==== 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 HYDROLASE 01-DEC-07 2JXY . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,V.CALDERONE,M.FRAGAI,R.JAISWAL,C.LUCHINAT, . 194 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 54.6 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 . 57 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 6 3.1 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 . 30 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 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 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 . 6 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 3 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 1 277 A M 0 0 127 0, 0.0 9,-0.2 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0-174.7 12.0 4.5 -12.4 2 278 A E - 0 0 131 7,-0.6 9,-0.2 1,-0.1 7,-0.2 -0.578 360.0-125.6 -90.4 153.8 13.8 1.3 -13.5 3 279 A P + 0 0 47 0, 0.0 7,-0.1 0, 0.0 4,-0.1 0.454 58.9 147.0 -75.0 -0.3 13.9 -1.9 -11.5 4 280 A A - 0 0 35 1,-0.2 3,-0.4 5,-0.1 5,-0.3 -0.139 26.3-176.8 -41.3 106.6 17.7 -1.7 -11.8 5 281 A L S S+ 0 0 22 1,-0.2 2,-1.6 3,-0.1 -1,-0.2 0.854 77.7 62.6 -78.2 -37.9 18.7 -3.2 -8.5 6 282 A a S S+ 0 0 94 2,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.321 102.5 62.0 -84.2 52.7 22.4 -2.6 -9.2 7 283 A D S S- 0 0 73 -2,-1.6 2,-1.5 -3,-0.4 -1,-0.1 -0.671 82.7-126.0-179.0 119.5 21.7 1.1 -9.2 8 284 A P S S+ 0 0 106 0, 0.0 -3,-0.1 0, 0.0 162,-0.1 -0.576 85.7 83.4 -75.0 91.4 20.4 3.5 -6.6 9 285 A N + 0 0 51 -2,-1.5 -7,-0.6 -5,-0.3 2,-0.3 0.095 55.1 128.4 177.7 42.5 17.5 5.1 -8.5 10 286 A L - 0 0 1 -9,-0.2 2,-0.3 -7,-0.1 178,-0.1 -0.825 28.8-178.5-112.2 151.4 14.5 2.8 -8.1 11 287 A S - 0 0 20 -2,-0.3 2,-0.2 -9,-0.2 159,-0.1 -0.959 10.9-147.4-145.3 160.1 11.0 3.6 -7.0 12 288 A F - 0 0 6 -2,-0.3 14,-0.1 1,-0.1 157,-0.1 -0.684 9.6-157.4-122.7 176.2 7.7 1.9 -6.4 13 289 A D S S- 0 0 53 12,-1.1 2,-0.3 1,-0.5 -1,-0.1 0.693 73.3 -9.0-118.3 -56.1 4.0 2.7 -6.7 14 290 A A E -A 25 0A 0 11,-0.6 11,-2.2 44,-0.1 -1,-0.5 -0.962 54.4-164.5-146.1 159.4 2.1 0.4 -4.4 15 291 A V E -A 24 0A 3 44,-0.5 141,-0.3 -2,-0.3 2,-0.2 -0.985 8.3-179.8-150.3 137.0 2.8 -2.7 -2.3 16 292 A T E -A 23 0A 1 7,-1.9 7,-1.5 -2,-0.3 2,-0.3 -0.702 16.8-132.9-127.6 179.0 0.6 -5.3 -0.7 17 293 A T E -A 22 0A 14 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.998 11.8-170.3-140.4 141.5 0.9 -8.4 1.4 18 294 A V E > -A 21 0A 44 3,-2.3 3,-3.1 -2,-0.3 2,-1.1 -0.990 63.2 -48.6-136.1 124.7 -0.6 -11.9 1.2 19 295 A G T 3 S- 0 0 67 -2,-0.4 47,-0.0 1,-0.3 44,-0.0 -0.344 125.4 -24.8 56.1 -93.2 -0.4 -14.6 3.9 20 296 A N T 3 S+ 0 0 111 -2,-1.1 2,-0.3 139,-0.0 -1,-0.3 -0.041 120.0 94.2-139.0 28.9 3.3 -14.4 4.5 21 297 A K E < -A 18 0A 79 -3,-3.1 -3,-2.3 13,-0.1 2,-0.5 -0.890 59.8-143.3-124.4 154.7 4.5 -13.0 1.1 22 298 A I E -A 17 0A 37 -2,-0.3 11,-0.7 -5,-0.2 2,-0.4 -0.979 13.9-166.1-123.0 121.7 5.2 -9.5 -0.1 23 299 A F E -AB 16 32A 42 -7,-1.5 -7,-1.9 -2,-0.5 2,-0.4 -0.903 4.6-155.7-110.5 134.5 4.3 -8.4 -3.6 24 300 A F E -AB 15 31A 24 7,-0.9 7,-3.3 -2,-0.4 2,-0.4 -0.911 7.7-144.1-111.9 134.7 5.6 -5.2 -5.2 25 301 A F E -AB 14 30A 4 -11,-2.2 -12,-1.1 -2,-0.4 -11,-0.6 -0.792 13.7-175.6 -99.1 138.1 3.8 -3.4 -8.0 26 302 A K E > - B 0 29A 15 3,-3.0 3,-3.2 -2,-0.4 2,-1.3 -0.830 58.2 -76.2-135.9 94.5 5.8 -1.6 -10.8 27 303 A D T 3 S- 0 0 88 -2,-0.4 28,-1.9 1,-0.3 29,-0.4 -0.335 117.5 -17.4 55.7 -91.1 3.6 0.3 -13.2 28 304 A R T 3 S+ 0 0 139 -2,-1.3 17,-2.6 26,-0.2 18,-0.3 0.536 130.8 75.0-116.3 -18.5 2.4 -2.8 -15.1 29 305 A F E < -BC 26 44A 92 -3,-3.2 -3,-3.0 15,-0.2 2,-0.3 -0.730 66.2-150.4-100.1 148.3 5.0 -5.3 -13.9 30 306 A F E -BC 25 43A 33 13,-3.1 13,-2.2 -2,-0.3 2,-0.3 -0.799 5.6-137.1-116.3 158.6 5.1 -6.8 -10.5 31 307 A W E -B 24 0A 10 -7,-3.3 -7,-0.9 -2,-0.3 2,-0.3 -0.710 11.9-166.3-110.5 162.9 8.0 -8.1 -8.3 32 308 A L E +B 23 0A 29 -2,-0.3 9,-0.5 9,-0.2 -9,-0.1 -0.880 28.3 132.6-154.9 116.9 8.3 -11.3 -6.3 33 309 A K + 0 0 29 -11,-0.7 2,-0.3 -2,-0.3 7,-0.1 -0.507 34.6 105.4-168.3 89.0 10.9 -12.1 -3.7 34 310 A V + 0 0 25 5,-0.1 2,-2.0 -2,-0.1 -13,-0.1 -0.967 67.7 14.2-160.5 167.3 9.8 -13.4 -0.3 35 311 A S S S+ 0 0 75 -2,-0.3 2,-0.2 -15,-0.2 -14,-0.1 -0.426 138.0 4.0 64.3 -85.5 9.7 -16.6 1.7 36 312 A E S S+ 0 0 162 -2,-2.0 -1,-0.2 2,-0.0 0, 0.0 -0.602 96.2 120.9-131.7 71.2 12.1 -18.6 -0.4 37 313 A R + 0 0 117 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.895 30.0 178.5-139.7 106.1 13.3 -16.2 -3.1 38 314 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.742 80.2 26.1 -75.1 -24.6 17.1 -15.5 -3.4 39 315 A K S S- 0 0 122 -5,-0.1 2,-0.2 -7,-0.1 -5,-0.1 -0.936 81.6-119.3-137.1 158.4 16.4 -13.2 -6.4 40 316 A T - 0 0 24 -2,-0.3 2,-0.4 -7,-0.1 -7,-0.2 -0.474 18.0-147.0 -94.0 167.3 13.4 -11.2 -7.7 41 317 A S - 0 0 70 -9,-0.5 2,-0.9 -2,-0.2 -9,-0.2 -0.984 5.7-145.4-141.0 126.0 11.5 -11.5 -10.9 42 318 A V + 0 0 68 -2,-0.4 2,-0.3 -11,-0.1 -11,-0.2 -0.812 35.4 160.4 -93.9 106.5 9.9 -8.8 -13.0 43 319 A N E -C 30 0A 77 -13,-2.2 -13,-3.1 -2,-0.9 2,-0.2 -0.772 42.2 -95.8-121.8 166.9 6.7 -10.2 -14.5 44 320 A L E -C 29 0A 70 -15,-0.3 4,-0.4 -2,-0.3 -15,-0.2 -0.591 21.8-144.6 -84.1 144.6 3.6 -8.6 -16.0 45 321 A I S >> S+ 0 0 2 -17,-2.6 3,-3.9 -2,-0.2 4,-0.8 0.995 100.5 51.2 -69.2 -66.8 0.5 -8.2 -13.8 46 322 A S T 34 S+ 0 0 59 -18,-0.3 -1,-0.2 1,-0.3 -17,-0.1 0.765 94.5 79.5 -41.3 -28.8 -2.1 -8.9 -16.4 47 323 A S T 34 S+ 0 0 69 1,-0.1 -1,-0.3 3,-0.0 -2,-0.2 0.855 118.7 4.1 -48.7 -39.4 -0.0 -12.0 -17.1 48 324 A L T <4 S+ 0 0 118 -3,-3.9 -2,-0.2 -4,-0.4 -3,-0.1 0.756 121.4 67.0-109.1 -74.0 -1.7 -13.4 -14.0 49 325 A W < - 0 0 55 -4,-0.8 3,-0.4 1,-0.1 -1,-0.2 -0.385 63.3-176.4 -56.9 112.2 -4.4 -11.1 -12.6 50 326 A P S S+ 0 0 65 0, 0.0 2,-3.5 0, 0.0 -1,-0.1 0.971 74.3 37.6 -75.0 -83.0 -7.0 -11.2 -15.4 51 327 A T S S+ 0 0 59 33,-0.1 -2,-0.1 36,-0.0 32,-0.0 -0.314 98.2 112.3 -70.1 61.7 -9.8 -8.8 -14.4 52 328 A L - 0 0 10 -2,-3.5 -6,-0.1 -3,-0.4 -4,-0.0 -0.993 60.7-134.3-141.4 130.4 -7.2 -6.4 -13.0 53 329 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 3,-0.2 -0.176 23.4-116.0 -75.0 172.1 -6.2 -2.9 -14.2 54 330 A S S S+ 0 0 34 1,-0.2 -26,-0.2 -9,-0.1 -27,-0.1 -0.839 85.7 42.8-113.0 150.2 -2.6 -1.7 -14.5 55 331 A G S S- 0 0 10 -28,-1.9 18,-0.3 -2,-0.3 -1,-0.2 0.867 75.9-154.9 85.5 42.5 -0.9 1.1 -12.6 56 332 A I - 0 0 3 -29,-0.4 16,-0.3 -3,-0.2 -29,-0.2 -0.178 8.5-160.2 -49.8 137.6 -2.2 0.3 -9.2 57 333 A E S S+ 0 0 40 14,-2.9 2,-0.4 1,-0.3 15,-0.1 0.909 73.1 1.5 -87.1 -52.1 -2.3 3.4 -7.0 58 334 A A - 0 0 0 13,-0.2 13,-1.5 -44,-0.1 2,-0.5 -0.986 63.1-163.8-143.8 129.0 -2.5 1.8 -3.6 59 335 A A E +D 70 0B 3 -2,-0.4 -44,-0.5 -44,-0.2 2,-0.3 -0.962 19.6 157.4-117.3 126.1 -2.5 -1.9 -2.7 60 336 A Y E -D 69 0B 25 9,-1.2 9,-0.5 -2,-0.5 -44,-0.1 -0.949 22.7-151.9-151.8 126.5 -3.6 -3.1 0.7 61 337 A E E -D 68 0B 33 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.318 14.7-130.2 -89.4 175.2 -4.9 -6.5 1.9 62 338 A I E >>> -D 67 0B 26 5,-1.2 2,-2.6 -2,-0.1 5,-0.9 -0.854 7.8-154.7-133.2 96.3 -7.2 -7.2 4.8 63 339 A E T 345S+ 0 0 171 -2,-0.4 5,-0.0 1,-0.2 -45,-0.0 -0.443 81.4 65.2 -70.8 75.8 -6.1 -9.9 7.2 64 340 A A T 345S+ 0 0 82 -2,-2.6 -1,-0.2 3,-0.1 0, 0.0 0.250 111.6 18.1-155.6 -58.3 -9.5 -10.8 8.3 65 341 A R T <45S- 0 0 207 -3,-0.8 -2,-0.1 2,-0.0 0, 0.0 0.248 105.2-110.3-109.2 8.0 -11.7 -12.2 5.5 66 342 A N T <5 + 0 0 116 -4,-0.9 15,-0.5 1,-0.2 2,-0.2 0.992 69.8 140.3 59.4 66.3 -8.7 -13.1 3.3 67 343 A Q E < -D 62 0B 49 -5,-0.9 -5,-1.2 13,-0.1 2,-0.3 -0.705 38.8-145.2-128.8 179.7 -9.4 -10.4 0.7 68 344 A V E -DE 61 79B 12 11,-1.3 11,-2.1 -2,-0.2 2,-0.4 -0.990 3.0-155.6-149.7 150.7 -7.4 -8.0 -1.5 69 345 A F E -DE 60 78B 38 -9,-0.5 -9,-1.2 -2,-0.3 2,-0.5 -0.997 3.0-167.4-134.2 133.3 -8.0 -4.5 -2.9 70 346 A L E -DE 59 77B 1 7,-0.9 7,-2.1 -2,-0.4 2,-0.4 -0.977 10.1-155.4-123.7 119.9 -6.5 -2.9 -5.9 71 347 A F E + E 0 76B 22 -13,-1.5 -14,-2.9 -2,-0.5 2,-0.3 -0.748 21.1 160.4 -96.1 140.2 -6.8 0.9 -6.5 72 348 A K E > - 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