==== 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 BLOOD CLOTTING/HYDROLASE INHIBITOR 16-MAR-06 2GDE . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 59.1 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 . 76 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 0 0.0 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 8.4 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 2 1 0 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 . 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 . 3 5 1 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 1BL A 0 0 123 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.4 14.9 20.3 19.0 2 1AL D > + 0 0 80 144,-0.1 3,-1.0 3,-0.0 145,-0.1 0.047 360.0 145.5 -99.8 22.4 11.4 19.6 17.9 3 1 L a T 3 + 0 0 25 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.207 54.8 15.2 -66.8 150.2 11.9 16.0 19.0 4 2 L G T 3 S+ 0 0 0 141,-2.5 237,-1.0 236,-0.2 2,-0.7 0.484 88.9 116.6 76.6 3.5 9.2 13.7 20.5 5 3 L L < - 0 0 31 -3,-1.0 -1,-0.2 140,-0.3 235,-0.1 -0.925 60.0-142.0-104.8 110.5 6.3 15.9 19.4 6 4 L R > > - 0 0 0 -2,-0.7 5,-2.3 1,-0.1 3,-1.3 -0.542 5.9-141.2 -78.0 127.3 4.1 13.9 17.0 7 5 L P T 3 5S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.896 104.5 42.8 -49.1 -38.9 2.6 15.9 14.0 8 6 L L T 3 5S+ 0 0 29 133,-0.5 31,-0.1 30,-0.3 -2,-0.1 0.543 129.9 20.0 -90.5 -4.5 -0.6 13.9 14.3 9 7 L F T X>>S+ 0 0 12 -3,-1.3 5,-2.3 29,-0.2 3,-1.2 0.484 128.1 22.6-124.2 -91.1 -0.8 14.0 18.1 10 8 L E G >45S+ 0 0 28 1,-0.3 3,-0.9 3,-0.2 -5,-0.1 0.865 122.3 55.3 -50.1 -44.1 1.0 16.5 20.4 11 9 L K G 34> S+ 0 0 50 2,-0.1 3,-1.3 1,-0.1 4,-0.7 0.496 85.2 98.4-130.4 0.8 -3.4 4.5 25.2 19 14CL E H >> S+ 0 0 12 -3,-0.4 4,-1.5 1,-0.3 3,-0.9 0.832 80.4 67.4 -60.5 -28.4 -0.9 7.2 26.1 20 14DL R H 3> S+ 0 0 129 -4,-0.5 4,-2.6 1,-0.3 -1,-0.3 0.849 90.9 62.0 -58.0 -38.9 -3.1 8.0 29.1 21 14EL E H <> S+ 0 0 39 -3,-1.3 4,-1.7 1,-0.2 -1,-0.3 0.853 103.9 49.1 -51.7 -39.2 -2.1 4.5 30.6 22 14FL L H << S+ 0 0 1 -3,-0.9 141,-0.4 -4,-0.7 4,-0.3 0.905 111.1 47.5 -71.7 -42.8 1.5 5.7 30.7 23 14GL L H >< S+ 0 0 87 -4,-1.5 3,-1.3 1,-0.2 -2,-0.2 0.890 110.0 54.1 -61.8 -44.0 0.7 9.0 32.4 24 14HL E H 3< S+ 0 0 131 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.897 97.9 65.6 -55.5 -43.2 -1.4 7.1 34.9 25 14IL S T 3< S+ 0 0 15 -4,-1.7 2,-0.5 1,-0.3 -1,-0.2 0.602 76.1 84.0 -64.6 -10.7 1.5 4.8 35.7 26 14JL Y < 0 0 30 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.1 -0.017 360.0 360.0 -81.5 38.6 3.5 7.7 37.2 27 14KL I 0 0 188 -2,-0.5 -1,-0.2 -3,-0.3 134,-0.0 0.182 360.0 360.0 20.2 360.0 1.5 6.9 40.4 28 !* 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 29 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 133.4 4.9 -7.8 19.4 30 17 H V B -A 221 0A 8 191,-3.7 191,-1.9 1,-0.2 143,-0.1 -0.885 360.0 -2.0-108.5 128.6 3.0 -10.3 21.4 31 18 H E S S+ 0 0 117 141,-0.5 -1,-0.2 -2,-0.5 188,-0.2 0.837 103.5 119.9 62.7 37.3 -0.4 -9.5 22.9 32 19 H G - 0 0 27 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.251 56.2-112.6-107.0-159.9 -0.4 -5.9 21.6 33 20 H S E -B 184 0B 77 151,-2.5 151,-2.6 -2,-0.1 -3,-0.0 -0.930 35.4 -81.0-134.8 161.0 -2.6 -3.8 19.3 34 21 H D E -B 183 0B 101 -2,-0.3 149,-0.3 149,-0.2 2,-0.1 -0.330 52.3-118.3 -52.4 136.4 -2.4 -2.2 15.8 35 22 H A - 0 0 6 147,-3.2 2,-0.1 59,-0.1 -1,-0.1 -0.485 25.2-114.7 -75.3 151.4 -0.7 1.2 16.0 36 23 H E > - 0 0 42 -2,-0.1 3,-1.5 1,-0.1 4,-0.3 -0.490 46.5 -82.1 -73.1 158.1 -2.6 4.3 15.0 37 24 H I T 3 S+ 0 0 91 1,-0.2 -1,-0.1 -2,-0.1 57,-0.1 -0.436 116.6 4.3 -58.2 131.2 -1.5 6.2 11.9 38 25 H G T 3 S+ 0 0 12 -2,-0.2 -30,-0.3 104,-0.1 -1,-0.2 0.526 92.2 126.2 69.5 4.7 1.5 8.5 12.9 39 26 H M S < S+ 0 0 6 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.737 84.0 23.5 -64.9 -23.2 1.5 7.1 16.5 40 27 H S > + 0 0 11 -4,-0.3 3,-2.7 102,-0.1 -1,-0.3 -0.484 69.0 166.9-144.1 64.2 5.2 6.3 16.3 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.1 0.504 77.1 60.3 -70.2 -0.6 6.7 8.6 13.6 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 2,-0.2 0.466 75.7 118.7 -98.8 -7.9 10.2 7.6 14.7 43 30 H Q E < -J 59 0C 2 -3,-2.7 49,-0.9 16,-0.2 50,-0.4 -0.428 44.8-171.5 -64.6 130.6 9.7 3.9 14.0 44 31 H V E -JK 58 91C 0 14,-2.4 14,-1.3 47,-0.2 2,-0.5 -0.952 15.4-145.6-125.8 139.0 12.2 2.7 11.4 45 32 H M E -JK 57 90C 0 45,-2.4 45,-2.7 -2,-0.4 2,-0.6 -0.964 11.4-143.3-104.0 123.8 12.2 -0.7 9.6 46 33 H L E -JK 56 89C 1 10,-2.1 9,-3.0 -2,-0.5 10,-1.0 -0.802 27.6-159.7 -81.4 121.6 15.7 -2.1 8.7 47 34 H F E -JK 54 88C 1 41,-3.6 41,-2.7 -2,-0.6 2,-0.4 -0.913 13.9-135.8-116.4 129.3 15.1 -3.8 5.4 48 35 H R E > -JK 53 87C 77 5,-3.5 5,-1.1 -2,-0.5 39,-0.2 -0.675 8.3-158.9 -79.0 129.8 17.1 -6.4 3.7 49 36 H K T 5S+ 0 0 34 37,-2.1 3,-0.3 -2,-0.4 -1,-0.1 0.960 80.7 54.0 -68.0 -55.0 17.8 -5.8 -0.0 50 36AH S T 5S+ 0 0 84 36,-0.4 2,-1.5 1,-0.3 37,-0.0 0.947 125.5 16.7 -57.4 -98.2 18.6 -9.5 -1.1 51 37 H P T 5S- 0 0 72 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 -0.743 104.9-125.4 -70.2 109.7 15.8 -11.5 -0.0 52 38 H Q T 5 + 0 0 51 -2,-1.5 229,-0.4 -3,-0.3 2,-0.3 -0.399 60.2 134.9 -52.6 105.9 13.7 -8.3 0.4 53 39 H E E < -J 48 0C 67 -5,-1.1 -5,-3.5 -2,-0.5 2,-0.3 -0.993 62.0 -89.5-156.2 159.3 12.7 -8.8 4.0 54 40 H L E +J 47 0C 25 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.564 36.2 175.6 -67.9 130.5 12.3 -7.2 7.4 55 41 H L E - 0 0 32 -9,-3.0 2,-0.2 1,-0.4 170,-0.2 0.831 56.4 -42.7 -95.7 -51.7 15.5 -7.5 9.4 56 42 H b E -J 46 0C 6 -10,-1.0 -10,-2.1 170,-0.1 -1,-0.4 -0.871 56.2 -92.6-160.6 177.4 14.7 -5.5 12.6 57 43 H G E +J 45 0C 2 170,-3.6 12,-0.4 -2,-0.2 2,-0.3 -0.567 38.1 171.8 -98.4-178.6 13.2 -2.3 13.9 58 44 H A E -J 44 0C 0 -14,-1.3 -14,-2.4 -2,-0.2 2,-0.3 -0.915 23.2-120.5-172.5 171.7 15.1 0.9 14.6 59 45 H S E -JL 43 67C 0 8,-2.3 8,-2.9 -2,-0.3 2,-0.6 -0.978 14.7-125.8-135.7 150.8 14.3 4.5 15.6 60 46 H L E + L 0 66C 0 -18,-1.9 86,-2.1 -2,-0.3 6,-0.2 -0.839 29.1 168.8 -94.7 122.4 14.9 8.0 14.0 61 47 H I - 0 0 24 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.450 68.5 -2.9-116.7 -7.9 16.6 10.4 16.3 62 48 H S S S- 0 0 34 3,-1.2 -1,-0.2 85,-0.1 3,-0.1 -0.912 88.8 -82.8-156.1-170.1 17.5 13.2 13.9 63 49 H D S S+ 0 0 54 -2,-0.3 74,-3.2 1,-0.2 72,-0.1 0.655 129.6 25.8 -72.5 -11.2 17.1 13.8 10.1 64 50 H R S S+ 0 0 102 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.403 108.9 76.9-131.6 -1.1 20.3 11.8 9.5 65 51 H W E - M 0 132C 12 67,-0.2 -4,-2.3 -3,-0.1 -3,-1.2 -0.959 47.9-173.3-129.7 131.1 20.7 9.3 12.4 66 52 H V E -LM 60 131C 0 65,-1.9 65,-2.2 -2,-0.4 2,-0.4 -0.973 13.9-145.9-125.1 138.6 18.9 6.0 13.1 67 53 H L E +LM 59 130C 0 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.869 28.0 154.6-108.1 135.7 19.3 4.0 16.3 68 54 H T E - M 0 129C 0 61,-2.5 61,-1.7 -2,-0.4 2,-0.4 -0.838 46.9 -80.8-145.0 178.6 19.1 0.1 16.4 69 55 H A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.2 4,-0.5 -0.772 34.7-132.9 -82.4 140.8 20.3 -3.0 18.4 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 3,-1.9 0.873 103.9 63.4 -55.3 -39.9 23.9 -4.0 17.6 71 57 H H G 34 S+ 0 0 29 1,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.601 91.2 66.1 -70.5 -12.0 22.8 -7.7 17.2 72 58 H b G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.769 117.9 24.6 -67.7 -31.4 20.6 -6.7 14.2 73 59 H L T <4 S+ 0 0 2 -3,-1.9 9,-3.1 -4,-0.5 2,-0.4 0.726 129.7 34.1-106.0 -33.7 23.8 -5.8 12.3 74 60 H L E < +P 81 0D 30 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.975 54.2 142.6-135.4 112.4 26.5 -7.9 13.9 75 60AH Y E > > -P 80 0D 64 5,-3.2 3,-1.8 -2,-0.4 5,-1.7 -0.529 17.6-178.7-147.1 82.6 26.1 -11.4 15.4 76 60BH P G > 5S+ 0 0 44 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.822 75.6 68.9 -52.9 -39.8 29.2 -13.6 14.7 77 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.807 114.0 33.2 -53.9 -22.3 28.0 -16.8 16.4 78 60DH W G < 5S- 0 0 202 -3,-1.8 0, 0.0 2,-0.1 0, 0.0 0.133 118.2-110.0-114.0 12.6 25.5 -17.0 13.5 79 60EH D T < 5 + 0 0 153 -3,-2.6 2,-0.5 1,-0.2 0, 0.0 0.503 66.9 148.5 71.3 9.0 27.8 -15.4 10.8 80 60FH K E < +P 75 0D 60 -5,-1.7 -5,-3.2 -9,-0.1 -1,-0.2 -0.633 2.9 145.5 -78.1 121.4 25.8 -12.1 10.6 81 60GH N E -P 74 0D 115 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.533 31.7-156.4-156.1 84.4 27.9 -9.1 9.9 82 60HH F - 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