==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-09 3ID1 . COMPND 2 MOLECULE: REGULATOR OF SIGMA E PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K-12; . AUTHOR X.LI,B.WANG,L.FENG,J.WANG,Y.SHI . 94 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 62.8 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 . 23 24.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 6 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 2 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 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 . 1 1 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 126 A M 0 0 194 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.4 40.6 -8.4 -3.7 2 127 A V + 0 0 79 33,-0.1 35,-0.6 2,-0.1 91,-0.0 -0.015 360.0 147.0-122.8 26.0 37.4 -10.4 -4.0 3 128 A R - 0 0 115 33,-0.2 2,-2.0 1,-0.1 33,-0.2 -0.333 64.6 -99.8 -57.4 147.3 36.1 -10.3 -0.4 4 129 A P + 0 0 0 0, 0.0 22,-2.8 0, 0.0 2,-0.4 -0.496 58.1 167.8 -79.5 84.0 32.2 -10.4 -0.4 5 130 A V B -A 25 0A 5 -2,-2.0 88,-2.7 20,-0.2 2,-0.3 -0.812 37.2-119.1-100.7 132.5 31.6 -6.7 0.1 6 131 A V E +E 92 0B 2 18,-3.0 17,-3.3 -2,-0.4 3,-0.1 -0.557 29.1 179.2 -71.7 127.0 28.0 -5.4 -0.4 7 132 A G E - 0 0 27 84,-2.8 2,-0.3 1,-0.4 -1,-0.2 0.870 66.1 -1.1 -92.0 -51.0 27.9 -2.8 -3.2 8 133 A E E -E 91 0B 105 83,-1.8 83,-2.6 14,-0.1 2,-0.4 -0.970 57.4-145.5-139.7 155.4 24.2 -1.9 -3.2 9 134 A I E -E 90 0B 41 -2,-0.3 2,-0.3 81,-0.2 81,-0.2 -0.991 22.3-131.4-122.1 126.7 21.1 -3.0 -1.3 10 135 A A > - 0 0 52 79,-2.9 3,-1.5 -2,-0.4 6,-0.4 -0.580 32.0-105.6 -78.4 134.7 17.7 -3.1 -3.2 11 136 A A T 3 S+ 0 0 87 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.273 100.8 10.9 -58.5 141.7 14.9 -1.4 -1.4 12 137 A N T 3 S+ 0 0 167 1,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.646 98.4 137.0 66.7 17.1 12.3 -3.7 0.2 13 138 A S S <> S- 0 0 19 -3,-1.5 4,-2.6 76,-0.1 -1,-0.2 -0.315 72.4-103.2 -88.0 173.8 14.5 -6.8 -0.3 14 139 A I H > S+ 0 0 26 73,-0.3 4,-1.6 1,-0.2 57,-0.3 0.919 126.0 46.4 -61.1 -42.6 15.3 -9.6 2.0 15 140 A A H 4>S+ 0 0 0 73,-3.0 5,-2.2 2,-0.2 4,-0.2 0.870 110.8 51.7 -68.7 -36.9 18.7 -8.1 2.7 16 141 A A H >45S+ 0 0 30 -6,-0.4 3,-1.3 72,-0.4 -2,-0.2 0.903 106.8 54.9 -63.8 -41.9 17.1 -4.6 3.2 17 142 A E H 3<5S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.882 108.3 47.6 -56.9 -41.0 14.7 -6.2 5.7 18 143 A A T 3<5S- 0 0 19 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.452 115.2-121.7 -82.6 -0.7 17.7 -7.6 7.7 19 144 A Q T < 5 + 0 0 156 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.2 0.816 49.0 166.1 64.2 35.2 19.3 -4.1 7.5 20 145 A I < - 0 0 7 -5,-2.2 -1,-0.2 39,-0.0 -2,-0.0 -0.640 23.5-149.4 -73.5 139.7 22.5 -5.2 5.7 21 146 A A > - 0 0 47 -2,-0.3 3,-2.0 1,-0.1 -15,-0.3 -0.812 20.5 -88.8-117.6 153.4 24.2 -2.0 4.5 22 147 A P T 3 S+ 0 0 78 0, 0.0 38,-0.3 0, 0.0 -15,-0.2 -0.272 113.7 32.1 -52.9 144.0 26.5 -1.1 1.5 23 148 A G T 3 S+ 0 0 18 -17,-3.3 38,-0.2 1,-0.3 2,-0.2 0.183 87.6 131.3 90.8 -16.5 30.1 -1.6 2.4 24 149 A T < - 0 0 5 -3,-2.0 -18,-3.0 35,-0.1 2,-0.5 -0.460 50.4-140.6 -70.0 138.6 29.4 -4.5 4.7 25 150 A E E -AB 5 58A 28 33,-2.5 33,-2.1 -20,-0.2 2,-0.5 -0.875 8.7-134.0-101.3 131.6 31.5 -7.7 4.2 26 151 A L E + B 0 57A 0 -22,-2.8 31,-0.2 -2,-0.5 3,-0.1 -0.737 26.2 175.9 -80.9 126.5 29.8 -11.1 4.5 27 152 A K E - 0 0 48 29,-3.2 7,-2.5 -2,-0.5 2,-0.3 0.771 59.9 -4.1-101.9 -34.5 32.1 -13.2 6.7 28 153 A A E -CB 33 56A 2 28,-1.4 28,-2.4 5,-0.3 2,-0.5 -0.993 49.7-140.8-158.3 155.8 30.0 -16.4 7.0 29 154 A V E > S-CB 32 55A 0 3,-2.2 3,-1.7 -2,-0.3 26,-0.2 -0.985 90.6 -21.5-123.8 118.1 26.7 -18.1 6.1 30 155 A D T 3 S- 0 0 57 24,-3.7 25,-0.1 -2,-0.5 -1,-0.1 0.875 130.3 -47.4 47.0 44.5 25.3 -20.3 8.8 31 156 A G T 3 S+ 0 0 66 23,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.467 112.1 115.6 84.7 1.4 28.7 -20.7 10.4 32 157 A I E < -C 29 0A 84 -3,-1.7 -3,-2.2 8,-0.0 -1,-0.2 -0.927 68.7-123.3-104.2 119.6 30.7 -21.5 7.3 33 158 A E E -C 28 0A 104 -2,-0.6 -5,-0.3 -5,-0.2 -6,-0.1 -0.330 21.8-155.8 -63.1 136.9 33.3 -18.8 6.5 34 159 A T - 0 0 3 -7,-2.5 6,-0.1 1,-0.1 -1,-0.1 -0.887 13.5-176.7-123.8 100.7 32.8 -17.4 3.0 35 160 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.667 70.7 10.2 -72.6 -22.7 36.0 -15.8 1.5 36 161 A D S > S- 0 0 57 -33,-0.2 4,-1.8 -32,-0.1 -33,-0.2 -0.913 86.3 -92.0-147.6 174.9 34.4 -14.6 -1.7 37 162 A W H > S+ 0 0 20 -35,-0.6 4,-2.6 -2,-0.3 5,-0.2 0.866 122.3 56.7 -61.9 -33.8 31.0 -14.1 -3.3 38 163 A D H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.935 105.7 50.4 -63.0 -42.4 31.1 -17.5 -4.9 39 164 A A H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.887 109.9 51.3 -60.4 -39.1 31.6 -19.1 -1.5 40 165 A V H X S+ 0 0 1 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.941 110.1 49.2 -62.0 -46.8 28.6 -17.1 -0.3 41 166 A R H X S+ 0 0 61 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.892 107.6 53.9 -58.9 -42.9 26.5 -18.4 -3.2 42 167 A L H X S+ 0 0 98 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.890 112.0 44.7 -64.2 -37.8 27.5 -22.0 -2.6 43 168 A Q H X S+ 0 0 37 -4,-1.8 4,-0.5 -5,-0.2 3,-0.4 0.910 111.3 53.4 -70.1 -41.7 26.4 -21.8 1.0 44 169 A L H >< S+ 0 0 1 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.883 102.7 57.6 -60.2 -38.8 23.2 -20.0 0.0 45 170 A V H >< S+ 0 0 65 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.856 101.7 56.6 -59.9 -33.5 22.3 -22.7 -2.5 46 171 A D H 3< S+ 0 0 111 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.682 100.2 60.2 -71.0 -15.0 22.5 -25.2 0.5 47 172 A K T X< S+ 0 0 29 -3,-1.4 3,-2.5 -4,-0.5 2,-0.4 0.413 71.8 120.1 -94.4 0.4 19.8 -23.0 2.2 48 173 A I T < S+ 0 0 81 -3,-1.3 3,-0.1 1,-0.3 28,-0.0 -0.541 80.1 28.5 -63.1 122.3 17.3 -23.6 -0.6 49 174 A G T 3 S+ 0 0 79 1,-0.4 -1,-0.3 -2,-0.4 2,-0.3 0.439 99.5 112.4 97.3 0.9 14.5 -25.2 1.3 50 175 A D < - 0 0 73 -3,-2.5 -1,-0.4 1,-0.1 3,-0.1 -0.724 66.4-137.4 -99.2 157.9 15.3 -23.5 4.6 51 176 A E S S- 0 0 141 -2,-0.3 21,-2.3 1,-0.2 22,-0.6 0.706 82.4 -3.1 -84.0 -21.8 13.1 -20.9 6.2 52 177 A S E - D 0 71A 40 19,-0.2 2,-0.3 20,-0.2 19,-0.2 -0.979 57.8-149.0-159.6 165.4 16.0 -18.6 7.2 53 178 A T E - D 0 70A 0 17,-1.7 17,-3.2 -2,-0.3 2,-0.6 -0.990 15.7-134.9-141.8 149.2 19.7 -18.3 7.1 54 179 A T E - D 0 69A 27 -2,-0.3 -24,-3.7 15,-0.2 2,-0.4 -0.918 20.1-167.0-108.0 119.4 22.1 -16.5 9.5 55 180 A I E -BD 29 68A 0 13,-2.6 13,-2.2 -2,-0.6 2,-0.5 -0.882 13.6-142.8-105.9 134.6 24.8 -14.4 7.9 56 181 A T E -BD 28 67A 16 -28,-2.4 -29,-3.2 -2,-0.4 -28,-1.4 -0.840 30.2-179.6 -93.2 127.5 27.7 -13.1 9.9 57 182 A V E -BD 26 66A 0 9,-3.1 9,-2.1 -2,-0.5 -31,-0.2 -0.861 28.6-152.2-127.7 159.4 28.7 -9.6 8.7 58 183 A A E -B 25 0A 7 -33,-2.1 -33,-2.5 -2,-0.3 7,-0.2 -0.932 29.5-131.9-130.2 108.2 31.2 -6.9 9.5 59 184 A P > - 0 0 36 0, 0.0 3,-1.9 0, 0.0 -35,-0.1 -0.101 43.8 -71.5 -54.4 156.9 29.9 -3.4 8.7 60 185 A F T 3 S+ 0 0 156 -38,-0.3 -36,-0.1 1,-0.3 3,-0.1 -0.218 117.7 7.4 -52.7 132.4 32.1 -1.1 6.7 61 186 A G T 3 S+ 0 0 82 -38,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.442 110.3 100.0 78.9 0.1 35.1 0.2 8.6 62 187 A S < - 0 0 50 -3,-1.9 -1,-0.2 2,-0.1 0, 0.0 -0.885 57.0-158.7-120.4 150.6 34.6 -2.0 11.6 63 188 A D + 0 0 130 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.513 62.9 113.8 -96.5 -10.3 36.1 -5.3 12.6 64 189 A Q - 0 0 135 -5,-0.1 2,-0.3 1,-0.0 -2,-0.1 -0.501 55.7-153.6 -70.8 117.9 33.1 -6.1 14.9 65 190 A R + 0 0 117 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.638 18.0 171.6 -90.9 148.2 31.3 -9.1 13.5 66 191 A R E -D 57 0A 107 -9,-2.1 -9,-3.1 -2,-0.3 2,-0.3 -0.989 28.0-118.9-153.3 152.5 27.6 -9.7 14.1 67 192 A D E -D 56 0A 101 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.670 23.5-173.3 -90.5 144.9 24.9 -12.2 13.0 68 193 A V E -D 55 0A 18 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.4 -0.997 19.9-130.6-133.7 140.5 21.8 -11.2 11.1 69 194 A K E -D 54 0A 136 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.759 14.0-154.7 -90.5 133.5 18.9 -13.4 10.2 70 195 A L E -D 53 0A 1 -17,-3.2 -17,-1.7 -2,-0.4 2,-0.7 -0.929 14.3-135.6-103.3 131.1 17.5 -13.5 6.6 71 196 A D E +D 52 0A 39 -2,-0.5 3,-0.3 -57,-0.3 -19,-0.2 -0.770 25.8 175.1 -85.9 114.3 13.9 -14.5 6.2 72 197 A L > + 0 0 7 -21,-2.3 3,-1.7 -2,-0.7 -20,-0.2 0.238 45.1 111.4-103.3 11.8 13.8 -16.9 3.2 73 198 A R T 3 S+ 0 0 176 -22,-0.6 -1,-0.2 1,-0.3 -21,-0.1 0.831 92.7 28.0 -55.8 -34.7 10.1 -17.9 3.5 74 199 A H T 3 S+ 0 0 171 -3,-0.3 2,-0.3 -23,-0.1 -1,-0.3 0.069 91.8 134.1-116.4 22.9 9.4 -16.0 0.3 75 200 A W < + 0 0 35 -3,-1.7 2,-0.3 -24,-0.1 13,-0.1 -0.577 23.7 161.1 -79.6 131.0 12.8 -16.4 -1.4 76 201 A A + 0 0 86 -2,-0.3 2,-0.3 11,-0.2 -2,-0.0 -0.954 4.4 145.7-154.7 132.0 12.8 -17.5 -5.0 77 202 A F - 0 0 26 -2,-0.3 3,-0.1 5,-0.1 -2,-0.0 -0.975 53.7 -98.5-155.5 159.0 15.3 -17.4 -7.9 78 203 A E >> - 0 0 111 -2,-0.3 4,-2.9 1,-0.2 3,-1.7 -0.723 33.5-158.5 -83.0 99.9 16.2 -19.5 -10.9 79 204 A P T 34 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -34,-0.0 0.739 89.3 45.3 -53.2 -28.5 19.3 -21.4 -9.5 80 205 A D T 34 S+ 0 0 161 1,-0.1 -2,-0.1 -3,-0.1 3,-0.0 0.664 127.8 24.1 -90.9 -17.2 20.6 -22.1 -13.0 81 206 A K T <4 S+ 0 0 183 -3,-1.7 2,-0.3 1,-0.0 -1,-0.1 0.444 113.7 61.1-127.2 -5.0 20.1 -18.7 -14.5 82 207 A E S < S- 0 0 90 -4,-2.9 -5,-0.1 -5,-0.0 3,-0.1 -0.905 77.0-111.9-130.3 155.9 20.1 -16.2 -11.6 83 208 A D > - 0 0 39 -2,-0.3 4,-1.8 1,-0.2 3,-0.2 -0.763 17.6-149.5 -87.1 120.1 22.4 -15.0 -8.9 84 209 A P H > S+ 0 0 10 0, 0.0 4,-0.7 0, 0.0 6,-0.2 0.848 99.3 55.6 -53.9 -37.3 21.2 -16.1 -5.4 85 210 A V H >4>S+ 0 0 1 1,-0.2 5,-2.0 2,-0.2 3,-0.9 0.925 105.7 49.8 -64.6 -43.8 22.8 -13.0 -4.0 86 211 A S H >45S+ 0 0 68 1,-0.2 3,-1.7 -3,-0.2 -1,-0.2 0.869 104.3 59.1 -61.0 -38.1 20.9 -10.7 -6.3 87 212 A S H 3<5S+ 0 0 36 -4,-1.8 -73,-0.3 1,-0.3 -1,-0.2 0.713 101.6 55.5 -67.9 -18.5 17.6 -12.4 -5.4 88 213 A L T <<5S- 0 0 1 -3,-0.9 -73,-3.0 -4,-0.7 -72,-0.4 0.516 126.5-101.4 -86.9 -7.9 18.3 -11.4 -1.8 89 214 A G T < 5S+ 0 0 8 -3,-1.7 -79,-2.9 -4,-0.3 2,-0.5 0.507 80.7 131.0 100.4 8.0 18.6 -7.7 -2.8 90 215 A I E < -E 9 0B 4 -5,-2.0 -1,-0.3 -81,-0.2 -81,-0.2 -0.817 39.4-166.3-102.5 127.9 22.4 -7.6 -2.8 91 216 A R E -E 8 0B 142 -83,-2.6 -84,-2.8 -2,-0.5 -83,-1.8 -0.960 27.5-130.2-104.0 116.1 24.6 -6.2 -5.6 92 217 A P E -E 6 0B 28 0, 0.0 2,-0.2 0, 0.0 -86,-0.2 -0.300 45.6 -62.9 -60.3 145.9 28.2 -7.3 -5.0 93 218 A R 0 0 127 -88,-2.7 -88,-0.2 1,-0.3 -86,-0.1 -0.550 360.0 360.0 -69.2 138.1 30.9 -4.5 -5.1 94 219 A G 0 0 99 -2,-0.2 -1,-0.3 -3,-0.1 -88,-0.1 -0.611 360.0 360.0-127.4 360.0 31.5 -3.1 -7.4