==== 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 3ID4 . 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 . 93 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 62.4 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 . 29 31.2 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 . 2 2.2 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 9.7 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+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 1 0 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 . 3 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 1 221 A M 0 0 169 0, 0.0 2,-0.3 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0 146.0 -11.8 11.7 11.2 2 222 A I B -A 34 0A 59 32,-2.8 32,-0.5 25,-0.1 34,-0.1 -0.937 360.0-161.3-127.5 156.8 -8.6 13.0 9.7 3 223 A E - 0 0 89 -2,-0.3 24,-0.2 30,-0.1 32,-0.0 -0.701 21.4-150.6-137.0 82.8 -6.7 12.1 6.6 4 224 A P - 0 0 20 0, 0.0 22,-2.1 0, 0.0 2,-0.4 -0.267 8.5-138.9 -58.9 131.7 -3.1 13.4 7.0 5 225 A V B -B 25 0B 17 20,-0.2 82,-2.7 82,-0.2 2,-0.4 -0.758 15.6-125.1 -92.8 139.2 -1.3 14.4 3.7 6 226 A L E -F 86 0C 1 18,-2.5 17,-3.0 -2,-0.4 3,-0.1 -0.704 22.0-175.9 -86.7 132.1 2.4 13.4 3.3 7 227 A E E S+ 0 0 88 78,-2.9 2,-0.3 -2,-0.4 15,-0.1 0.755 71.4 3.5 -93.3 -31.9 4.8 16.2 2.5 8 228 A N E -F 85 0C 68 77,-1.8 77,-2.6 13,-0.1 2,-0.5 -0.982 50.7-158.0-156.3 142.4 7.9 14.0 2.0 9 229 A V E -F 84 0C 21 -2,-0.3 75,-0.2 75,-0.2 13,-0.1 -0.977 32.7-128.5-120.5 113.5 8.9 10.4 1.9 10 230 A Q > - 0 0 67 73,-2.6 3,-0.8 -2,-0.5 6,-0.5 -0.304 24.8-107.8 -64.7 140.3 12.6 9.9 2.6 11 231 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.289 101.0 19.2 -61.8 152.2 14.6 7.8 0.2 12 232 A N T 3 S+ 0 0 158 1,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.839 100.9 125.9 55.5 37.6 15.8 4.4 1.5 13 233 A S S <> S- 0 0 7 -3,-0.8 4,-2.3 70,-0.1 -1,-0.2 -0.684 78.6-105.0-116.4 172.3 13.2 4.4 4.2 14 234 A A H > S+ 0 0 7 67,-0.3 4,-1.7 -2,-0.2 54,-0.3 0.868 122.9 51.3 -61.3 -37.1 10.4 2.0 5.2 15 235 A A H 4>S+ 0 0 0 67,-2.2 5,-2.1 2,-0.2 4,-0.5 0.860 109.0 48.3 -70.6 -37.6 7.9 4.4 3.7 16 236 A S H >45S+ 0 0 45 -6,-0.5 3,-1.2 66,-0.3 -2,-0.2 0.924 111.8 50.3 -68.2 -41.0 9.8 4.6 0.4 17 237 A K H 3<5S+ 0 0 190 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.848 106.2 56.9 -62.9 -34.4 10.0 0.8 0.3 18 238 A A T 3<5S- 0 0 18 -4,-1.7 48,-0.3 -5,-0.2 -1,-0.3 0.615 118.1-114.0 -71.6 -13.8 6.2 0.7 1.0 19 239 A G T < 5 + 0 0 38 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.615 62.2 151.9 90.3 14.0 5.6 2.8 -2.1 20 240 A L < - 0 0 10 -5,-2.1 2,-0.3 4,-0.0 -1,-0.3 -0.429 21.5-170.9 -72.5 151.7 4.3 5.9 -0.4 21 241 A Q > - 0 0 102 -2,-0.1 3,-2.0 -13,-0.1 -15,-0.3 -0.961 33.2 -80.8-141.0 162.1 4.7 9.3 -2.0 22 242 A A T 3 S+ 0 0 57 -2,-0.3 -15,-0.2 1,-0.2 3,-0.1 -0.341 115.8 34.7 -56.6 137.5 4.3 13.0 -1.3 23 243 A G T 3 S+ 0 0 45 -17,-3.0 36,-0.3 1,-0.4 -1,-0.2 0.156 85.8 129.8 99.6 -18.3 0.7 14.0 -1.7 24 244 A D < - 0 0 2 -3,-2.0 -18,-2.5 34,-0.1 2,-0.5 -0.385 48.5-144.9 -66.3 147.1 -0.7 10.6 -0.4 25 245 A R E -BC 5 57B 116 32,-2.2 32,-2.4 -20,-0.2 2,-0.7 -0.974 7.6-138.2-114.9 127.8 -3.4 10.8 2.3 26 246 A I E + C 0 56B 0 -22,-2.1 30,-0.2 -2,-0.5 8,-0.2 -0.757 31.6 165.3 -84.4 116.7 -3.5 8.1 5.0 27 247 A V E + 0 0 10 28,-2.5 7,-0.4 -2,-0.7 2,-0.3 0.742 60.6 21.3-105.7 -31.1 -7.2 7.3 5.5 28 248 A K E - C 0 55B 69 27,-2.1 27,-2.4 5,-0.2 2,-0.4 -0.998 53.0-166.5-139.5 145.2 -7.0 4.0 7.4 29 249 A V E > S-DC 32 54B 1 3,-2.9 3,-1.0 -2,-0.3 25,-0.2 -0.979 84.5 -12.9-129.4 120.3 -4.5 2.3 9.6 30 250 A D T 3 S- 0 0 97 23,-3.1 24,-0.1 -2,-0.4 -1,-0.1 0.910 132.8 -49.5 53.8 44.8 -5.2 -1.4 10.5 31 251 A G T 3 S+ 0 0 63 22,-0.4 -1,-0.2 1,-0.1 23,-0.1 0.475 122.6 92.0 81.7 3.7 -8.8 -1.1 9.2 32 252 A Q B < S-D 29 0B 112 -3,-1.0 -3,-2.9 23,-0.0 -1,-0.1 -0.994 75.3-112.9-136.9 137.4 -9.7 2.1 11.1 33 253 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.248 33.4-115.1 -62.7 149.6 -9.5 5.8 10.2 34 254 A L B +A 2 0A 4 -32,-0.5 -32,-2.8 -7,-0.4 3,-0.1 -0.640 29.1 178.3 -81.1 144.1 -7.1 8.0 12.1 35 255 A T S S+ 0 0 86 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.497 73.7 31.4-118.0 -15.8 -8.6 10.8 14.3 36 256 A Q >> - 0 0 115 -34,-0.1 4,-0.8 1,-0.1 3,-0.7 -0.997 66.5-140.5-142.6 139.7 -5.3 12.1 15.6 37 257 A W H >> S+ 0 0 46 -2,-0.3 4,-2.0 1,-0.2 3,-0.5 0.866 103.0 65.3 -64.9 -35.1 -1.8 12.2 14.0 38 258 A V H 3> S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.799 93.7 61.3 -59.2 -29.0 -0.2 11.3 17.3 39 259 A T H <> S+ 0 0 47 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.919 105.5 45.6 -62.2 -45.3 -1.9 7.9 17.1 40 260 A F H < S+ 0 0 0 -4,-2.4 3,-1.3 2,-0.2 36,-0.3 0.960 115.6 48.3 -68.8 -49.9 5.0 3.5 14.3 45 265 A R H 3< S+ 0 0 93 -4,-2.7 35,-1.6 1,-0.3 -2,-0.2 0.855 113.9 46.3 -60.9 -36.9 7.2 4.2 17.3 46 266 A D T 3< S+ 0 0 71 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.524 109.6 55.8 -83.3 -5.7 5.9 1.2 19.3 47 267 A N X + 0 0 32 -3,-1.3 3,-1.8 -4,-0.5 -1,-0.2 -0.275 58.9 170.2-133.0 50.8 6.1 -1.4 16.4 48 268 A P T 3 S+ 0 0 42 0, 0.0 22,-0.2 0, 0.0 3,-0.1 -0.385 78.7 14.2 -59.2 134.1 9.5 -1.8 14.8 49 269 A G T 3 S+ 0 0 57 20,-2.7 2,-0.2 1,-0.3 21,-0.1 0.344 99.7 119.1 85.0 -7.6 9.4 -4.8 12.5 50 270 A K < - 0 0 110 -3,-1.8 2,-0.8 -6,-0.1 -1,-0.3 -0.596 67.8-115.8 -92.3 154.8 5.7 -5.2 12.5 51 271 A S - 0 0 78 -2,-0.2 2,-0.5 17,-0.2 17,-0.2 -0.805 27.5-164.1 -94.0 108.5 3.5 -4.9 9.3 52 272 A L E - E 0 67B 6 15,-3.2 15,-2.9 -2,-0.8 2,-0.7 -0.813 14.2-138.3 -92.2 125.9 1.1 -2.0 9.5 53 273 A A E - E 0 66B 51 -2,-0.5 -23,-3.1 13,-0.2 2,-0.4 -0.745 24.1-167.3 -87.7 116.5 -1.8 -2.1 7.0 54 274 A L E -CE 29 65B 3 11,-2.8 11,-2.4 -2,-0.7 2,-0.5 -0.836 18.3-163.3-105.9 139.9 -2.4 1.2 5.4 55 275 A E E +CE 28 64B 71 -27,-2.4 -28,-2.5 -2,-0.4 -27,-2.1 -0.992 25.2 177.2-108.1 126.1 -5.3 2.5 3.3 56 276 A I E -CE 26 63B 0 7,-2.9 7,-1.9 -2,-0.5 2,-0.5 -0.802 28.7-131.6-119.9 166.7 -4.4 5.6 1.5 57 277 A E E -CE 25 62B 48 -32,-2.4 -32,-2.2 -2,-0.3 2,-0.5 -0.990 20.4-170.7-114.2 129.0 -6.0 7.9 -1.0 58 278 A R E > S- E 0 61B 68 3,-3.2 3,-1.5 -2,-0.5 -34,-0.1 -0.953 76.6 -25.1-122.3 109.8 -3.9 8.8 -4.0 59 279 A Q T 3 S- 0 0 204 -2,-0.5 -1,-0.1 -36,-0.3 -35,-0.1 0.848 129.0 -50.2 52.5 34.8 -5.3 11.6 -6.2 60 280 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -35,-0.0 -3,-0.0 0.517 118.4 109.0 86.9 6.3 -8.7 10.5 -4.9 61 281 A S E < -E 58 0B 73 -3,-1.5 -3,-3.2 2,-0.0 -1,-0.2 -0.946 68.8-114.7-118.6 140.2 -8.3 6.8 -5.5 62 282 A P E +E 57 0B 95 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.395 33.3 174.5 -76.0 143.7 -7.9 4.1 -2.9 63 283 A L E -E 56 0B 71 -7,-1.9 -7,-2.9 -2,-0.1 2,-0.4 -0.990 20.7-141.8-145.6 143.3 -4.7 2.0 -2.5 64 284 A S E +E 55 0B 91 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.892 25.7 173.1-105.9 136.2 -3.6 -0.5 0.1 65 285 A L E -E 54 0B 30 -11,-2.4 -11,-2.8 -2,-0.4 2,-0.5 -0.926 28.6-130.1-137.8 162.5 0.0 -0.7 1.3 66 286 A T E -E 53 0B 84 -2,-0.3 2,-0.5 -48,-0.3 -13,-0.2 -0.973 21.8-166.8-116.0 122.3 2.1 -2.5 3.9 67 287 A L E -E 52 0B 0 -15,-2.9 -15,-3.2 -2,-0.5 -52,-0.1 -0.938 5.3-172.8-114.6 124.2 4.4 -0.4 6.1 68 288 A I - 0 0 77 -2,-0.5 -17,-0.2 -54,-0.3 -51,-0.1 -0.897 21.6-136.7-118.7 102.1 7.1 -2.0 8.2 69 289 A P - 0 0 2 0, 0.0 -20,-2.7 0, 0.0 2,-0.2 -0.258 17.1-127.0 -60.4 140.9 8.8 0.5 10.6 70 290 A E E -G 81 0D 70 11,-2.5 11,-1.6 -22,-0.2 2,-0.4 -0.613 25.7-109.5 -82.8 148.1 12.6 0.2 10.8 71 291 A S E +G 80 0D 76 -2,-0.2 9,-0.2 9,-0.2 -1,-0.1 -0.659 45.6 169.3 -80.8 128.2 14.2 -0.2 14.2 72 292 A K E -G 79 0D 94 7,-2.7 7,-2.7 -2,-0.4 2,-0.0 -0.946 42.4 -81.3-135.0 156.2 16.1 2.9 15.3 73 293 A P - 0 0 124 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.331 50.4-169.8 -58.7 135.1 17.7 4.1 18.6 74 294 A G - 0 0 30 3,-0.1 4,-0.1 1,-0.0 -3,-0.0 -0.727 35.3-105.5-120.0 174.1 15.2 5.6 21.0 75 295 A N S S+ 0 0 178 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.808 115.9 3.5 -71.2 -29.5 15.4 7.5 24.3 76 296 A G S S- 0 0 80 1,-0.4 2,-0.3 0, 0.0 -1,-0.2 0.495 137.2 -1.1-128.4 -13.1 14.3 4.6 26.5 77 297 A K S S- 0 0 120 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.960 90.1 -67.4-166.5 167.9 13.9 1.7 24.0 78 298 A A - 0 0 56 -2,-0.3 2,-0.3 -5,-0.2 -7,-0.1 -0.524 56.0-161.7 -68.4 138.4 14.3 0.9 20.3 79 299 A I E -G 72 0D 17 -7,-2.7 -7,-2.7 -2,-0.2 2,-0.2 -0.847 18.0-109.9-123.6 158.7 11.6 2.6 18.3 80 300 A G E -G 71 0D 1 -35,-1.6 2,-0.3 -36,-0.3 -9,-0.2 -0.609 32.2-174.3 -83.6 148.4 10.1 2.3 14.9 81 301 A F E +G 70 0D 52 -11,-1.6 -11,-2.5 -2,-0.2 -67,-0.3 -0.994 16.9 176.5-145.8 136.0 10.8 4.8 12.2 82 302 A V - 0 0 0 11,-2.0 -67,-2.2 -2,-0.3 -66,-0.3 0.549 44.4-117.6-120.1 -13.4 9.3 5.2 8.7 83 303 A G + 0 0 0 1,-0.2 -73,-2.6 -69,-0.1 2,-0.4 0.895 58.9 147.2 80.3 41.7 10.8 8.3 7.2 84 304 A I E -F 9 0C 0 -75,-0.2 9,-2.4 7,-0.0 -1,-0.2 -0.929 33.2-164.4-114.6 132.9 7.6 10.4 6.7 85 305 A E E -F 8 0C 63 -77,-2.6 -78,-2.9 -2,-0.4 -77,-1.8 -0.972 19.4-147.9-108.9 119.7 7.2 14.1 7.0 86 306 A P E -F 6 0C 6 0, 0.0 2,-0.4 0, 0.0 -80,-0.2 -0.455 26.4 -98.1 -81.3 158.8 3.6 15.2 7.2 87 307 A K S S+ 0 0 141 -82,-2.7 2,-0.3 -2,-0.1 -82,-0.2 -0.635 93.1 33.7 -72.1 129.9 2.2 18.4 5.8 88 308 A G S S- 0 0 54 -2,-0.4 -81,-0.0 1,-0.1 0, 0.0 -0.936 113.5 -42.9 126.7-149.2 2.0 20.9 8.7 89 309 A K S S+ 0 0 221 -2,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.251 90.3 115.8-110.4 11.4 4.1 21.6 11.8 90 310 A A - 0 0 45 1,-0.1 3,-0.1 -4,-0.1 -2,-0.1 -0.375 64.8-110.4 -80.9 160.6 4.7 18.1 13.0 91 311 A S - 0 0 90 1,-0.2 -1,-0.1 -2,-0.1 -7,-0.0 -0.404 44.2 -80.9 -84.4 162.7 8.1 16.4 13.3 92 312 A P 0 0 67 0, 0.0 -7,-0.2 0, 0.0 -1,-0.2 -0.256 360.0 360.0 -59.9 152.1 9.3 13.5 11.1 93 313 A V 0 0 9 -9,-2.4 -11,-2.0 -3,-0.1 -8,-0.1 0.426 360.0 360.0-131.7 360.0 8.1 10.0 12.0