==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-SEP-11 3TWD . COMPND 2 MOLECULE: BIFUNCTIONAL PROTEIN GLMU; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.LAHIRI,L.OTTERBEIN . 444 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 81.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 195 43.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0.5 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 . 50 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 29 13 0 0 0 0 0 2 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 1 232 A A > 0 0 105 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-162.5 52.3 -10.1 30.7 2 233 A S H > + 0 0 100 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.923 360.0 46.8 -49.1 -52.6 50.5 -13.0 28.9 3 234 A R H > S+ 0 0 216 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 111.3 50.9 -65.4 -41.6 48.5 -13.9 32.0 4 235 A L H > S+ 0 0 87 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 111.3 47.1 -62.5 -48.1 47.5 -10.3 32.8 5 236 A E H X S+ 0 0 117 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.869 109.3 55.9 -60.7 -35.8 46.2 -9.7 29.3 6 237 A R H X S+ 0 0 99 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.886 105.1 51.9 -64.0 -40.1 44.4 -13.0 29.5 7 238 A V H X S+ 0 0 85 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.906 106.0 54.2 -60.9 -41.9 42.6 -11.8 32.6 8 239 A Y H X S+ 0 0 107 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.860 105.9 53.7 -62.1 -31.6 41.6 -8.7 30.8 9 240 A Q H X S+ 0 0 20 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.904 105.8 52.2 -67.0 -40.6 40.0 -10.9 28.1 10 241 A S H X S+ 0 0 67 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.904 108.4 52.8 -60.4 -39.2 38.0 -12.7 30.7 11 242 A E H X S+ 0 0 87 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.909 109.2 46.8 -63.3 -44.7 36.8 -9.4 31.9 12 243 A Q H X S+ 0 0 55 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 111.7 51.2 -65.9 -43.4 35.6 -8.3 28.4 13 244 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.923 110.2 49.7 -57.6 -48.3 33.9 -11.7 27.9 14 245 A E H X S+ 0 0 97 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.925 111.1 49.1 -57.2 -45.3 32.1 -11.3 31.2 15 246 A K H X S+ 0 0 122 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.865 109.1 52.5 -63.5 -35.5 31.0 -7.8 30.3 16 247 A L H <>S+ 0 0 15 -4,-2.3 5,-2.4 2,-0.2 -2,-0.2 0.926 108.9 50.1 -66.0 -42.7 29.7 -9.0 26.9 17 248 A L H ><5S+ 0 0 56 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.939 110.5 49.3 -57.8 -50.8 27.6 -11.7 28.6 18 249 A L H 3<5S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.3 56.3 -59.1 -32.5 26.2 -9.1 31.0 19 250 A A T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.380 127.4 -98.1 -83.0 3.3 25.4 -6.9 28.0 20 251 A G T < 5S+ 0 0 49 -3,-1.8 20,-0.4 1,-0.3 2,-0.3 0.519 75.7 139.2 98.3 8.4 23.3 -9.7 26.4 21 252 A V < - 0 0 4 -5,-2.4 2,-0.9 -6,-0.1 -1,-0.3 -0.670 50.9-130.9 -80.5 137.7 25.8 -11.3 23.9 22 253 A M E -a 42 0A 69 19,-3.0 21,-3.5 -2,-0.3 2,-0.6 -0.823 26.9-177.2 -90.9 104.8 25.6 -15.1 23.8 23 254 A L E -a 43 0A 12 -2,-0.9 21,-0.2 19,-0.2 22,-0.1 -0.917 19.0-153.5 -98.2 120.1 29.2 -16.4 24.0 24 255 A R S S+ 0 0 161 19,-2.5 20,-0.1 -2,-0.6 -1,-0.1 0.852 89.3 10.0 -62.6 -35.5 29.3 -20.1 23.7 25 256 A D > - 0 0 43 18,-0.3 3,-1.9 3,-0.2 -1,-0.3 -0.809 61.7-167.1-144.6 104.3 32.5 -20.2 25.7 26 257 A P G > S+ 0 0 46 0, 0.0 3,-0.5 0, 0.0 -13,-0.2 0.710 93.2 60.1 -61.3 -20.0 33.7 -17.0 27.5 27 258 A A G 3 S+ 0 0 74 1,-0.2 2,-0.2 -14,-0.1 -17,-0.1 0.612 104.4 50.6 -79.0 -14.8 37.1 -18.8 28.0 28 259 A R G < S+ 0 0 112 -3,-1.9 18,-1.5 2,-0.0 19,-0.7 -0.501 91.8 95.3-122.5 61.6 37.5 -19.2 24.3 29 260 A F E < -b 47 0A 2 -3,-0.5 2,-0.4 17,-0.2 19,-0.2 -0.984 48.7-167.2-148.2 140.4 36.8 -15.6 23.1 30 261 A D E -b 48 0A 17 17,-2.1 19,-2.7 -2,-0.3 2,-0.4 -0.998 6.9-176.0-135.4 134.5 39.2 -12.7 22.4 31 262 A L E +b 49 0A 11 -2,-0.4 2,-0.5 17,-0.2 19,-0.2 -0.987 3.9 176.5-129.2 118.1 38.5 -9.0 21.9 32 263 A R E S-b 50 0A 128 17,-3.4 19,-2.3 -2,-0.4 2,-0.4 -0.739 71.6 -1.7-122.8 73.2 41.5 -6.9 20.9 33 264 A G E S-b 51 0A 34 -2,-0.5 2,-0.4 17,-0.2 19,-0.2 -0.997 109.0 -33.5 143.9-137.2 39.9 -3.5 20.4 34 265 A T E -b 52 0A 40 17,-2.4 19,-2.8 -2,-0.4 2,-0.5 -0.946 41.9-163.5-131.0 140.4 36.3 -2.5 20.7 35 266 A L E -b 53 0A 22 -2,-0.4 2,-0.4 17,-0.2 19,-0.2 -0.985 3.2-173.7-125.2 120.2 33.1 -4.3 19.9 36 267 A T E +b 54 0A 50 17,-2.5 19,-2.5 -2,-0.5 2,-0.3 -0.910 19.1 175.3-105.6 142.7 29.6 -2.6 19.5 37 268 A H E -b 55 0A 50 -2,-0.4 19,-0.2 17,-0.2 20,-0.1 -0.982 25.6-138.2-145.8 152.0 26.7 -5.0 19.1 38 269 A G - 0 0 17 18,-1.2 3,-0.4 17,-0.7 2,-0.2 0.006 52.0 -58.9 -83.1-151.6 22.9 -5.1 18.8 39 270 A R S S+ 0 0 145 1,-0.2 19,-3.1 -18,-0.1 20,-0.3 -0.531 109.8 19.3 -95.7 155.0 20.6 -7.6 20.5 40 271 A D S S+ 0 0 102 -20,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.807 76.4 164.7 58.9 33.3 20.5 -11.4 20.3 41 272 A V - 0 0 1 -3,-0.4 -19,-3.0 -21,-0.3 2,-0.5 -0.680 20.8-158.7 -82.2 134.6 24.1 -11.7 18.9 42 273 A E E -ac 22 60A 74 17,-2.5 19,-2.9 -2,-0.3 2,-0.5 -0.981 9.6-175.4-120.4 124.1 25.5 -15.2 19.1 43 274 A I E -ac 23 61A 0 -21,-3.5 -19,-2.5 -2,-0.5 -18,-0.3 -0.982 11.6-153.6-124.6 121.0 29.3 -15.8 19.1 44 275 A D > - 0 0 54 17,-2.9 3,-0.7 -2,-0.5 -19,-0.2 -0.071 39.6 -53.3 -83.0-171.7 30.6 -19.4 19.0 45 276 A T T 3 S+ 0 0 20 1,-0.2 19,-2.4 -21,-0.1 20,-0.3 -0.175 111.7 14.2 -65.2 151.2 34.0 -20.7 20.3 46 277 A N T 3 S+ 0 0 71 -18,-1.5 2,-0.3 -21,-0.3 -1,-0.2 0.716 79.5 155.2 61.3 28.9 37.5 -19.4 19.4 47 278 A V E < -b 29 0A 0 -19,-0.7 -17,-2.1 -3,-0.7 2,-0.5 -0.663 26.9-158.7 -84.4 139.3 36.3 -16.1 17.8 48 279 A I E -bd 30 66A 37 17,-2.5 19,-2.6 -2,-0.3 2,-0.5 -0.986 3.8-165.2-123.7 123.6 38.8 -13.2 17.7 49 280 A I E -bd 31 67A 0 -19,-2.7 -17,-3.4 -2,-0.5 2,-0.3 -0.948 14.7-175.6-107.4 127.1 37.5 -9.7 17.3 50 281 A E E -bd 32 68A 50 17,-2.3 19,-2.1 -2,-0.5 20,-0.2 -0.915 44.7 -10.0-127.8 148.3 40.3 -7.1 16.4 51 282 A G E S-b 33 0A 20 -19,-2.3 -17,-2.4 -2,-0.3 2,-0.6 -0.380 115.0 -21.7 66.9-142.9 40.3 -3.4 16.0 52 283 A N E S+b 34 0A 0 -19,-0.2 2,-0.4 -2,-0.1 -17,-0.2 -0.916 72.9 174.4-109.9 113.4 37.0 -1.6 16.0 53 284 A V E -b 35 0A 0 -19,-2.8 -17,-2.5 -2,-0.6 2,-0.4 -0.937 14.9-167.2-124.9 138.2 34.0 -3.8 15.1 54 285 A T E -be 36 71A 28 16,-2.1 18,-3.0 -2,-0.4 2,-0.4 -0.994 5.2-170.0-127.7 133.5 30.3 -3.2 15.0 55 286 A L E -be 37 72A 4 -19,-2.5 -17,-0.7 -2,-0.4 18,-0.2 -0.963 12.3-141.7-120.8 137.6 27.6 -5.9 14.7 56 287 A G > - 0 0 14 16,-2.5 -18,-1.2 -2,-0.4 3,-0.7 0.128 46.6 -54.3 -76.5-161.9 23.9 -5.4 14.2 57 288 A H T 3 S+ 0 0 53 1,-0.2 18,-3.0 -20,-0.1 19,-0.2 -0.558 115.9 7.8 -79.4 145.9 21.1 -7.4 15.7 58 289 A R T 3 S+ 0 0 76 -19,-3.1 2,-0.3 -2,-0.2 -1,-0.2 0.690 80.5 162.5 62.0 21.5 20.8 -11.2 15.5 59 290 A V < - 0 0 0 -3,-0.7 -17,-2.5 -20,-0.3 2,-0.5 -0.569 23.4-156.3 -70.6 133.8 24.3 -11.6 14.0 60 291 A K E -cf 42 77A 66 16,-2.2 18,-3.1 -2,-0.3 2,-0.5 -0.977 7.5-168.9-117.3 126.5 25.6 -15.2 14.3 61 292 A I E -cf 43 78A 5 -19,-2.9 -17,-2.9 -2,-0.5 18,-0.2 -0.971 13.6-147.2-120.7 115.9 29.3 -15.9 14.3 62 293 A G > - 0 0 13 16,-3.2 3,-1.2 -2,-0.5 20,-0.2 -0.073 39.3 -56.5 -80.3 177.4 30.4 -19.5 13.9 63 294 A T T 3 S+ 0 0 25 1,-0.2 18,-2.5 17,-0.1 -17,-0.2 -0.151 113.2 8.8 -62.3 142.2 33.5 -21.1 15.4 64 295 A G T 3 S+ 0 0 15 -19,-2.4 -1,-0.2 16,-0.2 -17,-0.1 0.487 82.3 152.9 78.1 6.0 37.0 -19.9 14.7 65 296 A C < - 0 0 0 -3,-1.2 -17,-2.5 -20,-0.3 2,-0.5 -0.382 31.6-154.9 -73.5 148.4 36.2 -16.6 12.9 66 297 A V E -dg 48 83A 34 16,-2.0 18,-3.3 -19,-0.2 2,-0.5 -0.988 13.7-177.9-123.5 117.6 38.5 -13.6 12.9 67 298 A I E +dg 49 84A 0 -19,-2.6 -17,-2.3 -2,-0.5 2,-0.4 -0.963 3.0 179.3-127.1 115.2 36.8 -10.2 12.4 68 299 A K E -dg 50 85A 70 16,-3.1 18,-2.5 -2,-0.5 19,-0.4 -0.960 62.5 -21.4-123.3 127.8 38.9 -7.1 12.2 69 300 A N S S+ 0 0 16 -19,-2.1 2,-0.3 -2,-0.4 -16,-0.2 0.817 96.9 139.2 48.6 47.3 37.7 -3.5 11.7 70 301 A S - 0 0 0 -20,-0.2 -16,-2.1 16,-0.2 2,-0.5 -0.803 51.9-137.9-129.8 158.1 34.5 -4.5 10.1 71 302 A V E -eh 54 88A 13 16,-2.2 18,-2.9 -2,-0.3 2,-0.5 -0.980 20.2-168.8-119.1 118.4 30.8 -3.5 10.0 72 303 A I E -eh 55 89A 3 -18,-3.0 -16,-2.5 -2,-0.5 18,-0.2 -0.937 13.8-140.1-119.0 115.5 28.3 -6.4 10.1 73 304 A G > - 0 0 17 16,-2.1 3,-1.4 -2,-0.5 -17,-0.2 -0.054 38.2 -66.1 -70.5 170.4 24.6 -5.7 9.4 74 305 A D T 3 S+ 0 0 58 1,-0.2 18,-2.4 17,-0.1 19,-0.2 -0.182 115.5 11.5 -54.4 145.0 21.6 -7.2 11.1 75 306 A D T 3 S+ 0 0 65 -18,-3.0 -1,-0.2 1,-0.2 -17,-0.1 0.539 84.8 154.4 67.8 10.6 20.9 -10.9 10.6 76 307 A C < - 0 0 0 -3,-1.4 -16,-2.2 -19,-0.2 2,-0.5 -0.435 31.3-152.4 -68.8 144.5 24.2 -11.7 9.1 77 308 A E E -fi 60 94A 94 16,-2.4 18,-2.1 -18,-0.2 2,-0.7 -0.978 7.7-169.0-121.7 115.2 25.5 -15.3 9.5 78 309 A I E -fi 61 95A 4 -18,-3.1 -16,-3.2 -2,-0.5 18,-0.2 -0.922 17.8-147.9-106.7 110.4 29.2 -15.8 9.4 79 310 A S - 0 0 43 16,-3.3 3,-0.3 -2,-0.7 20,-0.2 -0.218 36.9 -59.4 -78.6 167.0 30.0 -19.5 9.1 80 311 A P S S+ 0 0 47 0, 0.0 18,-1.7 0, 0.0 19,-0.3 0.001 112.4 12.2 -51.5 148.4 33.0 -21.3 10.7 81 312 A Y S S+ 0 0 126 -18,-2.5 2,-0.4 16,-0.2 17,-0.3 0.894 83.5 148.9 53.7 52.4 36.7 -20.4 9.9 82 313 A T - 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