==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (SERINE PROTEASE/COAGULATION) 30-AUG-96 1UCY . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.MARTIN,B.EDWARDS . 920 13 12 9 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 234 25.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 0.1 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 . 75 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 3 4 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 15 0 12 10 5 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 . 3 0 0 0 0 3 0 0 3 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 67 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -66.7 -22.0 28.5 29.5 2 1GL F - 0 0 181 1,-0.1 2,-1.5 3,-0.1 157,-0.0 -0.117 360.0 -57.4 -46.7 95.4 -23.0 32.1 30.2 3 1FL G S S+ 0 0 11 -2,-0.3 2,-0.5 154,-0.1 -1,-0.1 -0.493 126.7 42.6 69.7 -88.5 -22.1 32.7 33.9 4 1EL A + 0 0 31 -2,-1.5 -2,-0.0 1,-0.2 152,-0.0 -0.793 47.9 174.6 -99.3 126.5 -24.1 30.0 35.6 5 1DL G S S+ 0 0 70 -2,-0.5 -1,-0.2 -4,-0.1 -3,-0.1 0.856 97.1 21.5 -89.0 -42.7 -24.2 26.5 34.3 6 1CL E S S- 0 0 81 148,-0.1 -2,-0.1 149,-0.0 150,-0.0 0.533 95.1-135.3 -99.7 -12.9 -26.1 25.2 37.4 7 1BL A S S+ 0 0 66 1,-0.2 -3,-0.1 2,-0.1 149,-0.0 0.225 104.1 56.5 76.7 -18.0 -27.5 28.6 38.5 8 1AL D S > S+ 0 0 51 147,-0.1 3,-1.4 248,-0.0 -1,-0.2 0.561 82.5 117.2-113.4 -21.2 -26.4 27.6 42.0 9 1 L a T 3 S+ 0 0 3 1,-0.2 146,-0.3 146,-0.1 3,-0.1 -0.073 76.1 14.5 -54.9 145.5 -22.8 26.9 41.2 10 2 L G T 3 S+ 0 0 0 144,-2.2 247,-1.0 1,-0.2 2,-0.8 0.541 94.9 114.8 68.9 3.8 -20.0 28.9 42.7 11 3 L L < - 0 0 39 -3,-1.4 -1,-0.2 143,-0.3 245,-0.1 -0.921 62.7-144.9-108.9 97.6 -22.4 30.2 45.3 12 4 L R > > - 0 0 0 -2,-0.8 5,-2.2 1,-0.1 3,-1.6 -0.541 6.7-141.0 -69.4 123.2 -21.1 28.7 48.6 13 5 L P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.861 103.2 45.1 -48.8 -42.3 -23.9 27.8 51.1 14 6 L L T 3 5S+ 0 0 30 136,-0.4 34,-0.1 33,-0.3 136,-0.0 0.570 129.8 15.7 -83.8 -7.8 -21.8 29.1 54.0 15 7 L F T X >S+ 0 0 10 -3,-1.6 5,-2.2 32,-0.1 3,-1.7 0.505 127.7 28.7-127.6 -87.6 -20.6 32.3 52.3 16 8 L E T 3 5S+ 0 0 29 1,-0.3 3,-0.4 3,-0.2 -2,-0.1 0.785 125.4 49.1 -50.6 -34.0 -22.3 33.9 49.2 17 9 L K T 3 - 0 0 3 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 -0.397 34.1 -98.8 -83.2 159.8 -14.2 34.4 53.8 23 14AL Q T 3 S+ 0 0 134 1,-0.2 3,-0.1 2,-0.1 -1,-0.1 0.755 116.0 23.7 -46.1 -37.9 -11.0 35.7 55.5 24 14BL T T >> S+ 0 0 20 1,-0.1 3,-1.7 2,-0.1 4,-0.8 0.323 84.7 105.8-118.9 11.0 -8.9 36.3 52.4 25 14CL E H <> S+ 0 0 16 -3,-1.1 4,-1.6 1,-0.3 3,-0.2 0.778 76.5 67.0 -57.9 -27.6 -11.5 36.8 49.7 26 14DL K H 3> S+ 0 0 140 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.805 88.8 62.8 -65.2 -30.4 -10.5 40.5 49.9 27 14EL E H <> S+ 0 0 43 -3,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.899 106.0 46.9 -62.8 -39.6 -7.1 39.7 48.5 28 14FL L H < S+ 0 0 2 -4,-0.8 144,-0.4 -3,-0.2 4,-0.2 0.890 112.3 47.4 -68.7 -45.4 -8.8 38.6 45.3 29 14GL F H >X S+ 0 0 137 -4,-1.6 3,-1.5 1,-0.2 4,-0.8 0.887 108.3 56.3 -63.1 -44.9 -11.1 41.6 45.1 30 14HL E H 3< S+ 0 0 147 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 100.3 56.8 -56.6 -41.0 -8.3 44.0 45.7 31 14IL S T 3< S+ 0 0 28 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.589 106.5 65.8 -69.9 -3.3 -6.2 42.7 42.8 32 14JL Y T X4 + 0 0 8 -3,-1.5 3,-2.0 -4,-0.2 2,-0.7 0.976 43.6 114.0 -82.6 -91.2 -9.3 43.5 40.7 33 14KL I T 3< S- 0 0 132 -4,-0.8 -1,-0.1 1,-0.3 -2,-0.1 -0.271 106.3 -63.1 50.0 -95.7 -10.7 47.0 40.0 34 14LL E T 3 S+ 0 0 143 -2,-0.7 -1,-0.3 -3,-0.1 -2,-0.1 0.019 92.6 137.0-167.8 20.9 -10.0 47.1 36.2 35 14ML G < 0 0 64 -3,-2.0 -2,-0.1 -4,-0.1 -3,-0.1 0.306 360.0 360.0 -65.3 7.0 -6.2 46.9 36.5 36 15 L R 0 0 153 -4,-0.2 132,-0.1 129,-0.1 134,-0.1 -0.914 360.0 360.0-177.7 360.0 -5.8 44.4 33.7 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 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 139.0 0.4 24.0 49.2 39 17 H V B +A 237 0A 14 198,-3.5 198,-2.0 1,-0.2 143,-0.1 -0.913 360.0 3.5-108.1 125.7 3.4 26.3 50.1 40 18 H E S S+ 0 0 126 -2,-0.5 -1,-0.2 141,-0.3 2,-0.1 0.761 99.6 128.6 72.5 30.0 2.8 29.5 52.1 41 19 H G - 0 0 25 -3,-0.3 2,-0.3 160,-0.1 160,-0.2 -0.314 48.7-132.6-101.7-173.9 -0.9 28.8 52.5 42 20 H Q E -B 200 0B 100 158,-1.6 158,-2.1 -2,-0.1 2,-0.1 -0.887 35.5 -75.8-137.0 167.1 -3.0 28.8 55.6 43 21 H D E -B 199 0B 98 -2,-0.3 156,-0.2 156,-0.2 2,-0.2 -0.442 54.4-122.2 -63.1 133.1 -5.7 26.5 57.1 44 22 H A - 0 0 8 154,-2.6 154,-0.1 -2,-0.1 -1,-0.1 -0.521 19.7-111.7 -80.2 145.3 -8.9 26.9 55.3 45 23 H E > - 0 0 53 -2,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.435 51.9 -90.7 -64.3 151.5 -12.1 28.0 57.0 46 24 H V T 3 S+ 0 0 79 1,-0.2 -1,-0.1 2,-0.1 57,-0.1 -0.407 113.9 17.6 -67.4 145.1 -14.5 25.0 57.0 47 25 H G T 3 S+ 0 0 11 2,-0.1 -33,-0.3 55,-0.1 -1,-0.2 0.463 87.3 127.7 73.8 2.9 -16.8 25.0 54.0 48 26 H L S < S+ 0 0 6 -3,-1.6 -2,-0.1 1,-0.3 -1,-0.1 0.780 80.6 25.3 -57.0 -38.3 -14.4 27.4 52.2 49 27 H S > + 0 0 15 -4,-0.2 3,-2.4 1,-0.1 -1,-0.3 -0.628 68.3 173.2-133.7 73.9 -14.1 25.3 49.1 50 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.0 0, 0.0 51,-0.2 0.637 79.3 60.6 -60.2 -12.3 -17.3 23.1 48.9 51 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.4 103,-0.1 2,-0.4 0.532 75.5 120.7 -93.2 -5.7 -16.1 21.8 45.5 52 30 H Q E < -K 68 0C 5 -3,-2.4 49,-0.7 16,-0.2 50,-0.4 -0.424 42.9-171.7 -67.0 119.2 -12.9 20.3 46.8 53 31 H V E -KL 67 100C 0 14,-2.6 14,-1.1 -2,-0.4 2,-0.6 -0.829 16.2-140.9-112.9 146.8 -12.7 16.6 46.2 54 32 H M E -KL 66 99C 0 45,-2.9 45,-2.8 -2,-0.3 2,-0.6 -0.930 7.8-151.3-111.9 117.9 -10.2 14.1 47.4 55 33 H L E +KL 65 98C 0 10,-2.4 9,-2.9 -2,-0.6 10,-1.4 -0.780 28.0 175.7 -84.7 121.3 -9.0 11.4 45.0 56 34 H F E -KL 63 97C 37 41,-2.5 41,-3.2 -2,-0.6 2,-0.4 -0.907 26.8-123.3-131.2 153.9 -8.1 8.4 47.2 57 35 H R E > -KL 62 96C 62 5,-2.2 5,-0.7 -2,-0.3 39,-0.3 -0.796 6.3-146.5-100.5 135.6 -6.9 4.9 46.5 58 36 H K T 5S+ 0 0 73 37,-3.1 -1,-0.1 -2,-0.4 3,-0.1 0.979 82.0 50.2 -62.5 -53.1 -8.7 1.8 47.8 59 36AH S T 5S+ 0 0 85 36,-0.3 -1,-0.2 1,-0.3 2,-0.2 -0.974 120.7 13.5-149.8 124.8 -5.5 -0.3 48.2 60 37 H P T 5S- 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.684 104.0-120.5 -72.5 157.4 -3.1 0.5 49.5 61 38 H Q T 5 + 0 0 145 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.546 54.5 128.6 -71.5 124.3 -5.0 3.5 51.1 62 39 H E E < -K 57 0C 69 -5,-0.7 -5,-2.2 -2,-0.3 2,-0.3 -0.967 61.7 -90.3-172.1 156.5 -3.6 6.9 50.3 63 40 H L E +K 56 0C 29 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.572 38.8 173.5 -70.6 123.9 -4.2 10.4 49.0 64 41 H L E - 0 0 4 -9,-2.9 2,-0.3 1,-0.4 -8,-0.2 0.796 53.0 -44.9-101.7 -43.2 -3.7 10.4 45.2 65 42 H b E -K 55 0C 1 -10,-1.4 -10,-2.4 177,-0.1 -1,-0.4 -0.975 52.5 -89.4-170.7-177.9 -4.7 13.9 44.2 66 43 H G E +K 54 0C 5 177,-3.9 12,-0.4 -2,-0.3 2,-0.3 -0.554 39.4 170.3-102.7 170.6 -7.1 16.8 44.4 67 44 H A E -K 53 0C 0 -14,-1.1 -14,-2.6 -2,-0.2 2,-0.4 -0.966 25.7-118.5-169.2 170.5 -10.1 17.4 42.2 68 45 H S E -KM 52 76C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.6 -0.995 14.6-132.7-131.6 136.7 -13.2 19.5 41.8 69 46 H L E + M 0 75C 0 -18,-2.4 86,-1.9 -2,-0.4 6,-0.2 -0.745 25.0 176.2 -81.3 116.9 -16.9 18.7 41.9 70 47 H I S S- 0 0 21 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.260 70.2 -12.1-106.4 8.8 -18.3 20.5 38.9 71 48 H S S S- 0 0 28 3,-0.6 -1,-0.3 -20,-0.1 75,-0.1 -0.898 89.7 -76.6 174.6 177.5 -21.8 19.0 39.4 72 49 H D S S+ 0 0 50 -2,-0.3 74,-3.2 1,-0.2 72,-0.1 0.572 128.8 25.3 -73.9 -6.8 -23.5 16.3 41.5 73 50 H R S S+ 0 0 99 72,-0.2 69,-2.9 1,-0.1 2,-0.5 0.590 109.2 73.7-128.5 -20.0 -22.2 13.6 39.2 74 51 H W E - N 0 141C 16 67,-0.2 -4,-2.5 65,-0.0 -3,-0.6 -0.893 51.0-171.7-110.7 131.8 -19.0 14.9 37.5 75 52 H V E -MN 69 140C 0 65,-2.8 65,-3.4 -2,-0.5 2,-0.4 -0.918 11.5-149.7-118.2 136.6 -15.6 15.5 39.0 76 53 H L E +MN 68 139C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.3 -0.862 29.8 143.1-107.2 141.0 -12.7 17.3 37.2 77 54 H T E - N 0 138C 0 61,-2.4 61,-2.5 -2,-0.4 2,-0.3 -0.902 50.8 -69.1-159.8-179.2 -9.0 16.4 37.8 78 55 H A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.3 4,-0.4 -0.676 32.5-134.3 -83.0 140.0 -5.6 16.2 36.1 79 56 H A G >> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.3 3,-1.5 0.867 106.1 61.4 -62.1 -31.8 -5.0 13.3 33.6 80 57 H H G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 163,-0.0 0.703 87.9 71.0 -71.4 -14.8 -1.7 12.6 35.2 81 58 H b G <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.789 118.7 19.1 -68.4 -21.5 -3.4 11.9 38.5 82 59 H L T <4 S+ 0 0 0 -3,-1.5 9,-2.2 -4,-0.4 2,-0.5 0.684 131.4 39.2-115.8 -35.5 -4.6 8.7 36.8 83 60 H L E < +Q 90 0D 40 -4,-3.1 -1,-0.3 7,-0.2 7,-0.2 -0.929 56.3 134.7-131.0 110.1 -2.3 8.1 33.9 84 60AH Y E > > -Q 89 0D 2 5,-2.8 3,-2.6 -2,-0.5 5,-1.2 -0.509 24.2-173.7-151.9 79.8 1.4 8.8 34.0 85 60BH P G > 5S+ 0 0 54 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.760 79.9 70.7 -45.9 -36.6 3.4 6.0 32.4 86 60CH P G 3 5S+ 0 0 47 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.808 109.9 33.9 -54.8 -28.5 6.7 7.6 33.5 87 60DH W G < 5S- 0 0 85 -3,-2.6 0, 0.0 2,-0.1 0, 0.0 0.147 120.8-108.0-111.0 16.8 5.9 6.6 37.0 88 60EH D T < 5 + 0 0 153 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.872 67.3 154.8 57.3 47.3 4.1 3.4 36.0 89 60FH K E < +Q 84 0D 24 -5,-1.2 -5,-2.8 2,-0.0 -1,-0.2 -0.891 12.0 142.6-114.2 116.0 0.7 4.9 36.9 90 60GH N E -Q 83 0D 114 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.554 23.7-175.7-148.7 73.6 -2.5 3.7 35.2 91 60HH F - 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