==== 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 1ETS . 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) . 14454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 27.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 10.1 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 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 4 1 4 3 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 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 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.1 -43.5 -7.2 9.8 2 1GL F - 0 0 212 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.940 360.0-143.9-152.5 161.5 -43.4 -4.6 12.7 3 1FL G + 0 0 75 -2,-0.3 2,-0.2 144,-0.1 144,-0.0 -0.885 33.8 130.1-125.6 168.3 -41.6 -4.5 16.1 4 1EL A - 0 0 67 -2,-0.3 68,-0.2 3,-0.0 3,-0.1 -0.898 57.4 -67.9 175.6-170.2 -42.9 -3.0 19.4 5 1DL G S S- 0 0 35 -2,-0.2 2,-0.2 1,-0.2 66,-0.0 -0.210 87.2 -38.2 -89.2-167.8 -43.0 -4.1 23.1 6 1CL E S S+ 0 0 108 1,-0.1 -1,-0.2 -2,-0.1 3,-0.1 -0.387 81.5 147.8 -60.9 125.8 -45.3 -6.9 24.3 7 1BL A + 0 0 74 1,-0.7 2,-0.1 -2,-0.2 -1,-0.1 0.367 52.6 7.9-133.4-122.8 -48.5 -6.5 22.4 8 1AL D S S+ 0 0 76 148,-0.0 -1,-0.7 2,-0.0 2,-0.3 -0.522 81.3 157.7 -63.2 153.6 -51.1 -9.1 21.2 9 1 L a + 0 0 17 -2,-0.1 146,-0.2 -3,-0.1 147,-0.1 -0.906 33.3 53.1-165.4 167.3 -50.1 -12.4 22.7 10 2 L G S S+ 0 0 0 144,-2.6 246,-1.4 -2,-0.3 2,-0.7 0.345 76.0 106.2 76.6 -11.1 -51.3 -15.7 23.7 11 3 L L - 0 0 32 244,-0.2 -1,-0.1 143,-0.1 244,-0.1 -0.927 68.7-139.4-100.1 120.5 -52.7 -16.7 20.3 12 4 L R > > - 0 0 0 -2,-0.7 5,-1.9 1,-0.1 3,-0.8 -0.678 7.0-134.0 -73.6 146.0 -50.4 -19.2 18.9 13 5 L P T 3 >S+ 0 0 16 0, 0.0 5,-0.8 0, 0.0 4,-0.2 0.992 101.0 44.7 -65.0 -58.9 -49.7 -18.7 15.1 14 6 L L T 3 5S+ 0 0 34 136,-0.6 34,-0.0 33,-0.2 137,-0.0 0.268 129.0 25.9 -78.0 16.7 -50.0 -22.2 13.8 15 7 L F T X>>S+ 0 0 8 -3,-0.8 5,-2.2 32,-0.1 3,-0.9 0.251 127.0 26.5-137.5 -92.3 -53.2 -22.8 15.9 16 8 L E G >45S+ 0 0 19 1,-0.3 3,-1.1 3,-0.2 -2,-0.1 0.851 124.9 48.0 -48.9 -46.7 -55.4 -19.8 16.9 17 9 L K G 34 - 0 0 5 -2,-0.4 3,-1.7 26,-0.1 4,-0.4 -0.599 30.2-100.7 -81.5 143.6 -54.5 -28.8 19.3 23 14AL Q T > S+ 0 0 129 1,-0.3 3,-0.5 -2,-0.2 -1,-0.1 0.720 116.7 32.8 -12.6 -65.3 -54.9 -32.4 20.5 24 14BL T T >> S+ 0 0 9 1,-0.2 3,-2.6 2,-0.1 4,-0.5 0.759 87.4 99.8 -89.3 -10.0 -55.2 -31.8 24.2 25 14CL E H X> S+ 0 0 3 -3,-1.7 4,-1.3 1,-0.3 3,-0.7 0.752 73.0 66.7 -45.5 -34.2 -57.0 -28.5 24.2 26 14DL K H <> S+ 0 0 121 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.3 0.649 89.6 62.6 -71.8 -14.8 -60.4 -30.1 24.8 27 14EL E H <> S+ 0 0 49 -3,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.947 102.3 49.9 -72.3 -46.7 -59.6 -31.3 28.3 28 14FL L H < S+ 0 0 14 -4,-1.9 3,-2.2 1,-0.3 -2,-0.2 0.971 109.4 41.2 -71.1 -54.4 -64.0 -25.4 32.9 33 14KL I H 3< S+ 0 0 135 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.665 107.4 64.9 -74.3 -13.7 -67.5 -25.8 32.1 34 14LL E T 3< S+ 0 0 154 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.400 118.2 23.3 -78.9 1.7 -67.5 -28.8 34.6 35 14ML G < 0 0 30 -3,-2.2 135,-0.1 -4,-0.1 -3,-0.0 -0.556 360.0 360.0-132.9-157.6 -66.8 -26.1 37.2 36 15 L R 0 0 247 -2,-0.2 -3,-0.1 130,-0.0 -4,-0.1 0.157 360.0 360.0-169.9 360.0 -67.4 -22.3 37.5 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 1 0, 0.0 3,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.7 -42.9 -34.3 32.4 39 17 H V B 3 -A 236 0A 13 197,-1.6 197,-1.4 1,-0.3 143,-0.1 -0.554 360.0 -2.3 -79.4 131.0 -44.2 -37.5 34.0 40 18 H E T 3 S+ 0 0 135 141,-0.5 -1,-0.3 -2,-0.3 194,-0.1 0.815 97.0 143.2 47.9 37.6 -47.0 -39.0 31.8 41 19 H G < - 0 0 22 -3,-1.2 2,-0.3 159,-0.1 159,-0.2 -0.353 44.6-124.7 -84.6-178.9 -46.9 -36.1 29.2 42 20 H Q E -B 199 0B 81 157,-2.4 157,-1.6 -2,-0.1 2,-0.2 -0.821 35.0 -86.5-107.9 164.5 -47.5 -36.6 25.4 43 21 H D E -B 198 0B 88 -2,-0.3 2,-0.2 155,-0.2 155,-0.2 -0.497 56.0-121.8 -53.6 132.2 -45.2 -35.6 22.5 44 22 H A - 0 0 8 153,-1.9 2,-0.1 -2,-0.2 153,-0.1 -0.538 17.5-108.2 -84.2 145.9 -46.2 -32.0 21.8 45 23 H E > - 0 0 62 -2,-0.2 3,-1.9 1,-0.1 4,-0.2 -0.482 50.3 -88.9 -64.9 144.6 -47.4 -30.8 18.5 46 24 H V T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.228 115.4 14.1 -59.0 139.8 -44.9 -28.6 16.6 47 25 H G T 3 S+ 0 0 13 55,-0.2 -1,-0.3 2,-0.1 -33,-0.2 0.688 89.1 139.0 60.8 22.3 -45.2 -24.9 17.5 48 26 H L S < S+ 0 0 4 -3,-1.9 -2,-0.1 1,-0.3 -26,-0.1 0.875 74.6 18.5 -61.0 -49.7 -47.4 -26.0 20.5 49 27 H S > + 0 0 7 -4,-0.2 3,-1.5 1,-0.1 -1,-0.3 -0.813 68.7 179.4-125.2 92.4 -46.0 -23.6 23.2 50 28 H P T 3 S+ 0 0 3 0, 0.0 51,-0.4 0, 0.0 -1,-0.1 0.866 78.9 65.4 -63.8 -45.4 -44.2 -20.7 21.3 51 29 H W T 3 S+ 0 0 1 101,-0.2 18,-1.1 103,-0.1 2,-0.8 0.350 75.1 124.7 -38.9 -6.5 -43.2 -19.0 24.6 52 30 H Q E < +J 68 0C 4 -3,-1.5 49,-1.2 16,-0.2 50,-0.5 -0.683 33.9 171.7 -84.5 113.7 -41.1 -22.0 25.4 53 31 H V E -JK 67 100C 0 14,-2.1 14,-2.0 -2,-0.8 2,-0.5 -0.876 19.4-149.0 -99.4 141.4 -37.5 -21.0 26.1 54 32 H M E -JK 66 99C 0 45,-2.3 45,-2.4 -2,-0.3 2,-0.5 -0.950 9.3-140.1-112.5 128.6 -34.8 -23.4 27.4 55 33 H L E -JK 65 98C 0 10,-2.6 9,-3.3 -2,-0.5 10,-0.9 -0.710 22.8-175.4 -76.3 124.2 -31.9 -22.1 29.7 56 34 H F E -JK 63 97C 24 41,-3.0 41,-2.5 -2,-0.5 2,-0.3 -0.881 27.9-126.7-105.4 147.9 -28.6 -23.7 28.9 57 35 H R E > -JK 62 96C 77 5,-2.1 5,-0.9 -2,-0.3 39,-0.3 -0.759 30.0-132.0 -76.4 142.3 -25.3 -23.2 30.8 58 36 H K T 5S+ 0 0 102 37,-2.1 3,-0.1 -2,-0.3 -1,-0.1 0.972 80.0 37.0 -71.1 -55.1 -22.8 -22.1 28.1 59 36AH S T 5S+ 0 0 99 1,-0.3 -1,-0.3 36,-0.2 2,-0.1 -0.984 118.8 32.3-140.1 123.9 -19.7 -24.4 28.7 60 37 H P T 5S- 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -3,-0.2 0.659 105.6-124.6 -71.5 145.6 -20.1 -27.3 29.6 61 38 H Q T 5 + 0 0 148 -3,-0.1 2,-0.3 -2,-0.1 -3,-0.2 -0.351 47.8 152.6 -67.8 136.4 -23.3 -27.4 27.6 62 39 H E E < -J 57 0C 88 -5,-0.9 -5,-2.1 -3,-0.0 2,-0.3 -0.886 47.7-117.0-163.3 122.3 -26.2 -28.5 29.8 63 40 H L E +J 56 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.565 36.7 172.7 -58.6 125.5 -30.1 -27.9 29.8 64 41 H L E - 0 0 24 -9,-3.3 2,-0.3 1,-0.4 -8,-0.2 0.834 50.2 -30.7-102.3 -60.4 -30.7 -26.1 33.0 65 42 H b E -J 55 0C 8 -10,-0.9 -10,-2.6 176,-0.1 -1,-0.4 -0.895 54.0-108.7-151.1 169.4 -34.4 -25.0 33.1 66 43 H G E +J 54 0C 2 176,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.537 34.8 178.7 -92.0 175.8 -37.3 -24.0 31.0 67 44 H A E -J 53 0C 0 -14,-2.0 -14,-2.1 -2,-0.2 2,-0.4 -0.954 24.0-108.9-158.6 176.2 -38.7 -20.5 30.8 68 45 H S E -JL 52 76C 0 8,-1.6 8,-2.1 -2,-0.3 2,-0.9 -0.924 17.4-130.7-115.2 146.8 -41.4 -18.4 29.0 69 46 H L E + L 0 75C 0 -18,-1.1 86,-1.8 -2,-0.4 6,-0.2 -0.801 33.6 167.1 -87.4 104.3 -41.1 -15.8 26.3 70 47 H I E - 0 0 7 4,-2.5 2,-0.3 -2,-0.9 -1,-0.2 0.759 68.6 -4.7 -92.3 -21.9 -43.2 -12.9 27.7 71 48 H S E > S- L 0 74C 1 3,-0.9 3,-0.5 -65,-0.1 -1,-0.2 -0.880 91.3 -82.2-154.1 173.0 -42.0 -10.2 25.3 72 49 H D T 3 S+ 0 0 23 -2,-0.3 74,-2.6 1,-0.2 3,-0.1 0.344 129.3 22.1 -72.2 9.8 -39.4 -10.0 22.5 73 50 H R T 3 S+ 0 0 76 72,-0.2 69,-2.3 1,-0.2 2,-0.5 0.387 107.1 79.4-152.1 10.5 -36.7 -9.4 25.3 74 51 H W E < -LM 71 141C 12 -3,-0.5 -4,-2.5 67,-0.2 -3,-0.9 -0.951 49.5-173.0-133.2 114.2 -38.0 -10.7 28.6 75 52 H V E -LM 69 140C 0 65,-2.1 65,-2.7 -2,-0.5 2,-0.3 -0.896 14.6-146.3-110.6 128.5 -38.0 -14.3 29.6 76 53 H L E +LM 68 139C 0 -8,-2.1 -8,-1.6 -2,-0.5 2,-0.3 -0.660 29.3 155.9 -88.7 146.3 -39.7 -15.4 32.8 77 54 H T E - M 0 138C 0 61,-2.2 61,-2.0 -2,-0.3 2,-0.2 -0.952 46.4 -83.0-157.4-179.2 -38.2 -18.3 34.9 78 55 H A > - 0 0 0 -12,-0.4 3,-1.0 -2,-0.3 4,-0.3 -0.639 36.0-123.8 -89.9 157.0 -38.1 -19.6 38.5 79 56 H A G >> S+ 0 0 0 -2,-0.2 3,-2.0 1,-0.2 4,-1.8 0.928 104.7 67.0 -63.9 -37.2 -35.6 -17.9 40.9 80 57 H H G 34 S+ 0 0 5 1,-0.3 -1,-0.2 2,-0.2 9,-0.0 0.498 83.6 68.8 -66.7 -11.5 -34.1 -21.3 41.7 81 58 H b G <4 S+ 0 0 1 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.1 0.745 116.3 29.1 -69.2 -23.2 -32.6 -22.0 38.2 82 59 H L T <4 S+ 0 0 2 -3,-2.0 9,-2.2 -4,-0.3 2,-0.5 0.841 126.4 30.9-103.3 -48.5 -30.3 -19.2 39.1 83 60 H L E < +P 90 0D 39 -4,-1.8 7,-0.2 7,-0.2 -1,-0.2 -0.919 52.0 135.5-134.4 105.9 -29.8 -19.1 42.9 84 60AH Y E > > -P 89 0D 29 5,-2.7 5,-1.8 -2,-0.5 3,-1.7 -0.690 28.6-168.1-143.2 91.2 -29.9 -21.9 45.3 85 60BH P G > 5S+ 0 0 44 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.825 77.7 66.0 -58.3 -42.2 -26.9 -21.4 47.7 86 60CH P G 3 5S+ 0 0 76 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.747 109.2 40.1 -45.4 -33.3 -27.1 -25.0 49.4 87 60DH W G < 5S- 0 0 132 -3,-1.7 3,-0.1 2,-0.2 -3,-0.1 -0.148 119.4-114.4-108.9 36.5 -26.2 -26.6 46.1 88 60EH D T < 5 + 0 0 150 -3,-2.2 2,-0.7 1,-0.2 -5,-0.0 0.635 65.1 152.6 39.8 25.4 -23.7 -23.8 45.4 89 60FH K E < +P 84 0D 35 -5,-1.8 -5,-2.7 2,-0.1 2,-0.2 -0.729 2.7 142.6 -88.5 118.3 -25.8 -22.7 42.5 90 60GH N E -P 83 0D 109 -2,-0.7 2,-0.8 -7,-0.2 -7,-0.2 -0.786 33.7-158.4-154.6 95.1 -25.4 -19.0 41.9 91 60HH F - 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