20,-2.4 19,-0.1 2,-0.5 0.409 99.0 126.5 79.5 2.2 15.1 -33.6 48.0 40 40 A Y B < -B 58 0A 34 -3,-2.3 2,-0.7 18,-0.2 412,-0.5 -0.804 40.0-171.0 -93.4 128.8 12.1 -32.7 50.2 41 41 A L - 0 0 0 16,-2.7 2,-0.5 -2,-0.5 16,-0.5 -0.869 22.0-179.8-112.0 90.0 11.3 -29.1 50.7 42 42 A N - 0 0 6 -2,-0.7 -35,-3.0 -35,-0.2 2,-0.3 -0.843 4.1-170.2-105.6 134.2 8.7 -29.4 53.4 43 43 A L E -AC 6 55A 0 12,-2.2 12,-2.3 -2,-0.5 2,-0.3 -0.850 10.9-164.1-124.4 149.4 6.9 -26.5 54.9 44 44 A K E -AC 5 54A 28 -39,-3.3 -39,-2.5 -2,-0.3 2,-0.5 -0.941 12.7-143.9-126.2 154.7 4.6 -25.6 57.7 45 45 A L E -AC 4 53A 0 8,-2.5 7,-3.0 -2,-0.3 8,-1.5 -0.987 16.4-160.9-118.3 125.7 2.4 -22.6 58.5 46 46 A T E -AC 3 51A 27 -43,-2.8 -43,-2.5 -2,-0.5 2,-0.7 -0.910 7.0-163.0-109.7 123.6 2.1 -21.6 62.1 47 47 A A E > -AC 2 50A 4 3,-2.5 3,-1.2 -2,-0.5 2,-0.4 -0.908 63.8 -63.5-106.4 104.1 -0.7 -19.5 63.3 48 48 A D T 3 S- 0 0 100 -47,-1.9 -45,-0.0 -2,-0.7 -2,-0.0 -0.427 122.7 -6.3 59.2-111.8 0.3 -18.1 66.7 49 49 A D T 3 S+ 0 0 155 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.939 122.9 69.9 -71.7 -51.5 0.6 -21.1 68.8 50 50 A R E < S-C 47 0A 111 -3,-1.2 -3,-2.5 1,-0.1 2,-0.5 -0.349 77.3-122.1 -89.0 148.0 -0.7 -23.8 66.6 51 51 A M E +C 46 0A 21 -5,-0.2 -5,-0.2 1,-0.2 3,-0.1 -0.726 33.4 178.6 -69.6 129.2 0.6 -25.5 63.5 52 52 A A E + 0 0 0 -7,-3.0 20,-2.7 -2,-0.5 2,-0.3 0.686 54.2 0.6-109.5 -25.3 -2.2 -24.8 61.0 53 53 A A E -CD 45 71A 0 -8,-1.5 -8,-2.5 18,-0.2 2,-0.3 -0.994 51.0-164.3-158.7 163.9 -0.9 -26.4 57.8 54 54 A F E -CD 44 70A 0 16,-2.0 16,-2.4 -2,-0.3 2,-0.3 -0.980 4.3-159.5-150.2 162.5 1.8 -28.3 56.1 55 55 A A E -CD 43 69A 2 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.5 -0.986 8.5-151.2-146.7 133.3 2.9 -29.1 52.5 56 56 A I E + D 0 68A 0 12,-2.6 11,-1.4 -2,-0.3 12,-1.3 -0.945 23.9 172.5-107.8 119.2 5.2 -31.9 51.3 57 57 A T E - D 0 66A 1 -2,-0.5 -16,-2.7 -16,-0.5 2,-0.4 -0.978 19.1-157.9-131.1 140.0 7.2 -31.2 48.2 58 58 A Q E -BD 40 65A 55 7,-2.3 7,-2.5 -2,-0.4 2,-0.5 -0.960 9.0-154.3-116.2 134.1 9.9 -33.0 46.3 59 59 A V E + D 0 64A 14 -20,-2.4 2,-0.4 -2,-0.4 5,-0.2 -0.917 16.6 170.8-109.8 119.3 12.3 -31.3 43.9 60 60 A V E > - D 0 63A 75 3,-2.0 3,-2.2 -2,-0.5 2,-0.3 -0.996 66.7 -41.4-125.5 125.5 14.0 -33.2 41.1 61 61 A L T 3 S- 0 0 108 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.427 121.3 -29.7 57.2-116.6 16.0 -31.3 38.5 62 62 A D T 3 S+ 0 0 26 -2,-0.3 36,-3.5 35,-0.1 37,-0.9 0.050 124.0 80.0-124.5 22.7 13.9 -28.2 37.8 63 63 A E E < -De 60 99A 67 -3,-2.2 -3,-2.0 34,-0.2 2,-0.3 -0.898 58.8-161.5-122.0 159.0 10.5 -29.6 38.4 64 64 A A E -De 59 100A 1 35,-2.4 37,-2.6 -2,-0.3 2,-0.5 -0.980 9.3-148.5-137.3 151.1 8.7 -30.3 41.7 65 65 A T E -De 58 101A 29 -7,-2.5 -7,-2.3 -2,-0.3 2,-1.2 -0.983 10.0-147.6-120.8 122.4 5.8 -32.4 42.9 66 66 A L E -D 57 0A 3 35,-3.2 37,-0.5 -2,-0.5 -9,-0.2 -0.788 19.2-178.7 -81.8 97.0 3.6 -31.2 45.7 67 67 A F E + 0 0 9 -11,-1.4 391,-2.5 -2,-1.2 2,-0.3 0.675 63.8 2.4 -64.8 -24.9 2.7 -34.6 47.2 68 68 A N E -D 56 0A 0 -12,-1.3 -12,-2.6 389,-0.2 2,-0.4 -0.892 50.7-177.0-168.4 130.6 0.5 -33.2 49.9 69 69 A I E +D 55 0A 23 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.998 16.5 174.7-130.3 141.1 -1.0 -30.0 51.2 70 70 A A E -D 54 0A 4 -16,-2.4 -16,-2.0 -2,-0.4 2,-0.5 -0.950 18.0-170.4-149.9 122.5 -3.3 -29.9 54.3 71 71 A V E -D 53 0A 19 -2,-0.3 -18,-0.2 -18,-0.2 5,-0.1 -0.945 39.7-112.4-107.5 131.8 -4.8 -27.1 56.3 72 72 A D >> - 0 0 2 -20,-2.7 3,-2.3 -2,-0.5 4,-0.6 -0.350 25.9-115.3 -62.7 142.7 -6.3 -28.4 59.6 73 73 A P G >4 S+ 0 0 57 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.867 116.3 59.6 -47.6 -43.0 -10.2 -28.1 59.6 74 74 A D G 34 S+ 0 0 89 1,-0.2 -2,-0.1 -22,-0.0 -22,-0.0 0.740 112.7 40.3 -53.8 -25.4 -10.0 -25.5 62.5 75 75 A F G X4 S+ 0 0 20 -3,-2.3 3,-0.6 -23,-0.2 5,-0.4 0.406 89.2 121.7-109.2 1.8 -7.9 -23.3 60.1 76 76 A Q T << + 0 0 80 -3,-1.2 -4,-0.0 -4,-0.6 0, 0.0 -0.046 65.7 21.8 -71.4 168.0 -9.6 -23.7 56.7 77 77 A R T 3 S+ 0 0 249 1,-0.1 -1,-0.2 -6,-0.0 -2,-0.0 0.786 91.8 105.2 44.7 35.3 -11.2 -21.1 54.4 78 78 A R S < S- 0 0 169 -3,-0.6 -1,-0.1 0, 0.0 -2,-0.1 0.200 99.2-102.0-119.7 12.9 -9.1 -18.4 56.1 79 79 A G S > S+ 0 0 42 3,-0.0 4,-1.6 4,-0.0 -3,-0.1 0.574 91.0 116.4 82.3 11.2 -6.6 -18.0 53.3 80 80 A L H > S+ 0 0 10 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.860 70.6 57.3 -81.1 -35.9 -3.8 -20.0 54.9 81 81 A G H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.955 111.4 41.9 -54.9 -54.8 -3.8 -22.7 52.2 82 82 A R H > S+ 0 0 95 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.906 113.4 53.5 -59.3 -45.4 -3.2 -20.1 49.5 83 83 A M H X S+ 0 0 54 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.928 110.5 45.6 -59.8 -45.9 -0.6 -18.3 51.6 84 84 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.916 113.4 50.5 -62.7 -44.5 1.4 -21.4 52.2 85 85 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.893 109.4 51.7 -58.8 -43.3 1.2 -22.4 48.5 86 86 A E H X S+ 0 0 86 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.897 108.0 50.8 -62.4 -41.9 2.4 -18.9 47.6 87 87 A H H X S+ 0 0 84 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.908 110.7 50.2 -62.4 -36.0 5.4 -19.1 49.9 88 88 A L H X S+ 0 0 1 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.936 108.0 51.8 -68.8 -45.4 6.3 -22.5 48.3 89 89 A I H X S+ 0 0 23 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.933 110.7 47.9 -57.8 -47.2 6.0 -21.1 44.8 90 90 A D H X S+ 0 0 86 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.900 112.7 50.3 -57.0 -44.7 8.4 -18.2 45.6 91 91 A E H X S+ 0 0 6 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.928 109.3 49.3 -65.2 -44.2 10.7 -20.7 47.2 92 92 A L H <>S+ 0 0 0 -4,-3.3 5,-2.6 1,-0.2 3,-0.2 0.856 107.8 56.1 -60.9 -35.1 10.7 -23.0 44.2 93 93 A E H ><5S+ 0 0 11 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.917 104.7 50.4 -65.0 -46.7 11.4 -20.1 41.8 94 94 A T H 3<5S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.728 109.5 55.4 -57.6 -22.3 14.6 -19.1 43.8 95 95 A R T 3<5S- 0 0 41 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.455 119.8-109.7 -95.7 0.3 15.5 -22.8 43.4 96 96 A G T < 5 + 0 0 20 -3,-1.5 2,-0.4 1,-0.3 -3,-0.2 0.610 64.7 152.8 86.8 13.2 15.2 -22.8 39.6 97 97 A V < - 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