==== 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 1ETR . 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) . 13510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 61.8 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 . 78 26.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.2 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 . 5 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 0 0 1 1 1 1 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 . 5 3 2 3 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 33 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 151.6 -43.4 -7.2 28.7 2 1GL F - 0 0 140 68,-0.2 155,-1.0 4,-0.0 4,-0.3 -0.945 360.0-120.0-145.3 150.5 -47.0 -6.2 29.5 3 1FL G B S+a 157 0A 28 -2,-0.3 2,-2.4 2,-0.2 156,-0.1 -0.524 94.6 16.2 -76.0 160.7 -49.5 -7.8 31.9 4 1EL A S S- 0 0 36 153,-1.8 155,-0.2 -2,-0.2 -1,-0.1 -0.179 134.0 -12.9 69.8 -46.5 -52.8 -9.0 30.4 5 1DL G - 0 0 23 -2,-2.4 2,-2.0 153,-0.1 -2,-0.2 -0.360 37.8-153.1 176.4 112.8 -51.5 -9.0 26.7 6 1CL E > - 0 0 46 -4,-0.3 3,-1.8 1,-0.1 2,-1.2 -0.648 68.7 -96.7 -74.0 78.7 -48.6 -7.7 24.7 7 1BL A T 3 S+ 0 0 66 -2,-2.0 -1,-0.1 1,-0.3 -3,-0.0 -0.061 117.9 25.1 42.7 -74.1 -51.1 -7.7 21.7 8 1AL D T > S+ 0 0 83 -2,-1.2 3,-2.0 2,-0.0 -1,-0.3 0.400 92.4 133.6 -93.8 -0.3 -50.1 -11.1 20.1 9 1 L a T < S+ 0 0 1 -3,-1.8 146,-0.3 1,-0.3 3,-0.1 -0.219 74.3 11.9 -66.4 140.0 -48.8 -12.7 23.4 10 2 L G T 3 S+ 0 0 0 144,-2.5 246,-1.2 1,-0.2 2,-0.7 0.587 100.9 110.6 67.8 6.5 -49.9 -16.2 24.2 11 3 L L < - 0 0 35 -3,-2.0 -1,-0.2 143,-0.3 244,-0.1 -0.940 66.5-146.9-105.0 101.2 -51.3 -16.3 20.6 12 4 L R > > - 0 0 0 -2,-0.7 3,-1.8 1,-0.1 5,-1.4 -0.520 9.2-134.5 -68.0 125.1 -48.9 -18.9 19.0 13 5 L P T 3 5S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.827 105.0 43.8 -47.7 -36.3 -48.1 -18.2 15.2 14 6 L L T 3 5S+ 0 0 32 136,-0.4 34,-0.1 33,-0.3 32,-0.0 0.538 126.2 23.3 -87.2 -10.1 -48.6 -21.9 14.4 15 7 L F T X >S+ 0 0 14 -3,-1.8 5,-2.5 32,-0.1 3,-0.9 0.551 126.5 23.1-122.3 -81.4 -51.8 -22.6 16.4 16 8 L E G > 5S+ 0 0 12 1,-0.3 3,-2.6 3,-0.2 -5,-0.1 0.938 123.2 53.3 -63.5 -46.0 -54.2 -19.8 17.4 17 9 L K G 3 - 0 0 5 -2,-0.4 3,-1.8 1,-0.1 4,-0.4 -0.556 31.8-100.3 -79.9 154.2 -53.0 -28.5 19.6 23 14AL Q T 3 S+ 0 0 139 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.516 116.1 33.1 -45.0 -22.4 -53.3 -32.1 20.4 24 14BL T T >> S+ 0 0 14 2,-0.1 3,-1.0 1,-0.1 4,-0.5 0.454 82.0 100.1-121.6 7.3 -53.9 -31.6 24.2 25 14CL E H X> S+ 0 0 1 -3,-1.8 3,-1.9 1,-0.2 4,-1.8 0.870 77.3 63.7 -61.4 -34.7 -55.9 -28.4 24.7 26 14DL K H 3> S+ 0 0 134 -4,-0.4 4,-3.3 1,-0.3 -1,-0.2 0.822 91.3 64.7 -63.4 -26.9 -59.3 -30.1 25.1 27 14EL E H <> S+ 0 0 48 -3,-1.0 4,-1.0 2,-0.2 -1,-0.3 0.788 107.4 44.0 -58.6 -28.0 -58.0 -31.8 28.2 28 14FL L H X S+ 0 0 53 -4,-1.8 4,-1.9 2,-0.2 3,-0.6 0.963 110.2 55.7 -55.8 -48.0 -61.1 -27.0 28.4 30 14HL E H 3< S+ 0 0 105 -4,-3.3 4,-0.5 1,-0.2 -2,-0.2 0.882 106.6 49.5 -37.5 -50.4 -62.5 -30.3 29.9 31 14IL S H 3< S+ 0 0 2 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.787 106.2 58.2 -70.4 -27.0 -61.0 -29.4 33.2 32 14JL Y H X< S+ 0 0 18 -4,-1.6 3,-1.7 -3,-0.6 -2,-0.2 0.965 108.7 41.6 -65.0 -53.1 -62.6 -25.9 32.9 33 14KL I T 3< S+ 0 0 156 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.350 103.2 68.8 -85.6 5.5 -66.2 -27.2 32.6 34 14LL E T 3 S+ 0 0 150 -4,-0.5 -1,-0.3 -5,-0.3 2,-0.2 0.338 119.5 5.3 -83.5 4.0 -65.4 -29.8 35.3 35 14ML G < 0 0 34 -3,-1.7 135,-0.1 -5,-0.1 -3,-0.0 -0.756 360.0 360.0-155.3-161.4 -65.3 -26.7 37.6 36 15 L R 0 0 239 -2,-0.2 -1,-0.1 -3,-0.0 -3,-0.1 0.187 360.0 360.0-163.3 360.0 -65.8 -22.9 37.8 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,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.6 -41.2 -34.1 32.4 39 17 H V B +B 236 0B 15 197,-3.1 197,-1.2 1,-0.2 143,-0.1 -0.785 360.0 2.2-102.1 141.6 -42.4 -37.5 33.8 40 18 H E S S+ 0 0 135 141,-0.4 -1,-0.2 -2,-0.4 194,-0.2 0.680 103.1 127.3 53.6 23.7 -45.3 -39.2 32.0 41 19 H G - 0 0 25 -3,-0.4 2,-0.3 195,-0.1 159,-0.2 -0.047 49.8-133.0 -92.9-164.8 -45.4 -36.5 29.4 42 20 H Q E -C 199 0C 92 157,-1.7 157,-2.6 -3,-0.1 2,-0.2 -0.921 33.5 -74.7-148.2 163.4 -45.3 -36.8 25.6 43 21 H D E -C 198 0C 89 -2,-0.3 155,-0.3 155,-0.2 154,-0.1 -0.512 52.3-124.9 -70.5 139.7 -43.4 -35.1 22.7 44 22 H A - 0 0 7 153,-4.1 2,-0.1 -2,-0.2 153,-0.1 -0.378 19.0-111.5 -85.3 147.0 -44.7 -31.6 21.9 45 23 H E > - 0 0 59 1,-0.1 3,-1.6 -2,-0.1 4,-0.2 -0.434 48.4 -88.2 -65.4 161.9 -45.9 -30.5 18.5 46 24 H V T 3 S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.1 57,-0.1 -0.421 114.3 21.5 -79.1 138.6 -43.7 -28.0 16.9 47 25 H G T 3 S+ 0 0 12 -2,-0.1 -33,-0.3 2,-0.1 -1,-0.3 0.611 87.9 131.0 79.6 11.8 -44.4 -24.3 17.7 48 26 H L S < S+ 0 0 5 -3,-1.6 -2,-0.1 1,-0.3 -36,-0.1 0.894 79.2 14.3 -66.9 -56.0 -46.2 -25.5 20.9 49 27 H S S > S+ 0 0 10 -4,-0.2 3,-1.7 102,-0.1 -1,-0.3 -0.845 71.1 178.5-110.1 91.0 -44.6 -23.2 23.6 50 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.587 80.1 61.9 -68.4 0.8 -43.0 -20.5 21.3 51 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.0 103,-0.1 2,-0.3 0.249 73.0 124.8-103.7 5.1 -41.9 -18.9 24.6 52 30 H Q E < -K 68 0D 10 -3,-1.7 49,-0.8 16,-0.2 2,-0.3 -0.595 39.0-173.4 -78.9 134.2 -39.8 -21.8 25.8 53 31 H V E -KL 67 100D 0 14,-2.6 14,-1.9 -2,-0.3 2,-0.5 -0.979 16.0-141.2-126.4 132.7 -36.2 -20.7 26.6 54 32 H M E -KL 66 99D 2 45,-2.7 45,-2.3 -2,-0.3 2,-0.8 -0.881 9.6-147.4 -96.6 130.4 -33.2 -23.1 27.5 55 33 H L E +KL 65 98D 0 10,-2.9 9,-3.1 -2,-0.5 10,-1.7 -0.885 28.4 179.6 -98.8 105.8 -30.8 -21.9 30.1 56 34 H F E -KL 63 97D 13 41,-2.0 41,-2.5 -2,-0.8 2,-0.3 -0.843 31.4-120.6-107.9 146.2 -27.4 -23.3 29.2 57 35 H R E > -KL 62 96D 75 5,-3.1 5,-0.7 -2,-0.3 39,-0.3 -0.614 24.5-139.8 -74.4 148.0 -24.0 -23.1 30.7 58 36 H K T 5S+ 0 0 86 37,-2.4 3,-0.2 1,-0.3 -1,-0.1 0.985 77.1 43.1 -85.8 -62.3 -21.6 -21.6 28.3 59 36AH S T 5S+ 0 0 101 1,-0.3 -1,-0.3 36,-0.2 2,-0.1 -0.982 123.0 18.0-132.1 129.4 -18.5 -23.7 28.8 60 37 H P T 5S- 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.651 106.9-119.8 -82.7 154.3 -18.5 -26.6 29.1 61 38 H Q T 5 + 0 0 145 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.2 -0.287 48.9 146.2 -72.3 132.3 -22.0 -26.7 27.6 62 39 H E E < -K 57 0D 93 -5,-0.7 -5,-3.1 -2,-0.0 2,-0.5 -0.964 49.0-112.1-150.3 148.6 -24.9 -28.1 29.7 63 40 H L E +K 56 0D 45 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.659 35.2 171.0 -71.8 123.3 -28.6 -27.5 30.1 64 41 H L E - 0 0 21 -9,-3.1 176,-0.3 -2,-0.5 2,-0.3 0.832 55.9 -24.0-100.1 -48.9 -29.1 -26.1 33.5 65 42 H b E -K 55 0D 3 -10,-1.7 -10,-2.9 176,-0.1 -1,-0.3 -0.894 55.8-105.1-155.2 177.3 -32.9 -25.0 33.5 66 43 H G E +K 54 0D 5 176,-2.7 12,-0.5 -2,-0.3 2,-0.3 -0.722 34.6 170.3-104.5 165.8 -35.8 -23.9 31.5 67 44 H A E -KM 53 77D 0 -14,-1.9 -14,-2.6 -2,-0.3 2,-0.3 -0.923 23.6-121.1-159.0 176.2 -37.1 -20.4 31.3 68 45 H S E -KM 52 76D 0 8,-2.5 8,-2.0 -2,-0.3 2,-0.7 -0.912 16.2-120.0-127.7 160.1 -39.7 -18.4 29.2 69 46 H L E + M 0 75D 0 -18,-2.0 86,-1.6 -2,-0.3 6,-0.2 -0.833 27.8 172.9 -97.5 114.9 -39.7 -15.4 26.8 70 47 H I E S- 0 0 1 4,-2.2 2,-0.2 -2,-0.7 -68,-0.2 0.147 72.3 -14.0-105.9 14.3 -42.0 -12.7 28.1 71 48 H S E > S- M 0 74D 6 3,-0.6 3,-0.6 -70,-0.1 -1,-0.3 -0.838 87.8 -78.0 171.8 174.9 -40.9 -10.1 25.4 72 49 H D T 3 S+ 0 0 44 -2,-0.2 74,-2.0 1,-0.2 3,-0.1 0.474 129.9 34.3 -72.7 -0.8 -38.1 -9.8 22.9 73 50 H R T 3 S+ 0 0 97 72,-0.2 69,-3.1 1,-0.1 2,-0.4 0.520 107.5 69.0-115.3 -13.5 -35.8 -8.7 25.7 74 51 H W E < -MN 71 141D 17 -3,-0.6 -4,-2.2 67,-0.2 -3,-0.6 -0.906 46.1-172.0-134.7 138.2 -36.8 -10.6 28.8 75 52 H V E -MN 69 140D 0 65,-2.0 65,-2.6 -2,-0.4 2,-0.4 -0.978 11.0-154.7-125.5 131.6 -36.7 -14.0 30.1 76 53 H L E +MN 68 139D 0 -8,-2.0 -8,-2.5 -2,-0.5 2,-0.2 -0.868 29.9 147.5 -98.8 141.0 -38.3 -15.2 33.3 77 54 H T E -MN 67 138D 0 61,-2.7 61,-1.9 -2,-0.4 2,-0.3 -0.868 51.1 -70.7-150.6-173.1 -36.8 -18.3 35.0 78 55 H A > - 0 0 0 -12,-0.5 3,-0.7 -2,-0.2 59,-0.2 -0.649 30.1-133.9 -90.0 151.4 -36.4 -19.6 38.6 79 56 H A G >> S+ 0 0 0 -2,-0.3 3,-2.4 1,-0.2 4,-2.1 0.878 104.4 65.2 -65.3 -37.1 -34.0 -18.0 41.0 80 57 H H G 34 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.2 183,-0.0 0.800 90.8 69.1 -61.8 -23.3 -32.6 -21.4 42.2 81 58 H b G <4 S+ 0 0 0 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.2 0.668 114.1 22.8 -62.0 -22.8 -31.3 -21.7 38.6 82 59 H L T <4 S+ 0 0 0 -3,-2.4 9,-1.9 1,-0.3 2,-0.7 0.798 129.4 33.0-114.1 -54.5 -28.8 -19.0 39.2 83 60 H L E < +Q 90 0E 40 -4,-2.1 -1,-0.3 7,-0.2 7,-0.2 -0.872 53.4 149.0-115.3 98.4 -28.1 -18.7 42.8 84 60AH Y E > > -Q 89 0E 33 5,-1.0 3,-1.6 -2,-0.7 5,-1.3 -0.781 20.4-174.1-118.5 97.6 -28.3 -21.8 45.1 85 60BH P G > 5S+ 0 0 41 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.836 77.3 65.9 -57.7 -41.2 -25.7 -21.1 47.9 86 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.772 113.6 37.3 -44.8 -28.2 -25.9 -24.6 49.7 87 60DH W G < 5S- 0 0 165 -3,-1.6 3,-0.1 2,-0.2 -3,-0.1 0.050 116.0-113.8-112.8 23.4 -24.4 -25.8 46.4 88 60EH D T < 5 + 0 0 153 -3,-2.5 2,-0.2 1,-0.2 0, 0.0 0.391 64.0 152.9 53.6 -3.0 -22.1 -22.9 45.7 89 60FH K E < +Q 84 0E 50 -5,-1.3 -5,-1.0 1,-0.1 -1,-0.2 -0.375 2.4 144.4 -60.4 116.8 -24.2 -22.0 42.6 90 60GH N E -Q 83 0E 107 -7,-0.2 2,-0.2 -2,-0.2 -7,-0.2 -0.529 28.1-170.9-157.3 73.7 -23.8 -18.3 41.9 91 60HH F - 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