==== 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 23-MAY-06 2CNS . COMPND 2 MOLECULE: MODIFICATION OF 30S RIBOSOMAL SUBUNIT PROTEIN S18 . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM LT2; . AUTHOR M.W.VETTING,D.C.BAREICH,M.YU,J.S.BLANCHARD . 453 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 28.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 22.7 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 1 2 0 0 1 2 3 0 0 0 2 1 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 . 3 0 0 0 6 0 5 4 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 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 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 0 153 0, 0.0 47,-2.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 155.9 0.9 -14.2 63.7 2 2 A N E -A 47 0A 74 45,-0.2 2,-0.5 46,-0.1 45,-0.2 -0.911 360.0-174.6-111.3 110.4 1.4 -16.7 60.8 3 3 A T E -A 46 0A 73 43,-2.5 43,-2.9 -2,-0.6 2,-0.5 -0.921 9.2-160.2-114.5 123.3 4.9 -18.1 60.6 4 4 A I E +A 45 0A 20 -2,-0.5 2,-0.3 41,-0.2 41,-0.2 -0.849 27.8 150.2 -99.9 130.7 5.9 -20.4 57.8 5 5 A S E -A 44 0A 33 39,-2.3 39,-2.9 -2,-0.5 2,-0.2 -0.906 49.7 -65.8-151.4 172.8 8.9 -22.5 58.4 6 6 A I E -A 43 0A 50 -2,-0.3 2,-0.6 37,-0.2 37,-0.3 -0.470 47.0-128.2 -64.6 134.4 10.7 -25.8 57.7 7 7 A L - 0 0 7 35,-3.5 2,-0.2 48,-0.2 35,-0.2 -0.829 38.9-179.4 -87.0 116.9 8.8 -28.9 59.0 8 8 A S >> - 0 0 54 -2,-0.6 3,-3.1 28,-0.1 4,-0.6 -0.749 44.0 -84.0-121.8 164.1 11.4 -30.9 61.0 9 9 A T G >4 S+ 0 0 121 1,-0.3 3,-1.8 -2,-0.2 -1,-0.0 0.784 125.9 54.2 -30.0 -56.1 11.5 -34.1 63.0 10 10 A T G 34 S+ 0 0 130 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.779 106.3 53.7 -55.5 -29.4 10.1 -32.4 66.2 11 11 A D G <> S+ 0 0 27 -3,-3.1 4,-2.0 1,-0.2 -1,-0.3 0.553 85.5 88.3 -81.9 -12.4 7.1 -31.1 64.2 12 12 A L H S+ 0 0 80 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.956 112.1 45.5 -47.6 -50.4 3.7 -35.7 65.6 14 14 A A H > S+ 0 0 50 -4,-0.3 4,-1.7 1,-0.3 -2,-0.2 0.910 112.3 51.8 -63.3 -42.0 1.5 -32.6 65.3 15 15 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.3 0.840 105.3 55.2 -55.1 -39.0 1.5 -32.8 61.5 16 16 A W H X S+ 0 0 32 -4,-2.4 4,-2.1 -3,-0.3 -1,-0.2 0.899 105.3 53.7 -67.5 -35.9 0.3 -36.4 61.7 17 17 A Q H X S+ 0 0 101 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.890 110.3 46.8 -59.8 -43.6 -2.6 -35.2 63.8 18 18 A I H X S+ 0 0 5 -4,-1.7 4,-2.6 1,-0.2 5,-0.4 0.925 109.1 54.7 -66.5 -41.3 -3.5 -32.7 61.1 19 19 A E H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.905 110.1 47.1 -55.5 -41.5 -3.1 -35.4 58.4 20 20 A Q H < S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.778 117.8 38.8 -79.0 -28.7 -5.6 -37.6 60.2 21 21 A R H < S+ 0 0 131 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.716 121.2 41.8 -89.5 -27.5 -8.3 -34.9 60.8 22 22 A A H < S+ 0 0 29 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.2 0.906 97.2 77.5 -90.6 -44.2 -8.0 -33.1 57.5 23 23 A H < - 0 0 59 -4,-1.7 -1,-0.1 -5,-0.4 47,-0.0 -0.569 59.7-156.7 -78.2 121.6 -7.7 -35.9 54.9 24 24 A A S S+ 0 0 88 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 0.749 101.3 28.1 -67.0 -25.6 -10.8 -37.7 54.0 25 25 A F S S- 0 0 89 -3,-0.0 -1,-0.3 107,-0.0 -5,-0.0 -0.664 96.4-158.4-133.3 79.9 -8.6 -40.6 52.9 26 26 A P - 0 0 66 0, 0.0 -6,-0.1 0, 0.0 3,-0.1 -0.128 17.6-110.7 -62.2 149.1 -5.5 -40.2 55.1 27 27 A W - 0 0 62 1,-0.1 2,-0.2 -8,-0.1 -4,-0.0 -0.299 40.6-101.5 -57.1 159.0 -2.1 -41.7 54.4 28 28 A S > - 0 0 66 1,-0.1 4,-1.7 4,-0.0 -1,-0.1 -0.497 33.0-109.9 -71.1 160.3 -0.9 -44.5 56.6 29 29 A E H > S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.843 116.5 55.7 -58.6 -42.9 1.6 -43.5 59.3 30 30 A K H > S+ 0 0 190 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.942 109.9 46.2 -63.4 -45.3 4.5 -45.4 57.7 31 31 A T H > S+ 0 0 61 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.889 112.3 52.8 -60.2 -39.8 4.0 -43.4 54.4 32 32 A F H >< S+ 0 0 1 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.962 111.6 42.1 -67.2 -48.0 3.7 -40.2 56.4 33 33 A F H 3< S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.670 110.4 61.5 -72.2 -12.6 6.9 -40.6 58.4 34 34 A G H 3< S+ 0 0 51 -4,-1.2 2,-1.2 -5,-0.2 -1,-0.2 0.644 83.8 77.8 -85.7 -18.6 8.7 -41.8 55.1 35 35 A N S << S+ 0 0 26 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.2 -0.416 80.9 87.8 -91.7 61.1 8.1 -38.6 53.2 36 36 A Q + 0 0 42 -2,-1.2 2,-0.3 -3,-0.2 -28,-0.1 -0.943 65.7 25.8-145.8 162.0 10.9 -36.6 54.9 37 37 A G S > S+ 0 0 42 -2,-0.3 3,-2.9 3,-0.2 415,-0.2 -0.642 88.4 57.8 92.2-136.7 14.7 -36.0 54.4 38 38 A E T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.3 413,-0.1 0.002 125.9 -8.8 -42.8 111.1 16.6 -36.2 51.2 39 39 A R T 3 S+ 0 0 48 1,-0.3 20,-2.5 19,-0.1 2,-0.5 0.518 100.5 131.5 74.8 4.7 15.2 -33.8 48.5 40 40 A Y B < -B 58 0A 34 -3,-2.9 2,-0.7 18,-0.2 412,-0.6 -0.810 40.2-168.8 -89.7 130.2 12.1 -33.0 50.6 41 41 A L + 0 0 1 16,-2.6 2,-0.5 -2,-0.5 16,-0.2 -0.825 22.5 178.5-108.1 86.5 11.2 -29.4 51.0 42 42 A N - 0 0 5 -2,-0.7 -35,-3.5 -35,-0.2 2,-0.3 -0.805 5.2-170.2-102.0 129.1 8.6 -29.7 53.8 43 43 A L E -AC 6 55A 0 12,-2.3 12,-2.4 -2,-0.5 2,-0.3 -0.832 10.9-165.1-116.2 148.0 6.9 -26.7 55.3 44 44 A K E -AC 5 54A 28 -39,-2.9 -39,-2.3 -2,-0.3 2,-0.5 -0.917 13.1-143.9-120.2 160.5 4.6 -25.9 58.3 45 45 A L E -AC 4 53A 0 8,-2.8 7,-3.3 -2,-0.3 8,-1.4 -0.994 14.1-157.6-122.5 125.7 2.4 -22.9 59.0 46 46 A T E -AC 3 51A 30 -43,-2.9 -43,-2.5 -2,-0.5 2,-0.8 -0.915 2.9-162.7-109.3 115.9 2.2 -21.9 62.7 47 47 A A E > S-AC 2 50A 8 3,-3.0 3,-0.7 -2,-0.6 -45,-0.2 -0.902 73.4 -36.9-100.2 107.5 -0.8 -19.8 63.7 48 48 A D T 3 S- 0 0 104 -47,-2.6 -1,-0.2 -2,-0.8 -46,-0.1 0.899 126.1 -34.6 44.2 67.6 0.0 -18.2 67.1 49 49 A D T 3 S+ 0 0 154 -48,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.689 123.5 93.8 68.1 18.3 1.9 -21.0 68.7 50 50 A R E < S-C 47 0A 109 -3,-0.7 -3,-3.0 0, 0.0 2,-0.4 -0.991 80.3-115.0-139.6 135.3 -0.1 -23.8 67.1 51 51 A M E +C 46 0A 22 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.552 35.3 173.0 -66.3 124.5 0.6 -25.7 63.9 52 52 A A E - 0 0 0 -7,-3.3 20,-2.5 -2,-0.4 2,-0.3 0.675 59.3 -3.5-104.4 -24.2 -2.2 -24.8 61.5 53 53 A A E -CD 45 71A 0 -8,-1.4 -8,-2.8 18,-0.3 -1,-0.3 -0.987 52.9-159.8-167.7 154.4 -1.0 -26.5 58.3 54 54 A F E -CD 44 70A 0 16,-2.1 16,-2.1 -2,-0.3 2,-0.3 -0.945 4.4-158.0-140.8 163.9 1.8 -28.5 56.6 55 55 A A E -CD 43 69A 0 -12,-2.4 -12,-2.3 -2,-0.3 2,-0.5 -0.969 5.5-154.9-148.7 129.8 3.0 -29.2 53.1 56 56 A I E + D 0 68A 0 12,-3.0 11,-2.2 -2,-0.3 12,-1.5 -0.929 24.8 166.5-108.3 121.6 5.1 -32.1 51.8 57 57 A T E - D 0 66A 0 -2,-0.5 -16,-2.6 9,-0.3 2,-0.4 -0.992 21.9-154.3-138.6 141.0 7.1 -31.5 48.6 58 58 A Q E -BD 40 65A 50 7,-2.4 7,-1.9 -2,-0.3 2,-0.6 -0.972 9.3-150.4-118.4 136.1 9.9 -33.2 46.7 59 59 A V E + D 0 64A 11 -20,-2.5 2,-0.4 -2,-0.4 5,-0.2 -0.877 18.3 170.9-108.4 119.8 12.4 -31.5 44.4 60 60 A V E > - D 0 63A 73 3,-2.1 3,-2.1 -2,-0.6 2,-0.1 -0.992 65.3 -44.2-128.0 125.6 14.0 -33.4 41.5 61 61 A L T 3 S- 0 0 103 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.385 121.6 -27.0 54.1-124.6 16.0 -31.5 38.9 62 62 A D T 3 S+ 0 0 28 -2,-0.1 36,-3.0 35,-0.1 37,-0.9 0.004 126.8 73.8-110.6 26.8 14.0 -28.3 38.1 63 63 A E E < -De 60 99A 62 -3,-2.1 -3,-2.1 34,-0.2 2,-0.3 -0.870 58.2-167.1-130.3 167.6 10.6 -29.8 38.9 64 64 A A E -De 59 100A 2 35,-1.9 37,-2.9 -2,-0.3 2,-0.4 -0.987 13.8-138.8-151.1 159.5 8.8 -30.7 42.1 65 65 A T E -De 58 101A 43 -7,-1.9 -7,-2.4 -2,-0.3 2,-1.0 -0.988 9.6-146.7-125.3 124.9 5.8 -32.6 43.4 66 66 A L E +D 57 0A 7 35,-2.9 37,-0.4 -2,-0.4 -9,-0.3 -0.828 22.9 177.3 -80.8 103.5 3.4 -31.4 46.2 67 67 A F E + 0 0 82 -11,-2.2 2,-0.3 -2,-1.0 -10,-0.2 0.729 63.0 3.6 -81.5 -21.6 2.6 -34.8 47.7 68 68 A N E +D 56 0A 6 -12,-1.5 -12,-3.0 -3,-0.1 2,-0.3 -0.930 50.8 176.2-168.0 129.9 0.5 -33.3 50.4 69 69 A I E +D 55 0A 24 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.985 17.3 172.1-134.3 142.3 -1.0 -30.1 51.8 70 70 A A E -D 54 0A 7 -16,-2.1 -16,-2.1 -2,-0.3 2,-0.5 -0.976 19.5-162.8-151.1 132.2 -3.3 -30.0 54.8 71 71 A V E -D 53 0A 17 -2,-0.3 -18,-0.3 -18,-0.2 5,-0.1 -0.969 37.0-110.9-111.3 130.6 -4.9 -27.4 57.0 72 72 A D > - 0 0 7 -20,-2.5 3,-2.0 -2,-0.5 4,-0.4 -0.337 28.8-115.5 -57.6 140.6 -6.3 -28.5 60.3 73 73 A P G > S+ 0 0 56 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.795 115.0 60.1 -48.1 -38.5 -10.1 -28.2 60.4 74 74 A D G 3 S+ 0 0 91 1,-0.2 -2,-0.1 -22,-0.0 -22,-0.1 0.796 113.3 38.5 -57.0 -29.2 -10.0 -25.6 63.1 75 75 A F G X S+ 0 0 23 -3,-2.0 3,-0.7 -23,-0.2 5,-0.5 0.326 89.9 119.2-107.4 6.1 -8.0 -23.3 60.8 76 76 A Q T < + 0 0 92 -3,-0.8 -4,-0.0 -4,-0.4 0, 0.0 -0.221 68.1 25.0 -77.0 166.0 -9.6 -24.0 57.4 77 77 A R T 3 S+ 0 0 254 1,-0.1 -1,-0.2 -6,-0.0 -2,-0.0 0.699 93.9 103.5 54.3 24.1 -11.4 -21.4 55.1 78 78 A R S < S- 0 0 177 -3,-0.7 -2,-0.1 0, 0.0 -1,-0.1 0.330 99.4-103.3-112.8 0.4 -9.2 -18.7 56.8 79 79 A G S > S+ 0 0 45 -4,-0.0 4,-1.7 3,-0.0 5,-0.1 0.465 88.7 117.4 94.2 5.2 -6.7 -18.3 53.9 80 80 A L H > + 0 0 11 -5,-0.5 4,-2.5 2,-0.2 5,-0.2 0.836 68.5 57.5 -78.5 -30.4 -3.8 -20.3 55.4 81 81 A G H > S+ 0 0 14 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.960 110.0 46.0 -62.9 -48.0 -3.7 -23.0 52.8 82 82 A R H > S+ 0 0 99 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.908 112.3 50.3 -57.9 -46.1 -3.2 -20.4 50.1 83 83 A M H X S+ 0 0 59 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.909 110.9 48.7 -63.6 -42.4 -0.5 -18.5 52.2 84 84 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.934 114.2 46.0 -59.7 -49.7 1.4 -21.7 52.8 85 85 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.899 110.6 53.4 -59.3 -46.8 1.3 -22.7 49.1 86 86 A E H X S+ 0 0 82 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.885 109.3 48.4 -55.5 -42.9 2.3 -19.2 48.0 87 87 A H H X S+ 0 0 87 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.857 112.0 49.6 -67.8 -35.8 5.3 -19.3 50.3 88 88 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.924 108.8 52.0 -65.4 -44.3 6.2 -22.7 48.9 89 89 A I H X S+ 0 0 24 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.927 109.7 49.9 -61.0 -46.3 5.9 -21.5 45.3 90 90 A D H X S+ 0 0 81 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.890 111.4 48.7 -51.3 -46.1 8.2 -18.5 46.1 91 91 A E H X S+ 0 0 10 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.913 109.1 52.6 -69.3 -39.0 10.8 -20.9 47.7 92 92 A L H <>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-0.4 0.865 106.4 54.3 -62.4 -36.5 10.6 -23.2 44.7 93 93 A E H ><5S+ 0 0 9 -4,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.948 105.0 51.6 -66.9 -47.0 11.3 -20.3 42.3 94 94 A T H 3<5S+ 0 0 63 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.743 107.6 55.8 -61.4 -18.9 14.4 -19.3 44.2 95 95 A R T 3<5S- 0 0 43 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.540 121.7-106.9 -91.8 -3.7 15.5 -23.0 43.8 96 96 A G T < 5 + 0 0 21 -3,-1.9 2,-0.5 -4,-0.4 -3,-0.2 0.649 65.2 155.1 97.5 17.2 15.1 -22.9 40.0 97 97 A V < - 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