==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-10 3NQX . COMPND 2 MOLECULE: SECRETED METALLOPROTEASE MCP02; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOALTEROMONAS SP.; . AUTHOR X.GAO,J.WANG,J.-W.WU,Y.-Z.ZHANG . 299 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 10.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 0 0 1 0 0 0 0 3 0 1 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 4 2 4 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 . 2 3 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 1 205 A A 0 0 59 0, 0.0 25,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.9 -5.7 -18.8 45.7 2 206 A N E +A 25 0A 103 23,-0.2 2,-0.3 16,-0.0 23,-0.2 -0.787 360.0 178.3-103.3 136.9 -8.5 -18.9 43.3 3 207 A A E -A 24 0A 0 21,-1.9 21,-2.9 -2,-0.4 2,-0.3 -0.920 10.0-154.1-130.2 161.4 -11.5 -16.6 43.1 4 208 A T B +b 61 0B 48 56,-2.6 58,-2.6 -2,-0.3 14,-0.2 -0.766 26.3 122.6-127.7 171.2 -14.5 -16.3 40.8 5 209 A G E -C 17 0C 1 12,-1.6 12,-3.4 -2,-0.3 14,-0.2 -0.800 53.1 -64.4 150.2 167.2 -17.0 -13.7 39.5 6 210 A P E +C 16 0C 9 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.277 43.3 173.7 -73.8 162.3 -18.4 -12.0 36.5 7 211 A G E +C 15 0C 0 8,-2.1 8,-1.9 68,-0.1 2,-0.1 -0.901 35.4 50.7-151.4-178.7 -16.6 -9.7 34.1 8 212 A G - 0 0 3 -2,-0.3 63,-2.2 64,-0.2 64,-0.5 -0.377 66.5-109.4 82.6-162.1 -17.2 -7.8 30.8 9 213 A N B > -E 70 0D 6 4,-0.4 4,-2.9 61,-0.3 61,-0.3 -0.881 42.2 -69.2-156.3-176.7 -20.1 -5.6 29.9 10 214 A L T 4 S+ 0 0 118 59,-1.9 4,-0.1 -2,-0.3 60,-0.1 0.838 129.4 46.1 -54.4 -36.8 -23.3 -5.3 27.8 11 215 A K T 4 S+ 0 0 63 179,-0.2 -1,-0.2 1,-0.2 180,-0.1 0.937 119.2 37.6 -72.6 -46.1 -21.2 -5.2 24.5 12 216 A T T 4 S- 0 0 50 178,-0.3 -2,-0.2 1,-0.1 -1,-0.2 0.825 113.8-124.5 -71.0 -30.6 -18.9 -8.0 25.4 13 217 A G < - 0 0 30 -4,-2.9 -4,-0.4 2,-0.1 -3,-0.1 0.116 38.4 -66.1 84.8 145.3 -21.7 -10.0 27.0 14 218 A K + 0 0 119 -6,-0.2 2,-0.3 -4,-0.1 -6,-0.2 -0.387 58.4 178.9 -60.3 137.9 -21.4 -11.2 30.6 15 219 A Y E -C 7 0C 35 -8,-1.9 -8,-2.1 -2,-0.1 2,-0.5 -0.932 19.9-127.5-135.1 167.0 -18.7 -13.8 31.2 16 220 A L E >>> -C 6 0C 63 -2,-0.3 4,-2.0 -10,-0.2 3,-1.7 -0.950 7.6-137.5-124.0 122.4 -17.6 -15.6 34.4 17 221 A Y E 345S+Cd 5 21C 4 -12,-3.4 -12,-1.6 -2,-0.5 6,-0.3 -0.611 101.3 31.2 -68.3 128.9 -14.1 -16.0 35.8 18 222 A G T 345S+ 0 0 41 3,-2.3 -1,-0.3 4,-0.4 5,-0.2 0.252 130.5 39.6 100.4 -9.7 -13.9 -19.6 36.9 19 223 A T T <45S+ 0 0 109 -3,-1.7 -2,-0.2 2,-0.5 -1,-0.1 0.521 126.1 20.9-131.5 -67.5 -16.3 -20.7 34.1 20 224 A D T <5S+ 0 0 98 -4,-2.0 2,-0.3 2,-0.1 -3,-0.2 0.803 136.8 16.3 -79.2 -32.0 -15.7 -19.0 30.8 21 225 A F B S-G 32 0E 98 3,-2.2 3,-2.4 -2,-0.4 2,-0.2 -0.993 75.3 -40.4-129.5 120.7 -6.4 -15.3 54.6 30 234 A G T 3 S- 0 0 70 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.463 124.2 -31.2 56.5-123.8 -9.2 -17.3 56.3 31 235 A N T 3 S+ 0 0 95 -2,-0.2 28,-2.9 -3,-0.1 2,-0.4 0.067 116.9 102.7-113.6 24.4 -12.2 -16.8 54.0 32 236 A T E < -GH 29 58E 65 -3,-2.4 -3,-2.2 26,-0.3 2,-0.3 -0.931 55.6-156.4-109.4 132.2 -11.2 -13.3 52.9 33 237 A a E -GH 28 57E 0 24,-3.4 24,-2.5 -2,-0.4 2,-0.4 -0.833 3.6-161.8-113.0 137.9 -9.6 -12.8 49.4 34 238 A S E -GH 27 56E 35 -7,-2.7 2,-2.4 -2,-0.3 -7,-2.3 -0.964 25.6-126.7-123.5 134.2 -7.4 -9.8 48.4 35 239 A M S S+ 0 0 0 20,-2.9 7,-2.4 -2,-0.4 2,-0.3 -0.491 75.7 108.3 -78.3 69.6 -6.6 -8.7 44.9 36 240 A N B +I 41 0F 41 -2,-2.4 5,-0.2 5,-0.2 2,-0.2 -0.936 33.2 154.8-149.8 118.5 -2.9 -8.8 45.5 37 241 A N - 0 0 18 3,-2.6 -10,-0.1 -2,-0.3 -11,-0.0 -0.734 60.9 -80.4-127.7-169.6 -0.4 -11.2 44.2 38 242 A A S S+ 0 0 88 -2,-0.2 3,-0.1 1,-0.2 62,-0.0 0.862 127.5 27.1 -61.7 -33.0 3.3 -11.0 43.6 39 243 A N S S+ 0 0 51 1,-0.2 62,-2.0 61,-0.1 2,-0.3 0.677 121.5 35.8-104.8 -23.2 2.9 -9.2 40.3 40 244 A V E - j 0 101F 0 60,-0.2 -3,-2.6 62,-0.0 2,-0.4 -1.000 47.4-174.1-142.8 139.5 -0.4 -7.3 40.5 41 245 A R E -Ij 36 102F 69 60,-2.6 62,-2.8 -2,-0.3 2,-0.4 -0.991 13.4-155.8-128.6 139.2 -2.6 -5.4 43.0 42 246 A T E - j 0 103F 0 -7,-2.4 13,-3.0 -2,-0.4 2,-0.4 -0.967 9.8-159.2-122.2 132.9 -6.0 -4.1 42.2 43 247 A I E - j 0 104F 4 60,-3.1 62,-2.7 -2,-0.4 2,-0.8 -0.926 13.6-142.5-121.3 131.0 -7.5 -1.2 44.0 44 248 A N E - j 0 105F 27 9,-0.5 7,-0.2 -2,-0.4 62,-0.2 -0.821 14.3-177.1 -91.1 108.9 -11.1 -0.1 44.5 45 249 A L > - 0 0 1 60,-2.5 3,-2.2 -2,-0.8 5,-0.3 0.588 25.9-145.3 -81.5 -11.4 -11.1 3.8 44.4 46 250 A N T 3 S- 0 0 102 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.881 70.5 -48.6 48.0 47.5 -14.9 3.8 45.1 47 251 A G T 3 S+ 0 0 36 59,-2.0 -1,-0.3 1,-0.2 60,-0.2 0.504 122.8 98.4 73.3 3.3 -15.6 6.9 43.0 48 252 A G S < S- 0 0 25 -3,-2.2 60,-2.9 58,-0.3 -1,-0.2 -0.236 85.6-114.6 -99.9-166.4 -12.7 8.8 44.6 49 253 A T S S+ 0 0 88 58,-0.2 -3,-0.1 -2,-0.1 58,-0.1 0.359 74.6 135.4-114.7 -10.8 -9.1 9.5 43.6 50 254 A S - 0 0 75 -5,-0.3 -5,-0.1 -4,-0.0 -4,-0.1 0.893 36.4 -17.9 42.7-157.2 -8.0 7.4 46.7 51 255 A G - 0 0 36 -7,-0.2 -8,-0.1 2,-0.1 -6,-0.0 0.404 31.2-124.5 -90.1-162.9 -5.6 4.8 47.7 52 256 A S + 0 0 65 2,-0.1 2,-0.3 -10,-0.1 -7,-0.0 0.114 65.4 123.7-129.1 15.6 -3.1 2.0 47.1 53 257 A S - 0 0 95 -9,-0.1 -9,-0.5 1,-0.1 -2,-0.1 -0.650 67.4-108.7 -84.0 133.8 -4.8 -0.7 49.3 54 258 A A - 0 0 18 -2,-0.3 -11,-0.2 -11,-0.2 -18,-0.1 -0.328 34.1-108.0 -65.1 135.6 -5.7 -4.0 47.7 55 259 A Y - 0 0 29 -13,-3.0 -20,-2.9 -20,-0.3 2,-0.3 -0.383 40.2-163.5 -60.9 131.7 -9.4 -4.7 47.1 56 260 A S E +H 34 0E 68 -22,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.933 15.6 163.2-123.9 150.5 -10.7 -7.3 49.5 57 261 A F E -H 33 0E 17 -24,-2.5 -24,-3.4 -2,-0.3 2,-0.3 -0.971 46.2 -83.3-153.8 162.3 -13.9 -9.5 49.5 58 262 A T E S-H 32 0E 94 -2,-0.3 3,-0.3 -26,-0.2 -26,-0.3 -0.603 71.2 -78.2 -75.0 130.3 -15.2 -12.6 51.1 59 263 A a S S+ 0 0 8 -28,-2.9 -56,-0.1 -2,-0.3 -1,-0.1 -0.246 93.9 15.1 -68.0 159.9 -14.1 -15.7 49.2 60 264 A P S S+ 0 0 81 0, 0.0 -56,-2.6 0, 0.0 2,-0.5 -0.997 112.7 39.8 -98.0 -3.8 -14.6 -17.3 46.8 61 265 A E B -b 4 0B 112 -3,-0.3 2,-0.5 -58,-0.2 -56,-0.2 -0.875 51.2-164.9-116.5 129.4 -16.7 -15.0 44.6 62 266 A N + 0 0 5 -58,-2.6 13,-0.1 -2,-0.5 -3,-0.0 -0.962 17.8 162.1-107.5 124.4 -16.5 -11.3 43.9 63 267 A T + 0 0 81 -2,-0.5 2,-0.5 -58,-0.2 3,-0.2 0.287 24.8 153.1-116.2 5.9 -19.6 -9.6 42.3 64 268 A F + 0 0 72 1,-0.2 11,-0.3 8,-0.1 10,-0.3 -0.700 49.9 9.0 -80.2 124.0 -18.8 -6.0 43.2 65 269 A K - 0 0 54 -2,-0.5 2,-0.4 7,-0.2 -1,-0.2 0.693 36.0-170.1-144.7 155.4 -20.0 -4.2 41.2 66 270 A E + 0 0 134 -3,-0.2 2,-0.3 6,-0.1 5,-0.2 -0.680 38.4 158.0 -73.4 127.8 -22.3 -3.6 38.2 67 271 A I B > -F 70 0D 46 3,-1.7 3,-2.3 -2,-0.4 5,-0.1 -0.926 57.3 -11.0-155.3 134.2 -21.7 -0.0 37.0 68 272 A N T 3 S- 0 0 46 -2,-0.3 3,-0.1 1,-0.3 59,-0.1 0.837 130.2 -44.4 46.4 46.4 -22.3 1.7 33.6 69 273 A G T 3 S+ 0 0 25 1,-0.3 -59,-1.9 62,-0.1 -1,-0.3 0.358 116.0 111.7 88.1 -8.1 -23.1 -1.5 31.7 70 274 A A B < -EF 9 67D 5 -3,-2.3 -3,-1.7 -61,-0.3 -1,-0.3 -0.671 57.4-149.7 -98.6 157.3 -20.2 -3.5 33.2 71 275 A Y S S- 0 0 40 -63,-2.2 -62,-0.1 -2,-0.2 -1,-0.1 0.798 82.4 -14.1 -98.5 -35.2 -20.4 -6.4 35.6 72 276 A S > - 0 0 0 -64,-0.5 4,-2.1 -67,-0.1 -64,-0.2 -0.427 50.5-178.4-168.5 88.7 -17.2 -6.1 37.6 73 277 A P H > S+ 0 0 2 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.847 90.0 59.7 -52.2 -35.0 -14.4 -3.7 36.4 74 278 A L H > S+ 0 0 0 -10,-0.3 4,-2.5 2,-0.2 5,-0.2 0.942 105.1 47.3 -58.2 -51.3 -12.4 -4.9 39.5 75 279 A N H > S+ 0 0 0 -11,-0.3 4,-2.4 1,-0.2 5,-0.2 0.941 115.3 45.8 -56.8 -52.0 -12.5 -8.6 38.4 76 280 A D H X S+ 0 0 6 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.909 111.3 52.2 -58.1 -43.5 -11.4 -7.6 34.8 77 281 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.939 112.3 44.8 -61.5 -46.3 -8.6 -5.3 36.0 78 282 A H H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.928 116.3 45.3 -67.0 -43.8 -7.1 -7.9 38.2 79 283 A F H X S+ 0 0 24 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.943 116.0 45.9 -60.7 -51.5 -7.3 -10.7 35.6 80 284 A F H X S+ 0 0 12 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.875 107.4 57.6 -64.0 -39.6 -6.0 -8.5 32.8 81 285 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.917 109.2 46.6 -55.5 -42.7 -3.1 -7.1 34.9 82 286 A N H X S+ 0 0 16 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.915 110.3 51.8 -66.0 -43.0 -2.0 -10.7 35.5 83 287 A V H X S+ 0 0 16 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.920 111.2 48.4 -58.6 -44.8 -2.3 -11.5 31.8 84 288 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 5,-0.2 0.916 110.4 50.3 -65.8 -44.7 -0.2 -8.4 30.8 85 289 A F H X S+ 0 0 16 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.945 112.6 48.2 -52.9 -48.6 2.5 -9.3 33.4 86 290 A N H X S+ 0 0 60 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.852 106.8 55.7 -69.5 -33.9 2.7 -12.8 32.0 87 291 A M H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.959 113.0 40.9 -57.9 -52.5 2.9 -11.7 28.4 88 292 A Y H X>S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 6,-0.9 0.929 117.9 48.3 -63.5 -42.2 5.9 -9.5 29.1 89 293 A N H X5S+ 0 0 66 -4,-2.6 4,-0.8 -5,-0.2 -2,-0.2 0.908 117.4 40.1 -67.0 -43.1 7.5 -12.1 31.3 90 294 A D H <5S+ 0 0 101 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.885 125.7 33.7 -72.0 -40.6 7.0 -15.0 28.9 91 295 A W H <5S+ 0 0 42 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.800 134.5 22.9 -90.4 -32.9 7.8 -13.2 25.7 92 296 A L H <5S- 0 0 34 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.531 95.8-125.4-113.0 -12.7 10.5 -10.8 26.9 93 297 A G S < - 0 0 3 -2,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.750 63.6-111.7-102.7 165.7 -10.6 -4.0 28.5 136 340 A L H > S+ 0 0 5 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.941 117.6 45.7 -58.6 -46.0 -7.6 -6.3 28.0 137 341 A D H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 113.8 45.8 -71.6 -36.7 -6.2 -4.0 25.3 138 342 A V H > S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.897 112.6 52.6 -72.4 -37.6 -6.6 -0.7 27.2 139 343 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.955 112.3 44.7 -57.3 -48.6 -5.2 -2.3 30.3 140 344 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.902 109.9 57.1 -61.9 -40.9 -2.1 -3.4 28.2 141 345 A H H X S+ 0 0 7 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.941 110.9 41.9 -54.6 -49.3 -2.0 0.1 26.6 142 346 A E H >X S+ 0 0 17 -4,-2.4 4,-1.0 1,-0.2 3,-0.7 0.929 113.7 50.6 -72.0 -43.8 -1.7 1.8 30.0 143 347 A V H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-1.0 0.925 106.8 58.1 -51.3 -45.2 0.8 -0.7 31.5 144 348 A S H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.716 92.8 64.2 -68.5 -20.5 2.9 -0.3 28.4 145 349 A H H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 3,-1.7 0.939 109.7 52.9 -60.1 -48.1 8.2 2.7 27.6 149 353 A E H 3<5S+ 0 0 102 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.883 113.4 44.9 -53.7 -39.7 8.9 5.2 30.4 150 354 A Q T 3<5S+ 0 0 63 -4,-2.1 -1,-0.3 -54,-0.2 -2,-0.2 0.371 125.3 29.1 -89.6 0.2 11.4 2.6 31.9 151 355 A N T < 5S+ 0 0 60 -3,-1.7 106,-0.1 -4,-0.4 -3,-0.1 0.289 134.4 2.0-122.9-108.4 13.0 1.7 28.7 152 356 A S T 5S- 0 0 13 104,-0.3 -3,-0.2 1,-0.1 3,-0.1 0.803 80.0-144.8 -54.2 -33.6 13.3 4.0 25.6 153 357 A G < - 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