==== 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 01-JUL-12 4FWH . COMPND 2 MOLECULE: TTC1975 PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEIOTHERMUS TAIWANENSIS; . AUTHOR C.I.CHANG,C.I.KUO,K.F.HUANG . 580 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.8 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 . 3 0.5 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 . 40 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 1 0 2 1 2 0 1 3 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 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 PARALLEL BRIDGES PER LADDER . 3 3 3 0 0 1 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 . 3 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 0 116 0, 0.0 547,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 157.3 31.5 -33.8 -51.8 2 2 A R E -A 547 0A 165 545,-0.2 2,-0.6 543,-0.0 545,-0.2 -0.839 360.0-136.5 -97.9 135.6 30.4 -36.9 -50.0 3 3 A L E -A 546 0A 17 543,-3.0 543,-0.6 -2,-0.4 2,-0.1 -0.851 21.2-143.3 -99.6 126.1 31.4 -37.1 -46.4 4 4 A S > - 0 0 55 -2,-0.6 4,-2.0 1,-0.1 5,-0.1 -0.336 26.8-108.0 -80.7 166.4 32.7 -40.6 -45.5 5 5 A Y H > S+ 0 0 35 534,-0.3 4,-2.1 1,-0.2 535,-0.1 0.851 123.1 56.6 -53.9 -42.6 32.1 -42.3 -42.3 6 6 A E H 4 S+ 0 0 138 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.898 106.1 48.0 -61.9 -42.7 35.9 -41.6 -41.6 7 7 A A H 4 S+ 0 0 49 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.885 114.5 49.4 -62.5 -34.7 35.4 -37.9 -42.1 8 8 A L H < S+ 0 0 2 -4,-2.0 523,-0.2 528,-0.1 -2,-0.2 0.866 84.1 95.4 -75.9 -33.9 32.4 -38.0 -39.8 9 9 A E < + 0 0 38 -4,-2.1 -5,-0.0 1,-0.2 520,-0.0 -0.360 36.1 158.7 -69.3 134.6 33.7 -39.9 -36.8 10 10 A W + 0 0 17 521,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.321 31.4 117.9-138.2 -9.0 34.9 -37.4 -34.2 11 11 A R - 0 0 71 1,-0.1 282,-0.1 0, 0.0 281,-0.0 -0.288 67.4-107.3 -68.9 161.4 34.8 -39.5 -31.1 12 12 A T - 0 0 45 280,-0.2 -1,-0.1 1,-0.1 284,-0.1 -0.724 32.5-115.7 -89.4 128.9 37.8 -40.3 -28.9 13 13 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.315 30.0-141.4 -69.3 146.7 39.2 -43.8 -29.1 14 14 A I - 0 0 44 278,-0.0 2,-0.4 279,-0.0 3,-0.2 -0.921 18.9-177.5-112.2 137.0 38.9 -45.6 -25.7 15 15 A E S S+ 0 0 149 -2,-0.4 4,-0.1 1,-0.2 273,-0.0 -0.998 72.4 4.4-136.7 139.3 41.5 -48.0 -24.3 16 16 A N S > S- 0 0 94 -2,-0.4 3,-1.8 2,-0.1 272,-0.4 0.945 74.2-171.1 45.7 63.0 41.2 -49.8 -21.1 17 17 A S T 3 S+ 0 0 45 1,-0.3 272,-2.2 271,-0.2 273,-0.5 0.807 76.3 46.4 -55.5 -40.9 37.6 -48.6 -20.6 18 18 A T T 3 S+ 0 0 102 270,-0.2 -1,-0.3 269,-0.2 -2,-0.1 0.511 79.5 120.9 -83.8 -6.0 37.2 -49.9 -17.0 19 19 A E < - 0 0 100 -3,-1.8 269,-1.9 1,-0.1 270,-0.2 -0.403 68.5-115.3 -61.3 130.0 40.4 -48.8 -15.6 20 20 A P B -H 287 0B 102 0, 0.0 2,-0.4 0, 0.0 267,-0.3 -0.202 29.6-125.5 -59.1 151.0 40.0 -46.4 -12.6 21 21 A V - 0 0 11 265,-2.5 2,-0.5 -3,-0.1 265,-0.3 -0.818 22.2-169.3-104.6 143.8 41.3 -42.9 -13.2 22 22 A S + 0 0 112 -2,-0.4 255,-0.1 2,-0.0 254,-0.0 -0.991 23.4 144.1-130.8 123.2 43.8 -41.3 -10.9 23 23 A L - 0 0 52 -2,-0.5 -2,-0.0 253,-0.1 251,-0.0 -0.979 44.6-117.2-162.7 144.4 44.5 -37.6 -11.3 24 24 A P - 0 0 99 0, 0.0 253,-0.2 0, 0.0 254,-0.1 -0.493 47.1 -93.2 -81.0 154.5 45.3 -34.6 -9.2 25 25 A P - 0 0 90 0, 0.0 253,-0.1 0, 0.0 250,-0.1 -0.493 36.2-124.2 -73.0 130.1 42.9 -31.6 -9.2 26 26 A P - 0 0 28 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.357 37.3 -98.9 -66.9 154.7 43.4 -28.8 -11.8 27 27 A P > - 0 0 88 0, 0.0 3,-1.0 0, 0.0 39,-0.0 -0.373 50.7 -78.7 -64.9 161.5 43.8 -25.3 -10.2 28 28 A P T 3 S+ 0 0 46 0, 0.0 4,-0.1 0, 0.0 34,-0.0 -0.317 116.1 27.0 -54.8 135.6 40.8 -22.9 -10.2 29 29 A F T > S+ 0 0 8 1,-0.2 3,-2.2 -3,-0.1 7,-0.2 0.605 74.7 171.0 91.3 16.6 40.3 -21.3 -13.6 30 30 A F T < S+ 0 0 33 -3,-1.0 -1,-0.2 1,-0.3 241,-0.0 -0.371 75.1 11.2 -68.6 139.8 41.8 -23.8 -15.9 31 31 A G T 3 S+ 0 0 39 -2,-0.1 -1,-0.3 1,-0.1 231,-0.2 0.550 108.8 98.4 69.9 8.3 41.2 -23.0 -19.6 32 32 A Q <> + 0 0 13 -3,-2.2 4,-1.8 1,-0.1 5,-0.2 -0.420 39.7 151.2-119.9 69.0 40.0 -19.6 -18.2 33 33 A E H > S+ 0 0 134 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.940 71.0 48.3 -66.0 -54.9 43.2 -17.5 -18.8 34 34 A R H > S+ 0 0 162 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 112.9 46.5 -54.6 -49.1 41.5 -14.2 -19.3 35 35 A A H > S+ 0 0 1 225,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.816 112.0 50.8 -66.2 -37.9 39.3 -14.4 -16.3 36 36 A R H X S+ 0 0 74 -4,-1.8 4,-1.4 -7,-0.2 -1,-0.2 0.921 112.8 45.5 -60.7 -49.7 42.1 -15.5 -14.0 37 37 A E H X S+ 0 0 100 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.913 111.5 51.7 -66.3 -41.6 44.3 -12.7 -15.0 38 38 A A H X S+ 0 0 17 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.975 112.9 47.6 -56.6 -50.7 41.5 -10.1 -14.7 39 39 A L H X S+ 0 0 2 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.3 0.807 109.0 53.6 -63.8 -26.4 40.9 -11.4 -11.3 40 40 A E H X S+ 0 0 72 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.944 108.4 48.5 -73.6 -42.7 44.5 -11.3 -10.5 41 41 A L H X S+ 0 0 87 -4,-2.7 4,-3.1 1,-0.2 6,-0.3 0.952 109.1 53.9 -54.8 -49.8 44.8 -7.7 -11.4 42 42 A A H X>S+ 0 0 3 -4,-2.6 5,-1.0 1,-0.2 4,-0.9 0.864 111.7 45.3 -57.0 -39.4 41.8 -6.9 -9.4 43 43 A I H <5S+ 0 0 24 -4,-1.7 3,-0.4 2,-0.2 -1,-0.2 0.916 114.7 44.1 -70.8 -49.1 43.4 -8.5 -6.2 44 44 A R H <5S+ 0 0 219 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.984 120.7 45.5 -59.9 -46.9 46.9 -7.0 -6.5 45 45 A G H <5S- 0 0 37 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.526 102.8-123.5 -70.9 -13.8 45.2 -3.6 -7.3 46 46 A G T <5 + 0 0 40 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.575 61.8 149.4 78.1 4.8 42.4 -3.4 -4.6 47 47 A F < - 0 0 96 -5,-1.0 2,-0.2 -6,-0.3 -1,-0.2 -0.326 49.8-120.6 -75.1 151.7 39.9 -3.0 -7.4 48 48 A H - 0 0 36 206,-0.4 209,-1.6 184,-0.1 208,-0.5 -0.581 39.7-177.6 -74.3 148.4 36.2 -4.2 -7.5 49 49 A A E -ij 234 257C 1 184,-2.0 186,-1.8 -2,-0.2 2,-0.4 -0.939 22.4-132.7-145.3 167.5 35.5 -6.6 -10.2 50 50 A Y E -ij 235 258C 17 207,-2.4 209,-2.9 -2,-0.3 2,-0.6 -0.995 10.2-144.4-126.4 140.5 32.7 -8.6 -11.8 51 51 A L E -ij 236 259C 0 184,-3.6 186,-2.1 -2,-0.4 2,-0.5 -0.840 26.2-174.2-100.1 112.1 32.7 -12.2 -12.9 52 52 A V E +ij 237 260C 0 207,-1.8 209,-2.4 -2,-0.6 186,-0.2 -0.905 20.8 111.5-122.7 134.8 30.6 -12.7 -16.1 53 53 A G - 0 0 1 184,-2.0 3,-0.1 -2,-0.5 209,-0.1 -0.963 60.0 -69.1 176.6 166.0 29.6 -15.8 -17.9 54 54 A P > - 0 0 31 0, 0.0 3,-0.6 0, 0.0 5,-0.2 -0.086 65.7 -75.9 -66.5 169.0 26.8 -18.0 -18.8 55 55 A P T 3 S+ 0 0 78 0, 0.0 256,-0.0 0, 0.0 258,-0.0 -0.216 107.5 20.5 -71.1 152.5 24.9 -20.1 -16.4 56 56 A S T 3 S+ 0 0 48 -3,-0.1 257,-1.1 1,-0.1 258,-0.9 0.735 79.0 120.8 64.7 33.4 26.2 -23.4 -14.9 57 57 A L S < S- 0 0 9 -3,-0.6 255,-0.7 254,-0.2 -1,-0.1 0.621 82.0-115.9 -96.4 -14.2 29.9 -22.8 -15.5 58 58 A G > + 0 0 16 253,-0.1 4,-2.3 254,-0.1 5,-0.3 0.691 59.5 154.7 83.7 27.5 30.7 -23.0 -11.9 59 59 A K H > S+ 0 0 13 -5,-0.2 4,-2.3 1,-0.2 5,-0.2 0.873 71.0 49.4 -57.2 -42.0 31.9 -19.3 -11.6 60 60 A H H > S+ 0 0 57 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.952 109.2 47.7 -62.1 -53.9 31.1 -19.2 -7.9 61 61 A E H > S+ 0 0 90 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.919 114.1 49.4 -63.7 -37.1 32.9 -22.4 -6.8 62 62 A A H X S+ 0 0 22 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.926 111.3 48.1 -64.4 -47.7 36.0 -21.3 -8.8 63 63 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.945 112.5 49.4 -54.6 -52.0 36.0 -17.8 -7.3 64 64 A L H X S+ 0 0 60 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.819 113.0 45.0 -60.7 -29.2 35.7 -19.2 -3.7 65 65 A A H X S+ 0 0 47 -4,-1.4 4,-0.6 -5,-0.3 -1,-0.2 0.920 112.7 52.6 -85.6 -37.9 38.4 -21.7 -4.1 66 66 A Y H >< S+ 0 0 29 -4,-2.5 3,-0.6 -5,-0.2 -2,-0.2 0.835 109.4 48.2 -59.3 -34.3 40.6 -19.2 -5.7 67 67 A L H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.811 99.2 67.7 -78.3 -28.9 40.0 -16.7 -2.8 68 68 A S H 3< S+ 0 0 68 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.655 96.6 56.6 -60.0 -15.6 40.8 -19.4 -0.2 69 69 A T T << S+ 0 0 97 -3,-0.6 -1,-0.3 -4,-0.6 2,-0.2 0.285 88.1 103.6 -99.1 6.0 44.3 -19.3 -1.4 70 70 A Q < - 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