==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 28-MAR-08 2K29 . COMPND 2 MOLECULE: ANTITOXIN RELB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.LI,Y.ZHANG,M.INOUYE,M.IKURA . 100 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 68.0 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 . 8 8.0 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 . 0 0.0 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 . 5 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 48.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 0 0 0 2 0 2 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 . 0 0 0 0 0 0 1 0 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 . 1 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 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 0 152 0, 0.0 2,-0.3 0, 0.0 59,-0.3 0.000 360.0 360.0 360.0 162.2 -3.4 12.0 11.3 2 2 A G E -A 59 0A 26 57,-2.3 57,-1.7 0, 0.0 2,-0.4 -0.862 360.0-118.7-135.2 168.3 -3.8 8.5 12.8 3 3 A S E -A 58 0A 76 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.848 22.7-168.9-112.1 143.8 -1.9 5.2 13.0 4 4 A I E -A 57 0A 23 53,-2.3 53,-2.0 -2,-0.4 2,-0.5 -0.873 22.0-119.8-125.1 159.9 -3.0 1.8 11.7 5 5 A N E -A 56 0A 92 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.906 26.7-174.4-105.3 125.6 -1.7 -1.7 12.2 6 6 A L E -A 55 0A 2 49,-2.0 49,-2.4 -2,-0.5 2,-0.4 -0.913 4.7-163.1-116.5 144.0 -0.5 -3.7 9.2 7 7 A R E +A 54 0A 141 -2,-0.4 2,-0.3 47,-0.2 47,-0.2 -0.975 20.4 148.1-136.9 119.0 0.6 -7.3 9.4 8 8 A I E -A 53 0A 5 45,-1.7 45,-2.5 -2,-0.4 2,-0.1 -0.907 55.6 -71.5-140.3 169.1 2.6 -9.2 6.8 9 9 A D >> - 0 0 77 -2,-0.3 4,-2.1 43,-0.3 3,-0.8 -0.441 42.8-130.4 -63.6 136.2 5.1 -12.1 6.7 10 10 A D H 3> S+ 0 0 85 1,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.829 104.4 59.3 -60.3 -34.7 8.5 -10.8 8.1 11 11 A E H 3> S+ 0 0 115 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.864 109.0 43.4 -65.0 -35.5 10.4 -12.1 5.1 12 12 A L H <> S+ 0 0 43 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.915 109.2 56.3 -77.3 -43.3 8.4 -10.0 2.6 13 13 A K H X S+ 0 0 57 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.860 103.3 57.7 -53.6 -38.6 8.5 -6.9 4.9 14 14 A A H X S+ 0 0 43 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.934 109.4 42.2 -58.9 -50.1 12.3 -7.3 4.8 15 15 A R H X S+ 0 0 147 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.934 116.3 48.4 -64.0 -47.8 12.5 -7.0 0.9 16 16 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 3,-0.3 0.962 114.8 42.6 -58.8 -57.3 9.9 -4.2 0.7 17 17 A Y H X S+ 0 0 48 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.888 112.1 55.9 -59.9 -38.4 11.5 -2.0 3.4 18 18 A A H X S+ 0 0 47 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.883 109.1 47.6 -60.1 -42.0 15.0 -2.7 2.0 19 19 A A H X S+ 0 0 2 -4,-2.1 4,-1.3 -3,-0.3 -2,-0.2 0.926 114.8 43.4 -65.4 -46.2 13.8 -1.4 -1.4 20 20 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.4 0.887 111.4 53.0 -72.7 -36.4 12.2 1.8 -0.2 21 21 A E H <5S+ 0 0 138 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.757 107.5 53.1 -72.0 -22.2 14.9 2.7 2.2 22 22 A K H <5S+ 0 0 139 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.840 107.5 50.3 -79.6 -34.5 17.5 2.4 -0.6 23 23 A M T <5S- 0 0 21 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.504 119.3-116.5 -76.5 -7.7 15.5 4.8 -2.8 24 24 A G T 5S+ 0 0 25 -4,-0.4 2,-0.5 1,-0.3 -3,-0.2 0.613 70.6 137.4 81.4 13.1 15.4 7.1 0.2 25 25 A V < - 0 0 2 -5,-2.6 -1,-0.3 75,-0.2 -2,-0.2 -0.829 55.9-122.6 -97.5 126.0 11.7 6.9 0.6 26 26 A T >> - 0 0 53 75,-2.3 4,-2.1 -2,-0.5 3,-1.0 -0.416 16.0-129.0 -63.0 137.2 10.2 6.5 4.1 27 27 A P H 3> S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.914 110.9 56.6 -52.0 -47.1 8.0 3.3 4.5 28 28 A S H 3> S+ 0 0 30 1,-0.2 4,-1.2 2,-0.2 30,-0.1 0.819 109.6 47.4 -53.9 -32.1 5.2 5.5 6.0 29 29 A E H <> S+ 0 0 60 -3,-1.0 4,-2.5 2,-0.2 5,-0.3 0.903 107.0 53.1 -79.7 -45.0 5.4 7.5 2.7 30 30 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.880 113.8 44.7 -57.6 -40.1 5.4 4.5 0.3 31 31 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.857 109.5 57.7 -70.7 -35.5 2.2 3.2 2.0 32 32 A R H X S+ 0 0 95 -4,-1.2 4,-1.1 -5,-0.3 -2,-0.2 0.942 108.0 44.6 -59.4 -48.8 0.8 6.7 2.0 33 33 A L H X S+ 0 0 13 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.746 109.7 57.9 -71.4 -23.0 1.0 7.1 -1.8 34 34 A M H X S+ 0 0 0 -4,-1.0 4,-2.3 -5,-0.3 5,-0.2 0.922 102.0 53.5 -66.9 -43.5 -0.4 3.6 -2.0 35 35 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.802 105.9 56.3 -62.7 -28.6 -3.5 4.7 -0.1 36 36 A E H X S+ 0 0 76 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.940 108.4 44.0 -66.2 -48.8 -3.8 7.4 -2.7 37 37 A Y H X S+ 0 0 45 -4,-1.6 4,-2.6 1,-0.2 5,-0.4 0.847 113.4 50.2 -71.9 -33.1 -3.9 5.0 -5.7 38 38 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.924 112.8 47.5 -68.3 -41.1 -6.3 2.6 -4.1 39 39 A A H < S+ 0 0 21 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.866 120.3 37.7 -65.9 -38.0 -8.7 5.4 -3.1 40 40 A D H < S+ 0 0 128 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.869 126.3 34.7 -82.0 -38.8 -8.5 6.9 -6.7 41 41 A N H < S- 0 0 53 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.845 78.3-163.2 -89.1 -35.5 -8.4 3.7 -8.7 42 42 A E S < S+ 0 0 89 -4,-2.2 -4,-0.1 -5,-0.4 -3,-0.1 0.890 72.2 74.4 50.5 48.3 -10.7 1.6 -6.5 43 43 A R S S- 0 0 162 -5,-0.1 4,-0.2 3,-0.0 -1,-0.1 0.471 80.1-143.2-151.2 -41.0 -9.4 -1.6 -8.2 44 44 A L - 0 0 11 -7,-0.2 3,-0.3 1,-0.1 37,-0.0 0.415 27.6-102.1 70.2 144.0 -5.8 -2.6 -7.2 45 45 A P S S- 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.947 107.9 -0.3 -59.8 -48.7 -3.3 -4.0 -9.6 46 46 A F - 0 0 152 35,-0.1 -2,-0.1 2,-0.1 38,-0.1 -0.898 59.8-172.7-148.9 108.3 -3.8 -7.6 -8.3 47 47 A K + 0 0 102 -2,-0.3 34,-0.1 -3,-0.3 -3,-0.0 -0.016 31.3 159.1 -93.4 30.5 -6.2 -8.3 -5.5 48 48 A Q - 0 0 75 1,-0.1 36,-0.1 32,-0.1 -2,-0.1 -0.174 33.1-161.1 -55.5 144.9 -5.1 -11.9 -5.2 49 49 A T 0 0 113 27,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.179 360.0 360.0-111.6 13.0 -5.9 -13.6 -1.9 50 50 A L 0 0 192 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.998 360.0 360.0 63.5 360.0 -3.4 -16.4 -2.4 51 !* 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 52 101 B M 0 0 163 0, 0.0 2,-0.3 0, 0.0 -43,-0.3 0.000 360.0 360.0 360.0 163.1 4.6 -12.5 10.5 53 102 B G E -A 8 0A 27 -45,-2.5 -45,-1.7 0, 0.0 2,-0.4 -0.868 360.0-118.6-135.5 167.3 4.9 -9.2 12.2 54 103 B S E -A 7 0A 82 -2,-0.3 2,-0.3 -47,-0.2 -47,-0.2 -0.851 22.6-169.1-111.6 144.0 3.0 -5.9 12.6 55 104 B I E -A 6 0A 27 -49,-2.4 -49,-2.0 -2,-0.4 2,-0.5 -0.872 22.3-119.8-125.1 160.4 4.1 -2.4 11.6 56 105 B N E -A 5 0A 90 -2,-0.3 2,-0.4 -51,-0.2 -51,-0.2 -0.905 26.7-174.3-105.9 126.4 2.8 1.1 12.4 57 106 B L E -A 4 0A 1 -53,-2.0 -53,-2.3 -2,-0.5 2,-0.4 -0.915 4.7-163.3-117.1 144.2 1.7 3.2 9.4 58 107 B R E +A 3 0A 145 -2,-0.4 2,-0.3 -55,-0.2 -55,-0.2 -0.976 20.6 147.7-136.8 119.7 0.6 6.9 9.9 59 108 B I E -A 2 0A 3 -57,-1.7 -57,-2.3 -2,-0.4 2,-0.1 -0.898 55.6 -70.9-141.0 170.1 -1.4 9.0 7.4 60 109 B D >> - 0 0 79 -2,-0.3 4,-2.1 -59,-0.3 3,-0.8 -0.439 42.5-130.4 -65.2 136.0 -3.9 11.8 7.4 61 110 B D H 3> S+ 0 0 89 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.833 104.3 59.0 -60.2 -33.6 -7.2 10.5 8.6 62 111 B E H 3> S+ 0 0 110 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.860 109.0 43.8 -65.8 -33.9 -9.1 12.0 5.7 63 112 B L H <> S+ 0 0 26 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.915 109.2 56.2 -77.5 -44.3 -7.1 10.0 3.2 64 113 B K H X S+ 0 0 42 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.856 103.3 57.8 -52.3 -39.7 -7.3 6.8 5.2 65 114 B A H X S+ 0 0 46 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.940 109.2 42.4 -59.6 -48.7 -11.1 7.1 5.0 66 115 B R H X S+ 0 0 135 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.937 116.2 48.2 -64.8 -47.7 -11.1 7.2 1.2 67 116 B S H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.2 0.962 114.9 42.9 -58.6 -57.1 -8.6 4.4 0.8 68 117 B Y H X S+ 0 0 53 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.873 112.0 55.8 -58.0 -40.1 -10.2 2.0 3.3 69 118 B A H X S+ 0 0 51 -4,-2.0 4,-1.0 -5,-0.3 -1,-0.2 0.892 109.1 47.6 -59.8 -41.7 -13.6 2.8 1.9 70 119 B A H X S+ 0 0 2 -4,-2.1 4,-1.3 -3,-0.2 -2,-0.2 0.925 114.7 43.2 -66.1 -47.5 -12.4 1.8 -1.6 71 120 B L H <>S+ 0 0 2 -4,-2.2 5,-2.7 1,-0.2 4,-0.4 0.887 111.5 53.3 -72.2 -35.8 -10.8 -1.5 -0.6 72 121 B E H <5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 107.2 52.8 -71.7 -22.6 -13.6 -2.6 1.7 73 122 B K H <5S+ 0 0 122 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.847 107.7 50.5 -80.3 -33.4 -16.2 -2.1 -1.1 74 123 B M T <5S- 0 0 33 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.511 119.2-116.5 -76.3 -9.2 -14.1 -4.3 -3.4 75 124 B G T 5S+ 0 0 63 -4,-0.4 2,-0.5 1,-0.3 -3,-0.2 0.625 70.4 138.2 82.2 14.7 -14.1 -6.8 -0.6 76 125 B V < - 0 0 11 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.838 55.5-122.9 -97.4 125.7 -10.3 -6.6 -0.2 77 126 B T >> - 0 0 79 -2,-0.5 4,-2.2 1,-0.1 3,-0.9 -0.389 16.0-129.0 -64.2 137.2 -8.9 -6.5 3.4 78 127 B P H 3> S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.921 110.7 56.7 -52.9 -45.8 -6.8 -3.4 4.1 79 128 B S H 3> S+ 0 0 32 1,-0.2 4,-1.2 2,-0.2 -72,-0.1 0.822 109.5 47.4 -54.5 -32.8 -4.0 -5.7 5.5 80 129 B E H <> S+ 0 0 59 -3,-0.9 4,-2.5 2,-0.2 5,-0.3 0.909 106.6 53.5 -78.8 -44.6 -4.1 -7.4 2.1 81 130 B A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.878 113.7 44.6 -57.4 -38.5 -4.0 -4.3 -0.1 82 131 B L H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.847 109.5 57.6 -73.6 -34.4 -0.9 -3.1 1.7 83 132 B R H X S+ 0 0 18 -4,-1.2 4,-1.1 -5,-0.3 -2,-0.2 0.941 108.1 44.6 -59.2 -49.5 0.6 -6.6 1.6 84 133 B L H X S+ 0 0 9 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.751 109.8 57.8 -71.0 -23.7 0.4 -6.7 -2.3 85 134 B M H X S+ 0 0 0 -4,-1.0 4,-2.3 -5,-0.3 5,-0.3 0.925 102.1 53.5 -64.7 -45.4 1.8 -3.2 -2.2 86 135 B L H X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.799 105.8 56.4 -62.4 -28.6 4.8 -4.4 -0.3 87 136 B E H X S+ 0 0 75 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.937 108.2 44.4 -66.2 -47.4 5.2 -7.0 -3.1 88 137 B Y H X S+ 0 0 45 -4,-1.6 4,-2.7 2,-0.2 5,-0.4 0.852 113.1 50.1 -72.6 -33.5 5.4 -4.4 -5.9 89 138 B I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.921 112.8 47.7 -67.8 -40.2 7.8 -2.1 -4.1 90 139 B A H < S+ 0 0 22 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.865 120.2 37.5 -66.7 -37.8 10.1 -5.0 -3.3 91 140 B D H < S+ 0 0 135 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.870 126.0 35.4 -82.9 -37.9 10.0 -6.3 -6.9 92 141 B N H < S- 0 0 71 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.839 75.8-165.8 -88.5 -37.2 10.0 -2.9 -8.7 93 142 B E S < S+ 0 0 84 -4,-2.3 -4,-0.1 -5,-0.4 -3,-0.1 0.789 73.1 75.3 52.8 32.7 12.3 -0.9 -6.4 94 143 B R S S- 0 0 158 -5,-0.1 4,-0.1 3,-0.0 -1,-0.1 0.586 73.2-161.9-138.2 -38.3 11.0 2.3 -8.1 95 144 B L - 0 0 6 -7,-0.2 3,-0.3 1,-0.1 -65,-0.0 0.218 42.9 -87.3 65.8 162.8 7.5 3.2 -7.1 96 145 B P S S+ 0 0 69 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.870 124.8 12.0 -66.3 -38.1 5.2 5.6 -9.1 97 146 B F - 0 0 143 -67,-0.1 2,-0.1 2,-0.1 -64,-0.1 -0.901 68.9-179.3-142.1 107.0 6.8 8.4 -7.1 98 147 B K + 0 0 102 -2,-0.3 -3,-0.1 -3,-0.3 -68,-0.0 -0.307 15.5 179.9-106.7 49.2 9.9 7.5 -5.0 99 148 B Q - 0 0 68 1,-0.2 2,-2.7 -2,-0.1 -73,-0.2 -0.202 39.0-120.2 -42.8 130.5 10.6 10.9 -3.5 100 149 B T 0 0 112 -75,-0.1 -75,-0.2 1,-0.0 -1,-0.2 -0.427 360.0 360.0 -75.5 64.9 13.6 10.8 -1.3 101 150 B L 0 0 128 -2,-2.7 -75,-2.3 -75,-0.1 -72,-0.2 -0.913 360.0 360.0-112.4 360.0 11.4 11.9 1.5