==== 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 LYASE 19-JUN-07 2QCG . COMPND 2 MOLECULE: URIDINE 5'-MONOPHOSPHATE SYNTHASE (UMP SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WITTMANN,M.RUDOLPH . 516 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.0 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 . 2 0.4 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 . 29 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 4 2 0 0 0 2 3 2 1 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 8 4 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 2 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 1 222 A A 0 0 157 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.2 -20.0 -8.9 20.8 2 223 A M - 0 0 164 2,-0.0 2,-0.3 0, 0.0 255,-0.0 -0.601 360.0 -66.5 152.9 151.0 -20.6 -6.0 23.2 3 224 A E - 0 0 53 -2,-0.2 2,-0.3 253,-0.1 0, 0.0 -0.429 52.7-156.8 -64.8 119.2 -18.4 -4.0 25.6 4 225 A L - 0 0 72 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 -0.746 18.1-110.9 -98.1 145.1 -17.1 -6.2 28.4 5 226 A S > - 0 0 32 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.111 29.9-107.2 -65.8 170.4 -16.0 -4.9 31.7 6 227 A F H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.895 121.6 53.5 -64.5 -40.8 -12.3 -5.0 32.8 7 228 A G H 4 S+ 0 0 13 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.861 110.5 45.0 -63.5 -38.4 -13.2 -7.8 35.2 8 229 A A H >4 S+ 0 0 34 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.848 109.8 54.2 -74.5 -37.3 -14.8 -10.0 32.5 9 230 A R H >< S+ 0 0 7 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.843 98.7 65.6 -65.8 -29.4 -12.0 -9.3 30.0 10 231 A A T 3< S+ 0 0 2 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.706 104.3 45.2 -63.6 -20.7 -9.6 -10.6 32.7 11 232 A E T < S+ 0 0 161 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.383 80.4 132.9-105.0 1.6 -11.3 -14.1 32.4 12 233 A L X - 0 0 30 -3,-1.3 3,-2.1 -4,-0.3 -3,-0.0 -0.235 65.0-121.7 -55.1 138.6 -11.4 -14.3 28.6 13 234 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.875 112.0 43.5 -49.3 -45.0 -10.1 -17.7 27.3 14 235 A R T 3 S+ 0 0 161 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.176 86.9 130.0 -90.2 19.8 -7.4 -16.1 25.1 15 236 A I < - 0 0 31 -3,-2.1 176,-0.1 1,-0.1 175,-0.1 -0.477 58.1-124.5 -77.0 144.0 -6.3 -13.6 27.9 16 237 A H > - 0 0 24 174,-0.4 4,-2.7 -2,-0.2 3,-0.3 -0.706 19.8-120.7 -88.3 138.6 -2.6 -13.3 28.7 17 238 A P H > S+ 0 0 95 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.852 112.8 47.4 -44.1 -48.0 -1.6 -13.9 32.4 18 239 A V H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.923 113.6 47.5 -63.4 -43.6 -0.1 -10.4 32.7 19 240 A A H > S+ 0 0 0 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.850 111.7 51.2 -66.2 -35.1 -3.1 -8.7 31.1 20 241 A S H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.933 108.0 51.8 -68.4 -44.0 -5.5 -10.7 33.3 21 242 A K H X S+ 0 0 99 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.885 113.6 45.5 -57.9 -41.3 -3.6 -9.7 36.5 22 243 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.964 111.1 50.2 -66.0 -57.0 -3.8 -6.0 35.4 23 244 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.849 109.7 53.3 -51.8 -40.3 -7.5 -6.1 34.4 24 245 A R H X S+ 0 0 136 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.937 111.8 42.4 -63.5 -47.4 -8.4 -7.7 37.7 25 246 A L H X S+ 0 0 7 -4,-1.6 4,-2.8 2,-0.2 6,-0.2 0.806 110.1 59.0 -71.7 -27.2 -6.7 -5.1 39.9 26 247 A M H X>S+ 0 0 0 -4,-2.3 5,-1.7 2,-0.2 4,-0.9 0.951 111.6 40.1 -64.0 -49.2 -8.0 -2.3 37.7 27 248 A Q H <5S+ 0 0 80 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.883 116.1 51.5 -67.3 -38.0 -11.6 -3.3 38.4 28 249 A K H <5S+ 0 0 142 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.938 121.6 31.2 -62.9 -48.6 -10.8 -4.0 42.1 29 250 A K H <5S- 0 0 36 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.415 103.5-128.0 -91.0 -1.0 -9.2 -0.6 42.6 30 251 A E T <5 + 0 0 105 -4,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.915 66.7 125.4 51.0 49.0 -11.4 1.2 40.1 31 252 A T < + 0 0 0 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.995 36.2 170.1-140.3 131.1 -8.4 2.7 38.4 32 253 A N + 0 0 0 -2,-0.4 194,-2.0 214,-0.3 2,-0.5 -0.185 50.3 123.2-125.6 35.6 -7.3 2.6 34.7 33 254 A L E -a 226 0A 0 22,-0.3 24,-2.8 192,-0.2 25,-1.0 -0.888 44.3-164.2-105.1 126.1 -4.6 5.2 35.4 34 255 A C E -ab 227 58A 0 192,-3.1 194,-2.2 -2,-0.5 2,-0.4 -0.948 15.7-143.0-109.8 115.7 -0.9 4.5 34.6 35 256 A L E -ab 228 59A 0 23,-2.2 25,-3.4 -2,-0.6 2,-1.0 -0.644 4.2-145.0 -81.7 131.9 1.5 7.0 36.3 36 257 A S E - b 0 60A 6 192,-2.9 2,-1.6 -2,-0.4 197,-0.2 -0.826 13.3-163.9 -99.0 96.6 4.5 8.0 34.3 37 258 A A + 0 0 5 23,-1.8 2,-1.4 -2,-1.0 25,-0.5 -0.577 16.5 169.9 -83.1 79.0 7.3 8.4 36.9 38 259 A D + 0 0 40 -2,-1.6 2,-0.3 23,-0.1 -1,-0.1 -0.593 25.1 136.4 -94.7 77.1 9.9 10.3 34.9 39 260 A V - 0 0 12 -2,-1.4 23,-0.2 2,-0.1 26,-0.2 -0.802 54.2-139.5-121.1 161.3 12.3 11.2 37.7 40 261 A S S S+ 0 0 47 -2,-0.3 27,-2.6 26,-0.1 28,-0.5 0.536 81.5 66.0 -97.8 -8.7 16.1 11.2 38.1 41 262 A L >> - 0 0 81 25,-0.2 4,-2.3 1,-0.2 3,-0.6 -0.949 68.4-142.9-120.5 136.6 16.3 9.8 41.7 42 263 A A H 3> S+ 0 0 8 -2,-0.4 4,-3.6 1,-0.3 5,-0.3 0.961 104.7 54.3 -56.1 -55.4 15.4 6.4 43.0 43 264 A R H 3> S+ 0 0 147 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.764 109.8 50.5 -52.0 -26.1 14.1 7.7 46.3 44 265 A E H <> S+ 0 0 64 -3,-0.6 4,-2.4 2,-0.2 -1,-0.3 0.908 111.1 46.7 -77.8 -43.9 11.9 10.0 44.2 45 266 A L H X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.921 117.0 44.6 -61.5 -45.5 10.7 7.0 42.1 46 267 A L H X S+ 0 0 17 -4,-3.6 4,-1.6 2,-0.2 -1,-0.2 0.859 111.2 53.0 -69.2 -36.6 10.1 5.0 45.2 47 268 A Q H X S+ 0 0 120 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.934 112.7 44.0 -64.1 -46.5 8.4 7.9 47.1 48 269 A L H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.870 110.1 54.3 -66.6 -40.4 5.9 8.5 44.2 49 270 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.865 113.3 44.6 -62.2 -37.2 5.1 4.8 43.7 50 271 A D H < S+ 0 0 83 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.946 116.5 43.3 -73.4 -49.7 4.2 4.5 47.4 51 272 A A H < S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.902 127.2 29.6 -65.0 -42.3 2.2 7.7 47.6 52 273 A L H >X S+ 0 0 2 -4,-2.7 3,-2.0 -5,-0.2 4,-0.7 0.542 91.1 100.8 -97.3 -6.3 0.2 7.2 44.4 53 274 A G G >< S+ 0 0 0 -4,-0.9 3,-0.9 -5,-0.3 -1,-0.2 0.821 79.4 53.7 -47.2 -41.5 0.2 3.4 44.3 54 275 A P G 34 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.711 109.5 50.4 -69.1 -18.1 -3.3 3.1 45.6 55 276 A S G <4 S+ 0 0 6 -3,-2.0 2,-0.3 -4,-0.1 -22,-0.3 0.495 104.7 68.0 -97.7 -5.5 -4.6 5.4 42.8 56 277 A I << - 0 0 0 -3,-0.9 -22,-0.2 -4,-0.7 3,-0.1 -0.773 53.7-159.9-120.3 162.6 -2.9 3.6 39.9 57 278 A C S S+ 0 0 0 -24,-2.8 30,-1.7 1,-0.3 2,-0.3 0.436 86.5 12.4-110.1 -7.6 -3.1 0.4 38.0 58 279 A M E -bc 34 87A 0 -25,-1.0 -23,-2.2 28,-0.3 2,-0.5 -0.985 59.4-143.5-167.1 152.1 0.4 0.7 36.6 59 280 A L E -bc 35 88A 0 28,-2.4 30,-3.0 -2,-0.3 2,-0.4 -0.989 18.4-151.8-125.7 122.4 3.6 2.6 37.0 60 281 A K E -bc 36 89A 10 -25,-3.4 -23,-1.8 -2,-0.5 2,-0.3 -0.804 17.2-165.8 -97.2 135.4 5.6 3.4 33.8 61 282 A T E - c 0 90A 3 28,-2.9 30,-2.8 -2,-0.4 2,-0.2 -0.796 30.7-162.8-121.2 160.8 9.4 3.8 34.1 62 283 A H > + 0 0 7 -25,-0.5 3,-2.0 -2,-0.3 4,-0.3 -0.740 20.7 179.2-136.9 75.4 12.4 5.2 32.2 63 284 A V G > S+ 0 0 3 1,-0.3 3,-1.1 -2,-0.2 6,-0.2 0.738 73.0 67.2 -53.8 -27.4 15.0 3.4 34.2 64 285 A D G 3 S+ 0 0 7 1,-0.2 -1,-0.3 303,-0.1 305,-0.3 0.370 94.1 57.9 -79.4 5.6 17.8 4.9 32.0 65 286 A I G < S+ 0 0 10 -3,-2.0 302,-0.8 302,-0.2 2,-0.6 0.458 82.6 103.5-109.4 -7.7 17.0 8.4 33.3 66 287 A L X - 0 0 5 -3,-1.1 3,-0.9 -4,-0.3 302,-0.4 -0.659 57.3-160.6 -79.5 117.5 17.6 7.4 36.9 67 288 A N T 3 S+ 0 0 72 -27,-2.6 -26,-0.1 -2,-0.6 -1,-0.1 0.735 89.7 36.7 -71.2 -22.7 21.0 8.6 38.1 68 289 A D T 3 S+ 0 0 67 -28,-0.5 -1,-0.2 2,-0.1 5,-0.1 -0.136 80.5 157.2-123.1 38.0 21.2 6.1 41.0 69 290 A F < + 0 0 12 -3,-0.9 2,-0.3 -6,-0.2 -5,-0.0 -0.346 6.3 159.0 -64.6 143.3 19.6 3.0 39.5 70 291 A T >> - 0 0 69 40,-0.1 4,-1.1 -2,-0.0 3,-0.6 -0.937 52.6-111.7-155.9 160.2 20.5 -0.4 41.1 71 292 A L H 3> S+ 0 0 77 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.680 116.8 64.4 -72.9 -16.5 18.8 -3.7 41.0 72 293 A D H 3> S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.804 98.0 55.2 -74.4 -28.2 18.1 -3.3 44.7 73 294 A V H <> S+ 0 0 14 -3,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.888 107.0 49.2 -67.9 -41.0 15.9 -0.3 43.8 74 295 A M H X S+ 0 0 3 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.802 107.6 55.6 -68.3 -29.7 13.9 -2.4 41.5 75 296 A K H X S+ 0 0 114 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.938 110.5 44.4 -67.1 -46.5 13.5 -5.0 44.3 76 297 A E H X S+ 0 0 70 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.914 111.1 54.5 -62.3 -44.6 12.1 -2.3 46.5 77 298 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.854 106.1 51.8 -57.8 -40.2 9.8 -1.0 43.7 78 299 A I H X S+ 0 0 47 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.859 104.4 57.2 -66.5 -36.0 8.4 -4.5 43.2 79 300 A T H X S+ 0 0 72 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.897 109.6 45.4 -61.1 -40.7 7.6 -4.7 46.9 80 301 A L H X S+ 0 0 15 -4,-1.6 4,-3.1 2,-0.2 5,-0.4 0.870 111.3 52.7 -70.0 -36.8 5.5 -1.5 46.5 81 302 A A H X>S+ 0 0 9 -4,-2.0 5,-1.5 2,-0.2 4,-1.3 0.898 113.0 44.3 -65.0 -42.0 3.9 -2.9 43.3 82 303 A K H <5S+ 0 0 146 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.932 117.2 46.0 -67.6 -45.5 2.9 -6.0 45.2 83 304 A C H <5S+ 0 0 93 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.959 124.7 29.8 -60.9 -57.5 1.7 -4.0 48.3 84 305 A H H <5S- 0 0 34 -4,-3.1 -1,-0.2 -5,-0.1 -3,-0.2 0.651 109.6-124.3 -80.2 -15.8 -0.3 -1.4 46.4 85 306 A E T <5 + 0 0 74 -4,-1.3 2,-0.3 -5,-0.4 -3,-0.2 0.999 59.7 126.3 69.1 74.4 -1.1 -3.8 43.6 86 307 A F < - 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