==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 06-JUL-92 1ETT . COMPND 2 MOLECULE: EPSILON-THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR W.BODE,H.BRANDSTETTER . 296 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.1 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+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 1 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 5 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 0 1 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 1HL T 0 0 45 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 142.9 -44.8 -6.9 28.2 2 1GL F - 0 0 157 155,-0.0 155,-0.7 69,-0.0 4,-0.2 -0.922 360.0-109.5-150.1 163.1 -48.2 -5.7 29.4 3 1FL G B S+a 157 0A 22 -2,-0.3 2,-2.5 2,-0.1 156,-0.1 -0.418 98.8 26.3 -74.6 172.7 -51.0 -7.1 31.5 4 1EL A S S- 0 0 54 153,-0.8 2,-0.2 -2,-0.1 155,-0.2 -0.367 126.4 -38.5 66.7 -62.8 -54.3 -8.0 29.8 5 1DL G - 0 0 22 -2,-2.5 2,-0.5 153,-0.1 -2,-0.1 -0.589 30.6-131.8 168.9 137.3 -52.7 -8.7 26.3 6 1CL E - 0 0 60 1,-0.2 2,-2.7 -4,-0.2 -2,-0.1 0.113 55.3-116.4 -70.6 24.0 -50.2 -7.6 23.7 7 1BL A S S+ 0 0 68 -2,-0.5 -1,-0.2 1,-0.2 -3,-0.0 -0.472 117.1 45.8 50.5 -64.0 -53.0 -7.8 21.1 8 1AL D S > S+ 0 0 83 -2,-2.7 3,-1.1 -3,-0.1 -1,-0.2 0.544 93.0 120.3 -67.8 -6.6 -50.8 -10.6 19.6 9 1 L a T 3 S- 0 0 1 1,-0.3 146,-0.2 146,-0.1 147,-0.1 -0.198 75.5 -0.3 -82.9 151.7 -50.1 -12.4 22.8 10 2 L G T 3 S+ 0 0 0 144,-3.2 246,-0.9 245,-0.2 2,-0.6 0.663 95.5 117.5 59.6 21.1 -50.8 -15.9 23.8 11 3 L L < - 0 0 34 -3,-1.1 -1,-0.2 143,-0.3 244,-0.1 -0.951 62.5-140.4-120.6 103.7 -52.4 -16.5 20.4 12 4 L R >>> - 0 0 1 -2,-0.6 3,-1.4 1,-0.1 5,-1.3 -0.527 2.7-138.4 -70.6 127.3 -50.4 -19.1 18.8 13 5 L P I 34>S+ 0 0 16 0, 0.0 5,-1.1 0, 0.0 -1,-0.1 0.920 99.9 48.2 -38.7 -63.9 -49.7 -18.7 15.0 14 6 L L I 345S+ 0 0 33 136,-0.5 34,-0.1 33,-0.2 -2,-0.1 0.553 131.3 14.3 -66.5 -3.0 -50.2 -22.3 14.0 15 7 L F I <4>S+ 0 0 17 -3,-1.4 5,-2.8 32,-0.1 4,-0.4 0.542 126.9 40.7-133.1 -72.3 -53.5 -22.7 15.9 16 8 L E I ><5S+ 0 0 27 -4,-0.9 3,-1.2 1,-0.3 -2,-0.1 0.911 125.7 34.7 -57.3 -54.2 -55.2 -19.5 17.1 17 9 L K I 3 - 0 0 9 -2,-0.4 3,-0.6 26,-0.1 4,-0.3 -0.129 33.1 -92.2 -72.9-177.7 -54.7 -28.4 19.2 23 14AL Q T 3 S+ 0 0 142 1,-0.2 3,-0.2 2,-0.1 -1,-0.0 0.838 115.3 31.9 -74.7 -30.8 -55.1 -31.9 20.4 24 14BL T T 3> S+ 0 0 16 1,-0.2 4,-0.6 2,-0.1 3,-0.4 0.086 87.4 101.4-118.8 27.7 -55.5 -31.5 24.3 25 14CL E H X> S+ 0 0 4 -3,-0.6 4,-2.0 1,-0.2 3,-0.6 0.841 72.7 58.8 -86.4 -33.1 -57.3 -28.2 24.4 26 14DL K H 3> S+ 0 0 126 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.600 93.7 69.2 -76.6 -6.0 -60.9 -29.4 25.0 27 14EL E H 3> S+ 0 0 53 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.916 105.7 40.5 -71.2 -43.1 -59.7 -31.1 28.2 28 14FL L H XX S+ 0 0 1 -3,-0.6 4,-1.2 -4,-0.6 3,-0.7 0.979 114.2 51.0 -66.1 -59.3 -59.2 -27.6 29.6 29 14GL F H >X S+ 0 0 45 -4,-2.0 4,-1.3 1,-0.3 3,-0.7 0.884 112.3 49.5 -53.0 -42.8 -62.5 -26.2 28.0 30 14HL E H 3X S+ 0 0 94 -4,-2.3 4,-1.7 1,-0.2 -1,-0.3 0.889 100.8 62.1 -52.4 -45.5 -64.2 -29.2 29.6 31 14IL S H << S+ 0 0 12 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.774 105.0 51.1 -61.6 -22.7 -62.7 -28.6 33.0 32 14JL Y H XX S+ 0 0 23 -4,-1.2 3,-1.4 -3,-0.7 4,-1.2 0.903 108.1 45.4 -76.4 -46.9 -64.5 -25.2 33.0 33 14KL I H 3< S+ 0 0 132 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.755 114.8 50.9 -75.2 -20.0 -68.1 -26.2 32.2 34 14LL E T 3< S+ 0 0 141 -4,-1.7 -1,-0.3 136,-0.1 -2,-0.2 0.467 122.1 34.1 -83.6 -6.2 -67.8 -29.1 34.7 35 14ML G T <4 0 0 32 -3,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.735 360.0 360.0-101.5 -79.6 -66.6 -26.5 37.3 36 15 L R < 0 0 255 -4,-1.2 -3,-0.1 -5,-0.1 -4,-0.1 -0.244 360.0 360.0 88.3 360.0 -68.1 -23.1 37.0 37 !* 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 38 16 H I > 0 0 0 0, 0.0 3,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.8 -43.0 -34.3 32.2 39 17 H V B 3 +B 236 0B 13 197,-3.0 197,-2.2 1,-0.3 143,-0.1 -0.749 360.0 11.6 -85.9 132.5 -44.3 -37.4 34.1 40 18 H E T 3 S+ 0 0 127 141,-0.4 -1,-0.3 -2,-0.4 2,-0.2 0.775 98.5 158.9 62.9 37.9 -47.2 -38.8 32.0 41 19 H G < - 0 0 24 -3,-1.0 2,-0.3 159,-0.1 -1,-0.2 -0.513 32.3-154.6 -83.9 153.0 -46.4 -36.5 29.1 42 20 H Q E -C 199 0C 100 157,-1.9 157,-1.9 -2,-0.2 0, 0.0 -0.937 39.6 -87.9-113.9 146.7 -47.4 -37.0 25.5 43 21 H D E -C 198 0C 96 -2,-0.3 2,-0.4 155,-0.2 155,-0.2 -0.135 46.0-116.8 -49.0 143.0 -45.2 -35.4 22.7 44 22 H A - 0 0 8 153,-2.1 2,-0.2 59,-0.2 -1,-0.1 -0.691 19.1-114.4 -83.7 136.9 -46.1 -31.9 21.7 45 23 H E > - 0 0 53 -2,-0.4 3,-2.6 1,-0.1 4,-0.2 -0.507 49.1 -91.3 -48.9 131.9 -47.3 -30.8 18.4 46 24 H V T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.341 116.1 19.2 -51.3 122.3 -44.7 -28.5 16.6 47 25 H G T 3 S+ 0 0 11 55,-0.3 -1,-0.3 104,-0.1 -33,-0.2 0.341 83.6 124.9 93.5 -1.0 -45.6 -25.1 17.6 48 26 H L S < S+ 0 0 3 -3,-2.6 -2,-0.1 1,-0.3 3,-0.1 0.824 84.1 24.5 -67.0 -35.8 -47.8 -25.8 20.8 49 27 H S > + 0 0 10 -4,-0.2 3,-2.2 1,-0.1 -1,-0.3 -0.722 69.3 166.9-124.0 77.5 -45.8 -23.6 23.3 50 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.5 0, 0.0 -1,-0.1 0.710 77.1 60.3 -73.8 -17.4 -44.1 -20.9 21.1 51 29 H W T 3 S+ 0 0 3 101,-0.2 18,-1.8 103,-0.1 2,-0.6 0.456 78.9 120.9 -73.7 -6.8 -43.3 -18.9 24.2 52 30 H Q E < -K 68 0D 4 -3,-2.2 49,-1.3 16,-0.2 50,-0.4 -0.552 40.0-179.3 -74.7 117.0 -41.3 -21.9 25.5 53 31 H V E -KL 67 100D 0 14,-2.2 14,-1.4 -2,-0.6 2,-0.4 -0.706 16.5-141.1 -99.1 163.2 -37.6 -20.9 26.0 54 32 H M E -KL 66 99D 0 45,-2.1 45,-2.8 -2,-0.3 2,-0.4 -0.989 8.8-137.3-128.7 130.3 -34.9 -23.3 27.2 55 33 H L E -KL 65 98D 0 10,-2.6 9,-2.9 -2,-0.4 10,-0.7 -0.792 26.4-177.3 -94.4 137.0 -32.1 -22.5 29.8 56 34 H F E -KL 63 97D 24 41,-2.4 41,-1.9 -2,-0.4 2,-0.3 -0.972 28.3-121.1-140.7 145.8 -28.6 -23.8 29.0 57 35 H R E - L 0 96D 91 5,-2.5 39,-0.2 -2,-0.3 38,-0.0 -0.631 25.0-133.8 -88.2 142.1 -25.1 -23.7 30.7 58 36 H K S S+ 0 0 91 37,-2.6 3,-0.2 1,-0.3 -1,-0.1 0.830 84.5 33.6 -65.3 -32.9 -22.5 -22.1 28.4 59 36AH S S S+ 0 0 98 1,-0.5 -1,-0.3 36,-0.3 2,-0.1 -0.828 119.8 25.5-174.5 125.7 -19.9 -24.7 28.9 60 37 H P S S- 0 0 86 0, 0.0 2,-1.8 0, 0.0 -1,-0.5 0.767 101.4-115.5 -70.2 167.2 -20.2 -27.6 29.3 61 38 H Q + 0 0 144 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.1 -0.294 51.9 145.8 -81.0 63.5 -23.6 -27.7 27.5 62 39 H E - 0 0 74 -2,-1.8 -5,-2.5 1,-0.0 2,-0.3 -0.752 47.5-120.9-104.5 147.2 -26.6 -28.7 29.6 63 40 H L E +K 56 0D 36 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.566 31.6 176.0 -53.4 131.1 -30.3 -27.8 29.8 64 41 H L E - 0 0 20 -9,-2.9 2,-0.3 1,-0.4 176,-0.2 0.714 53.2 -19.9-117.1 -33.5 -31.0 -26.4 33.3 65 42 H b E -K 55 0D 2 -10,-0.7 -10,-2.6 176,-0.1 -1,-0.4 -0.981 60.2-104.3-166.8 154.8 -34.7 -25.3 33.4 66 43 H G E +K 54 0D 3 176,-2.3 12,-0.4 -2,-0.3 2,-0.3 -0.395 40.0 176.4 -72.1 175.0 -37.7 -24.3 31.2 67 44 H A E -K 53 0D 0 -14,-1.4 -14,-2.2 -2,-0.1 2,-0.3 -0.958 20.9-122.4-166.3 167.2 -38.6 -20.7 30.9 68 45 H S E -KM 52 76D 0 8,-2.4 8,-2.6 -2,-0.3 2,-0.7 -0.951 11.5-130.8-128.6 154.7 -41.1 -18.5 29.0 69 46 H L E + M 0 75D 0 -18,-1.8 86,-1.5 -2,-0.3 6,-0.2 -0.879 31.6 164.8-101.3 115.2 -40.8 -15.6 26.6 70 47 H I S S+ 0 0 4 4,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.594 70.0 10.9-106.6 -17.9 -43.2 -12.9 27.8 71 48 H S S S- 0 0 3 3,-1.3 -1,-0.3 -70,-0.1 3,-0.1 -0.927 83.7-101.1-139.6 171.6 -41.7 -10.1 25.6 72 49 H D S S+ 0 0 56 -2,-0.3 74,-1.9 1,-0.2 3,-0.1 0.341 126.5 36.0 -66.2 16.0 -39.2 -9.8 22.7 73 50 H R S S+ 0 0 122 1,-0.2 69,-4.0 72,-0.2 2,-0.4 0.570 110.9 59.7-149.7 -39.8 -36.7 -8.8 25.5 74 51 H W E - 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