==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-JUN-12 4FWD . COMPND 2 MOLECULE: TTC1975 PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEIOTHERMUS TAIWANENSIS; . AUTHOR C.I.CHANG,C.I.KUO,K.F.HUANG . 586 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 8.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 39 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 3 2 3 0 1 2 1 0 1 3 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 2 3 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 3 0 1 0 2 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 . 4 1 1 1 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 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 1 A M 0 0 113 0, 0.0 553,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.3 -44.8 10.3 52.6 2 2 A R B -A 553 0A 158 551,-0.2 2,-0.7 549,-0.0 551,-0.2 -0.620 360.0-135.5 -87.0 145.1 -47.1 7.7 51.0 3 3 A L - 0 0 16 549,-2.6 549,-0.5 -2,-0.3 5,-0.0 -0.907 19.7-150.5-104.7 113.4 -47.8 8.4 47.3 4 4 A S > - 0 0 56 -2,-0.7 4,-1.1 1,-0.1 542,-0.1 -0.278 26.5-109.7 -73.2 168.1 -51.5 7.9 46.5 5 5 A Y H > S+ 0 0 39 540,-0.2 4,-2.3 2,-0.2 3,-0.2 0.839 121.6 55.9 -55.3 -40.1 -52.7 6.8 43.1 6 6 A E H 4 S+ 0 0 130 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.919 108.0 47.3 -69.4 -44.1 -54.1 10.2 42.6 7 7 A A H 4 S+ 0 0 53 1,-0.2 -1,-0.3 3,-0.0 -2,-0.2 0.715 115.9 45.9 -59.7 -31.1 -50.6 11.7 43.2 8 8 A L H < S+ 0 0 2 -4,-1.1 529,-0.2 -3,-0.2 -2,-0.2 0.782 84.7 103.4 -85.7 -28.1 -49.0 9.2 40.9 9 9 A E < + 0 0 43 -4,-2.3 526,-0.0 1,-0.2 -5,-0.0 -0.291 33.5 156.9 -61.1 131.6 -51.5 9.4 37.9 10 10 A W + 0 0 19 527,-0.2 -1,-0.2 2,-0.1 -4,-0.0 0.450 29.0 115.8-134.3 -16.9 -49.8 11.4 35.2 11 11 A R - 0 0 68 1,-0.1 288,-0.1 0, 0.0 287,-0.0 -0.211 70.0-107.7 -65.6 146.8 -51.5 10.3 32.0 12 12 A T - 0 0 47 286,-0.2 -1,-0.1 1,-0.1 290,-0.1 -0.728 34.6-118.6 -71.8 118.1 -53.6 12.7 29.8 13 13 A P - 0 0 102 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.321 28.7-138.9 -54.3 140.0 -57.4 11.9 30.1 14 14 A I - 0 0 42 284,-0.0 2,-0.4 285,-0.0 3,-0.2 -0.905 18.3-172.9-107.4 125.0 -58.8 10.9 26.6 15 15 A E S S+ 0 0 152 -2,-0.5 4,-0.1 1,-0.2 279,-0.0 -0.940 74.9 1.6-106.9 145.6 -62.2 12.2 25.5 16 16 A N S > S- 0 0 101 -2,-0.4 3,-1.9 1,-0.1 278,-0.4 0.942 77.2-171.2 44.6 60.7 -63.7 10.8 22.2 17 17 A S T 3 S+ 0 0 41 1,-0.3 278,-2.2 -3,-0.2 279,-0.4 0.833 76.3 48.6 -52.0 -45.1 -60.7 8.4 21.7 18 18 A T T 3 S+ 0 0 105 276,-0.2 -1,-0.3 275,-0.1 -2,-0.1 0.576 79.8 119.6 -80.6 -6.6 -61.8 7.3 18.2 19 19 A E S < S- 0 0 93 -3,-1.9 275,-2.1 -4,-0.1 276,-0.1 -0.417 70.5-111.6 -62.4 133.5 -62.4 10.7 16.8 20 20 A P B -H 293 0B 103 0, 0.0 2,-0.3 0, 0.0 273,-0.2 -0.288 30.9-127.2 -59.0 139.2 -60.2 11.6 13.7 21 21 A V - 0 0 10 271,-2.7 2,-0.4 -3,-0.1 271,-0.3 -0.727 24.0-173.1 -89.5 142.3 -57.7 14.4 14.4 22 22 A S + 0 0 112 -2,-0.3 261,-0.1 2,-0.0 260,-0.0 -0.961 22.5 141.9-136.8 110.2 -57.7 17.3 12.1 23 23 A L - 0 0 54 -2,-0.4 263,-0.0 259,-0.2 264,-0.0 -0.991 47.8-108.0-153.1 146.8 -54.9 19.9 12.6 24 24 A P - 0 0 103 0, 0.0 259,-0.2 0, 0.0 260,-0.1 -0.490 46.2 -93.6 -78.8 151.6 -52.6 22.1 10.4 25 25 A P - 0 0 91 0, 0.0 259,-0.1 0, 0.0 256,-0.1 -0.305 42.9-126.4 -59.7 136.4 -48.8 21.2 10.1 26 26 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 4,-0.1 -0.515 33.6 -90.0 -83.9 165.0 -46.7 23.2 12.6 27 27 A P > - 0 0 92 0, 0.0 3,-1.4 0, 0.0 39,-0.1 -0.378 50.7 -86.5 -64.8 154.5 -43.8 25.2 11.4 28 28 A P T 3 S+ 0 0 43 0, 0.0 4,-0.1 0, 0.0 34,-0.1 -0.241 116.6 26.4 -45.2 142.5 -40.1 23.7 11.1 29 29 A F T > S+ 0 0 9 1,-0.2 3,-2.5 -3,-0.1 7,-0.2 0.649 80.1 173.6 73.7 16.0 -38.4 24.1 14.5 30 30 A F T < S+ 0 0 28 -3,-1.4 -1,-0.2 1,-0.3 247,-0.0 -0.318 73.7 10.3 -58.9 139.2 -41.5 24.1 16.6 31 31 A G T 3 S+ 0 0 11 1,-0.1 2,-0.3 240,-0.0 -1,-0.3 0.422 109.0 96.0 78.6 -4.2 -40.5 24.0 20.3 32 32 A Q <> + 0 0 12 -3,-2.5 4,-1.9 1,-0.2 3,-0.3 -0.421 38.9 152.0-120.5 64.4 -37.0 24.6 19.2 33 33 A E H > S+ 0 0 102 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.900 70.9 54.6 -68.3 -40.0 -36.7 28.5 19.7 34 34 A R H > S+ 0 0 173 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 111.8 41.0 -57.1 -45.2 -33.0 28.5 20.4 35 35 A A H > S+ 0 0 0 231,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.862 115.0 50.8 -81.3 -38.6 -32.0 26.6 17.2 36 36 A R H X S+ 0 0 65 -4,-1.9 4,-2.4 -7,-0.2 -1,-0.2 0.907 111.9 47.2 -55.4 -47.2 -34.4 28.5 14.9 37 37 A E H X S+ 0 0 119 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.886 112.2 50.3 -73.8 -33.9 -33.2 31.9 16.1 38 38 A A H X S+ 0 0 18 -4,-2.0 4,-2.4 -5,-0.3 5,-0.3 0.966 114.0 46.2 -60.8 -52.6 -29.5 30.8 15.7 39 39 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.898 109.5 53.0 -62.3 -36.5 -30.3 29.7 12.2 40 40 A E H X S+ 0 0 63 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.973 110.8 48.7 -59.5 -47.1 -32.2 32.8 11.3 41 41 A L H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 6,-0.3 0.913 110.4 48.8 -51.7 -54.4 -29.2 34.8 12.4 42 42 A A H X>S+ 0 0 1 -4,-2.4 5,-1.3 1,-0.2 4,-0.8 0.886 113.8 48.3 -62.3 -36.1 -26.8 32.7 10.3 43 43 A I H ><5S+ 0 0 31 -4,-2.5 3,-0.7 -5,-0.3 -2,-0.2 0.954 112.1 49.0 -69.4 -39.4 -29.1 33.1 7.3 44 44 A R H 3<5S+ 0 0 217 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.862 120.5 36.1 -70.0 -34.4 -29.4 36.9 7.9 45 45 A G H 3<5S- 0 0 37 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.476 103.4-118.0 -97.5 4.3 -25.6 37.3 8.2 46 46 A G T <<5 + 0 0 46 -4,-0.8 2,-0.2 -3,-0.7 -3,-0.2 0.789 63.4 152.5 58.6 19.9 -24.2 34.8 5.7 47 47 A F < - 0 0 95 -5,-1.3 2,-0.2 -6,-0.3 -1,-0.2 -0.610 48.6-118.2 -78.4 152.6 -22.5 33.0 8.6 48 48 A H E -i 261 0C 39 212,-0.5 215,-1.6 -2,-0.2 214,-0.6 -0.592 39.6-169.0 -81.7 150.7 -21.8 29.3 8.5 49 49 A A E -ij 263 240C 0 190,-2.2 192,-2.6 -2,-0.2 2,-0.4 -0.858 20.1-141.7-139.2 165.9 -23.6 27.4 11.2 50 50 A Y E -ij 264 241C 15 213,-2.2 215,-3.4 -2,-0.3 2,-0.6 -1.000 10.7-147.7-135.1 134.2 -23.8 24.0 12.9 51 51 A L E -ij 265 242C 0 190,-2.5 192,-1.9 -2,-0.4 2,-0.4 -0.923 23.0-173.3-104.8 117.2 -26.9 22.2 14.0 52 52 A V E +ij 266 243C 0 213,-1.7 215,-3.0 -2,-0.6 192,-0.2 -0.893 22.7 112.7-119.5 138.0 -26.3 20.2 17.1 53 53 A G - 0 0 0 190,-1.6 215,-0.1 -2,-0.4 4,-0.1 -0.923 62.4 -65.9 172.7 163.0 -28.6 17.7 18.9 54 54 A P > - 0 0 35 0, 0.0 3,-0.7 0, 0.0 5,-0.2 -0.135 64.6 -81.2 -59.1 165.6 -29.0 14.0 19.7 55 55 A P T 3 S+ 0 0 84 0, 0.0 262,-0.0 0, 0.0 188,-0.0 -0.250 108.9 26.6 -64.7 155.9 -29.7 11.4 17.0 56 56 A S T 3 S+ 0 0 40 -3,-0.1 263,-1.0 1,-0.1 264,-0.9 0.684 79.4 120.4 65.1 26.0 -33.4 10.9 15.8 57 57 A L S < S- 0 0 6 -3,-0.7 261,-0.6 260,-0.2 -1,-0.1 0.541 83.2-114.1 -91.4 -8.7 -34.5 14.4 16.5 58 58 A G > + 0 0 16 259,-0.1 4,-2.5 260,-0.1 5,-0.2 0.839 63.5 149.2 91.8 15.2 -35.4 15.2 13.0 59 59 A K H > S+ 0 0 12 -5,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 72.7 45.0 -62.5 -44.5 -32.6 17.9 12.6 60 60 A H H > S+ 0 0 55 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.984 113.4 49.1 -66.4 -48.8 -32.1 17.3 8.8 61 61 A E H > S+ 0 0 87 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.908 114.1 46.3 -55.2 -45.8 -35.8 17.2 8.0 62 62 A A H X S+ 0 0 18 -4,-2.5 4,-2.5 2,-0.2 -1,-0.3 0.871 113.7 49.5 -62.2 -43.0 -36.4 20.4 9.9 63 63 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.952 110.8 47.8 -59.8 -54.9 -33.4 22.1 8.3 64 64 A L H X S+ 0 0 55 -4,-3.0 4,-2.1 2,-0.2 3,-0.3 0.970 114.4 47.2 -55.5 -45.1 -34.4 21.2 4.7 65 65 A A H < S+ 0 0 46 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.939 112.9 48.5 -62.8 -45.1 -38.0 22.4 5.2 66 66 A Y H >< S+ 0 0 36 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.3 0.868 110.3 51.7 -63.6 -25.7 -36.8 25.6 6.8 67 67 A L H >< S+ 0 0 0 -4,-2.3 3,-2.3 -3,-0.3 -2,-0.2 0.874 98.6 66.6 -79.9 -31.3 -34.4 26.1 3.9 68 68 A S T 3< S+ 0 0 69 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.623 95.3 58.3 -55.0 -18.2 -37.2 25.6 1.2 69 69 A T T < S+ 0 0 90 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.460 88.3 98.0 -97.3 -3.5 -38.9 28.8 2.4 70 70 A Q < - 0 0 39 -3,-2.3 2,-0.4 -4,-0.1 -3,-0.0 -0.308 55.7-157.6 -89.4 174.1 -36.0 31.0 1.7 71 71 A S + 0 0 81 76,-0.1 2,-0.3 75,-0.1 75,-0.3 -0.982 14.1 168.1-152.5 131.1 -35.4 33.1 -1.3 72 72 A V B -M 145 0D 49 73,-4.3 73,-0.5 -2,-0.4 117,-0.0 -0.938 48.7 -74.9-135.2 160.1 -32.3 34.6 -2.9 73 73 A E S S- 0 0 175 -2,-0.3 71,-0.1 1,-0.1 -2,-0.0 -0.338 71.6 -86.2 -46.2 132.2 -31.3 36.3 -6.2 74 74 A T - 0 0 50 69,-0.1 21,-0.2 1,-0.1 71,-0.2 -0.174 56.1-101.9 -46.9 134.9 -31.2 33.6 -8.9 75 75 A P - 0 0 8 0, 0.0 67,-0.6 0, 0.0 -1,-0.1 -0.459 35.1-109.0 -69.6 138.0 -27.7 32.0 -8.8 76 76 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 19,-0.0 -0.068 43.6 -93.2 -48.4 154.7 -25.1 33.0 -11.5 77 77 A D - 0 0 3 16,-0.2 16,-0.9 64,-0.1 2,-0.5 -0.424 44.6-135.2 -66.5 156.8 -24.3 30.4 -14.1 78 78 A L E +NO 92 140E 4 62,-2.4 61,-4.1 14,-0.2 62,-1.4 -0.950 31.5 160.9-131.5 119.7 -21.3 28.4 -13.1 79 79 A L E -NO 91 138E 0 12,-2.3 12,-4.9 -2,-0.5 2,-0.6 -0.938 37.6-139.3-139.9 153.9 -18.5 27.5 -15.3 80 80 A Y E -NO 90 137E 0 57,-2.0 57,-4.3 -2,-0.3 10,-0.2 -0.955 30.8-177.7 -92.8 121.2 -14.9 26.3 -15.7 81 81 A V E -N 89 0E 25 8,-2.1 8,-2.0 -2,-0.6 2,-0.2 -0.961 28.6-106.3-114.8 150.3 -13.2 28.1 -18.6 82 82 A P E -N 88 0E 9 0, 0.0 6,-0.3 0, 0.0 39,-0.2 -0.455 24.3-179.0 -62.7 127.9 -9.5 27.6 -19.9 83 83 A L S S- 0 0 46 4,-1.7 2,-0.3 -2,-0.2 5,-0.2 0.270 81.5 -22.2 -99.5 9.7 -6.8 30.1 -19.1 84 84 A S S S- 0 0 32 3,-0.9 3,-0.3 50,-0.0 -1,-0.2 -0.921 84.9 -75.2 166.5-174.9 -4.5 27.8 -21.2 85 85 A E S S+ 0 0 85 -2,-0.3 3,-0.1 1,-0.2 49,-0.0 0.441 131.8 32.6 -92.7 -6.2 -4.1 24.2 -22.4 86 86 A R S S+ 0 0 170 1,-0.1 143,-2.5 88,-0.1 2,-0.3 0.047 113.5 70.2-134.2 22.3 -3.1 23.0 -18.9 87 87 A K E - 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