==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (METALLOPROTEASE) 02-SEP-94 1TRL . COMPND 2 MOLECULE: THERMOLYSIN FRAGMENT 255 - 316; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR M.RICO,M.A.JIMENEZ,C.GONZALEZ,V.DE FILIPPIS,A.FONTANA . 124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 82.3 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 . 2 1.6 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 . 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.0 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 1 1 1 0 0 2 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 . 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 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 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 1 255 A V 0 0 137 0, 0.0 2,-1.9 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0 85.3 16.8 -0.2 5.7 2 256 A V > + 0 0 54 1,-0.2 3,-1.5 49,-0.1 2,-0.1 -0.466 360.0 178.9 -77.8 72.8 13.4 1.3 5.2 3 257 A G T 3 + 0 0 51 -2,-1.9 -1,-0.2 1,-0.3 45,-0.1 0.248 62.9 59.6 -72.6 6.8 15.0 4.8 5.0 4 258 A I T 3 S- 0 0 26 43,-0.2 4,-0.3 44,-0.1 -1,-0.3 0.623 104.5-112.8-102.3 -24.7 11.8 7.0 4.4 5 259 A G X> - 0 0 38 -3,-1.5 3,-2.1 2,-0.1 4,-0.7 0.432 29.0 -93.0 84.9 123.6 9.8 6.1 7.5 6 260 A R T 34 S+ 0 0 83 1,-0.3 4,-0.5 2,-0.2 71,-0.2 0.688 121.0 70.2 -29.3 -33.3 6.5 4.2 7.2 7 261 A D T >4 S+ 0 0 41 66,-0.2 3,-1.0 1,-0.2 66,-0.5 0.890 95.2 52.9 -62.2 -37.8 4.6 7.5 7.0 8 262 A K T X> S+ 0 0 66 -3,-2.1 3,-1.1 -4,-0.3 4,-0.8 0.871 92.0 75.8 -65.1 -29.7 6.0 8.2 3.5 9 263 A L H 3X S+ 0 0 2 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.731 84.2 66.6 -55.0 -24.4 4.7 4.7 2.3 10 264 A G H <> S+ 0 0 0 -3,-1.0 4,-2.0 60,-0.8 60,-0.3 0.880 92.5 56.6 -65.4 -47.0 1.1 6.1 2.2 11 265 A K H <> S+ 0 0 62 -3,-1.1 4,-1.5 -4,-0.4 -1,-0.2 0.942 109.4 49.0 -46.2 -51.6 1.7 8.5 -0.7 12 266 A I H X S+ 0 0 0 -4,-0.8 4,-3.1 1,-0.2 3,-0.2 0.933 109.5 48.8 -55.1 -58.8 2.9 5.6 -2.8 13 267 A F H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.780 105.7 55.2 -68.6 -30.7 0.0 3.2 -2.1 14 268 A Y H X S+ 0 0 28 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.970 116.2 39.3 -56.7 -54.5 -2.8 5.6 -2.8 15 269 A R H X>S+ 0 0 64 -4,-1.5 4,-2.6 -3,-0.2 5,-1.3 0.960 113.3 56.9 -61.8 -48.2 -1.3 6.3 -6.3 16 270 A A H X>S+ 0 0 0 -4,-3.1 4,-0.9 3,-0.2 5,-0.6 0.894 115.8 35.5 -48.5 -53.3 -0.4 2.6 -6.7 17 271 A L H X5S+ 0 0 0 -4,-2.8 4,-1.5 3,-0.2 106,-0.4 0.991 124.4 36.3 -64.4 -61.6 -4.0 1.5 -6.2 18 272 A T H <5S+ 0 0 9 -4,-2.2 105,-1.0 -5,-0.2 -3,-0.2 0.724 132.5 20.5 -75.7 -28.5 -6.1 4.2 -7.8 19 273 A Q H <5S+ 0 0 68 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.684 132.6 30.9-112.5 -26.8 -3.9 5.1 -10.8 20 274 A Y H < - 0 0 54 -2,-0.2 3,-0.8 1,-0.1 101,-0.1 -0.857 22.7-122.1-103.6 152.0 -6.2 -3.2 -11.9 23 277 A P T 3 S+ 0 0 77 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 0.962 116.8 53.4 -48.2 -49.7 -9.4 -4.7 -10.6 24 278 A T T 3 S+ 0 0 124 66,-0.1 2,-0.0 -3,-0.1 0, 0.0 -0.237 92.9 162.1 -87.5 51.6 -8.0 -8.1 -11.5 25 279 A S < - 0 0 10 -2,-1.5 65,-2.3 -3,-0.8 2,-0.3 -0.175 23.4-172.8 -82.4 162.7 -4.8 -7.5 -9.5 26 280 A N B > -A 89 0A 62 63,-0.3 4,-2.4 64,-0.1 63,-0.3 -0.932 42.5 -94.8-146.5 165.3 -2.0 -9.6 -8.1 27 281 A F H > S+ 0 0 15 61,-2.9 4,-2.2 -2,-0.3 62,-0.1 0.910 123.4 49.1 -51.6 -54.5 1.1 -9.3 -5.9 28 282 A S H > S+ 0 0 79 60,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.889 109.7 52.4 -53.7 -43.1 3.5 -8.9 -8.9 29 283 A Q H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.946 110.4 48.6 -57.2 -46.7 1.2 -6.2 -10.4 30 284 A L H X S+ 0 0 8 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.828 103.2 61.5 -62.0 -40.0 1.3 -4.3 -7.0 31 285 A R H X S+ 0 0 78 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.974 111.0 39.4 -49.1 -55.4 5.1 -4.5 -6.8 32 286 A A H X S+ 0 0 43 -4,-1.6 4,-3.4 1,-0.2 5,-0.3 0.923 113.8 54.3 -62.2 -50.0 5.4 -2.5 -10.0 33 287 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.894 114.2 40.8 -51.8 -49.0 2.5 -0.1 -9.1 34 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.928 116.1 49.0 -70.0 -44.6 4.2 0.8 -5.8 35 289 A V H X S+ 0 0 21 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.953 114.6 46.6 -56.7 -49.8 7.7 1.0 -7.2 36 290 A Q H X S+ 0 0 83 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.881 109.8 52.8 -63.0 -42.7 6.4 3.2 -10.1 37 291 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.3 -2,-0.2 0.982 110.8 47.7 -52.8 -53.1 4.5 5.4 -7.6 38 292 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.817 110.2 52.9 -60.0 -35.8 7.7 5.9 -5.6 39 293 A T H X S+ 0 0 44 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.962 111.2 45.1 -61.3 -57.5 9.7 6.7 -8.8 40 294 A D H < S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.914 120.5 42.2 -50.9 -45.8 7.1 9.4 -9.9 41 295 A L H < S+ 0 0 63 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.906 134.1 8.6 -70.7 -48.3 7.1 10.8 -6.3 42 296 A Y H < S- 0 0 95 -4,-2.8 6,-0.2 1,-0.4 -2,-0.2 0.063 108.8 -89.6-131.3 20.1 10.8 10.8 -5.2 43 297 A G < - 0 0 40 -4,-1.8 -1,-0.4 -5,-0.1 3,-0.3 -0.000 42.3 -87.8 82.7 164.4 13.0 9.9 -8.3 44 298 A S S S+ 0 0 78 1,-0.2 2,-1.7 -4,-0.1 -1,-0.1 0.934 119.6 47.8 -75.9 -53.3 14.1 6.4 -9.5 45 299 A T S S+ 0 0 149 4,-0.1 2,-0.3 -6,-0.1 -1,-0.2 -0.543 95.1 140.4 -87.9 65.2 17.3 5.6 -7.6 46 300 A S > - 0 0 21 -2,-1.7 4,-2.3 -3,-0.3 5,-0.1 -0.854 68.7-129.9-117.5 144.9 15.5 6.7 -4.5 47 301 A Q H > S+ 0 0 75 -2,-0.3 4,-3.2 2,-0.2 -43,-0.2 0.870 111.9 62.2 -59.2 -29.3 15.3 5.4 -0.9 48 302 A E H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.944 106.9 42.2 -63.4 -42.2 11.5 5.5 -1.4 49 303 A V H > S+ 0 0 7 -6,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.907 114.0 53.5 -68.2 -43.7 11.8 2.9 -4.2 50 304 A A H X S+ 0 0 30 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.904 110.7 45.7 -54.1 -50.5 14.3 1.0 -2.1 51 305 A S H X S+ 0 0 2 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.846 113.2 49.8 -65.0 -42.5 11.9 0.9 0.9 52 306 A V H >X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 3,-0.5 0.988 112.5 46.6 -56.6 -58.7 8.9 -0.1 -1.3 53 307 A K H 3X S+ 0 0 103 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.918 108.8 56.1 -50.2 -52.4 10.9 -3.0 -2.9 54 308 A Q H 3X S+ 0 0 63 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.821 103.3 54.7 -46.9 -44.9 12.2 -4.2 0.5 55 309 A A H X S+ 0 0 57 -4,-2.5 4,-2.2 -3,-0.4 3,-1.1 0.932 113.5 47.8 -60.5 -48.0 10.4 -9.6 2.8 59 313 A V H 3< S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.964 107.1 57.3 -56.9 -46.8 6.8 -10.8 2.1 60 314 A G T 3< S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.531 115.7 34.9 -67.4 -12.5 8.0 -12.9 -0.9 61 315 A V T <4 0 0 122 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.821 360.0 360.0-107.2 -52.7 10.5 -14.9 1.3 62 316 A K < 0 0 162 -4,-2.2 -2,-0.0 -5,-0.1 23,-0.0 -0.179 360.0 360.0 57.5 360.0 8.9 -15.4 4.8 63 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 255 B V 0 0 120 0, 0.0 2,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.2 -9.5 12.2 -0.4 65 256 B V + 0 0 47 1,-0.3 -47,-0.1 52,-0.1 3,-0.1 -0.388 360.0 24.8 -92.7 63.9 -9.6 8.5 -1.4 66 257 B G S > S- 0 0 0 -2,-1.8 3,-0.8 51,-0.1 2,-0.4 0.262 110.7 -96.0 133.4 77.0 -7.3 7.4 1.5 67 258 B I T 3 S- 0 0 45 -3,-0.3 3,-0.1 43,-0.2 -1,-0.0 0.025 97.7 -22.1 34.0 -81.1 -7.4 9.8 4.5 68 259 B G T > S- 0 0 29 -2,-0.4 3,-2.2 1,-0.2 -1,-0.2 -0.523 82.6-118.2-158.8 72.8 -4.4 12.1 3.9 69 260 B R G X S+ 0 0 74 -3,-0.8 3,-2.4 1,-0.3 4,-0.3 0.170 107.4 47.8 23.4 -79.0 -2.0 10.0 1.6 70 261 B D G > S+ 0 0 48 1,-0.3 3,-2.7 -60,-0.3 -60,-0.8 0.854 102.5 66.0 -51.3 -36.9 1.1 9.7 3.8 71 262 B K G < S+ 0 0 104 -3,-2.2 4,-0.5 1,-0.3 3,-0.5 0.722 87.0 68.7 -59.5 -26.1 -1.1 8.6 6.8 72 263 B L G <> S+ 0 0 0 -3,-2.4 4,-2.4 -6,-0.2 -1,-0.3 0.697 78.7 90.1 -60.0 -25.1 -2.0 5.4 4.8 73 264 B G H <> S+ 0 0 0 -3,-2.7 4,-2.8 -66,-0.5 5,-0.2 0.887 82.2 48.0 -36.8 -59.7 1.7 4.4 5.3 74 265 B K H > S+ 0 0 67 -3,-0.5 4,-2.3 -4,-0.2 5,-0.2 0.898 113.9 47.3 -54.1 -53.0 1.2 2.5 8.6 75 266 B I H > S+ 0 0 0 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.898 116.1 42.2 -52.1 -60.6 -1.8 0.5 7.4 76 267 B F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.874 112.4 51.9 -64.8 -40.4 -0.2 -0.6 4.1 77 268 B Y H X S+ 0 0 32 -4,-2.8 4,-1.9 -5,-0.2 3,-0.5 0.972 114.5 43.7 -59.6 -54.0 3.2 -1.4 5.4 78 269 B R H X>S+ 0 0 54 -4,-2.3 4,-2.0 -5,-0.2 5,-1.1 0.899 108.5 59.4 -54.4 -47.8 1.7 -3.6 8.1 79 270 B A H <>S+ 0 0 0 -4,-2.9 5,-0.5 -5,-0.2 4,-0.5 0.861 112.0 41.3 -50.0 -43.2 -0.7 -5.1 5.5 80 271 B L H X5S+ 0 0 0 -4,-2.1 4,-1.9 -3,-0.5 -2,-0.2 0.994 120.9 35.9 -64.6 -67.9 2.3 -6.3 3.5 81 272 B T H <5S+ 0 0 55 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.424 132.7 22.7 -75.5 -12.8 4.7 -7.6 6.2 82 273 B Q T <5S+ 0 0 98 -4,-2.0 -1,-0.2 -5,-0.2 -3,-0.2 0.599 133.4 27.8-119.8 -38.3 2.2 -9.1 8.7 83 274 B Y T 4 - 0 0 48 -2,-0.1 3,-0.7 1,-0.1 -25,-0.2 -0.948 27.1-120.2-121.8 153.9 1.6 -13.5 1.0 86 277 B P T 3 S+ 0 0 53 0, 0.0 2,-1.5 0, 0.0 -58,-0.1 0.948 117.6 54.3 -50.9 -45.0 4.1 -14.1 -1.8 87 278 B T T 3 S+ 0 0 128 -60,-0.1 2,-0.2 -3,-0.1 -27,-0.0 -0.346 89.4 158.1 -90.2 55.0 1.1 -15.6 -3.7 88 279 B S < - 0 0 11 -2,-1.5 -61,-2.9 -3,-0.7 -60,-0.3 -0.516 24.2-173.4 -87.8 143.9 -1.1 -12.5 -3.3 89 280 B N B > -A 26 0A 81 -63,-0.3 4,-1.6 -2,-0.2 -63,-0.3 -0.756 46.2 -89.1-113.5 179.8 -4.0 -11.2 -5.3 90 281 B F H > S+ 0 0 38 -65,-2.3 4,-1.9 -2,-0.3 -64,-0.1 0.903 124.7 51.0 -58.4 -48.0 -6.0 -8.0 -5.1 91 282 B S H > S+ 0 0 76 -66,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.828 103.6 57.7 -61.3 -38.2 -8.5 -9.4 -2.5 92 283 B Q H > S+ 0 0 50 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 108.1 48.8 -58.6 -42.3 -5.7 -10.6 -0.1 93 284 B L H X S+ 0 0 5 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.914 107.2 55.7 -58.9 -48.1 -4.5 -7.0 -0.1 94 285 B R H X S+ 0 0 112 -4,-1.9 4,-2.5 2,-0.2 3,-0.2 0.943 112.3 39.9 -51.9 -62.5 -8.0 -5.7 0.7 95 286 B A H X S+ 0 0 41 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.902 115.7 53.1 -51.8 -48.8 -8.5 -7.8 3.8 96 287 B A H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.880 111.8 45.2 -55.5 -46.3 -4.9 -7.2 4.9 97 288 B A H X S+ 0 0 0 -4,-3.0 4,-2.6 -3,-0.2 -1,-0.2 0.908 113.6 47.8 -68.8 -45.2 -5.2 -3.4 4.6 98 289 B V H X S+ 0 0 19 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.933 113.5 48.5 -61.3 -49.0 -8.7 -3.2 6.4 99 290 B Q H X S+ 0 0 84 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.960 111.0 51.9 -55.6 -45.1 -7.3 -5.5 9.3 100 291 B S H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.903 112.1 44.4 -55.7 -54.2 -4.2 -3.3 9.5 101 292 B A H X>S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.941 111.2 54.1 -56.0 -49.6 -6.3 -0.1 9.8 102 293 B T H X5S+ 0 0 46 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.887 114.3 42.2 -51.1 -48.3 -8.7 -1.7 12.3 103 294 B D H <5S+ 0 0 83 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.790 119.8 41.7 -67.0 -43.2 -5.6 -2.7 14.5 104 295 B L H <5S+ 0 0 65 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.825 132.9 13.3 -76.7 -40.0 -3.8 0.7 14.2 105 296 B Y H <5S- 0 0 77 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.375 106.8-104.2-122.8 6.0 -6.5 3.3 14.5 106 297 B G ><< - 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