==== 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 21-FEB-03 1O0D . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.E.LANGE,D.BAUKE,W.HORNBERGER,H.MACK,W.SEITZ,H.W.HOEFFKEN . 294 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 60.9 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 25.9 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.5 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 1 1 0 0 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 0 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 1FL G 0 0 98 0, 0.0 4,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-120.3 16.1 53.1 25.8 2 1EL S + 0 0 51 153,-0.1 2,-0.3 1,-0.1 153,-0.2 0.272 360.0 48.2 -70.7 15.7 18.3 50.0 25.9 3 1DL G S S- 0 0 13 151,-0.1 151,-0.1 4,-0.1 -1,-0.1 -0.908 117.1 -84.0-154.5 123.7 16.2 49.3 22.9 4 1CL E > - 0 0 71 64,-0.3 3,-2.1 -2,-0.3 -2,-0.1 0.171 53.1 -92.0 -33.4 147.0 15.7 52.0 20.2 5 1BL A T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -4,-0.1 -3,-0.1 0.664 119.9 39.2 -33.7 -42.0 13.0 54.6 20.8 6 1AL D T > S+ 0 0 63 147,-0.0 3,-1.1 2,-0.0 -1,-0.3 0.506 83.7 126.4 -98.2 -3.0 10.1 52.8 19.1 7 1 L a T < + 0 0 3 -3,-2.1 146,-0.2 1,-0.2 -4,-0.1 -0.006 65.5 24.3 -54.6 157.3 10.6 49.2 20.0 8 2 L G T 3 S+ 0 0 0 144,-2.0 2,-0.8 239,-0.2 240,-0.6 0.363 89.0 111.7 72.0 -5.4 7.9 47.0 21.5 9 3 L L < - 0 0 34 -3,-1.1 -1,-0.1 143,-0.2 238,-0.1 -0.870 59.8-145.4-106.2 105.1 5.0 49.0 20.3 10 4 L R > > - 0 0 0 -2,-0.8 5,-2.4 1,-0.1 3,-1.2 -0.467 7.3-140.0 -73.2 134.0 3.0 47.1 17.7 11 5 L P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.839 102.0 45.6 -58.3 -39.2 1.4 49.0 14.8 12 6 L L T 3 5S+ 0 0 31 136,-0.4 34,-0.1 33,-0.3 -2,-0.1 0.374 129.2 16.0 -91.2 5.1 -1.8 47.0 14.8 13 7 L F T X>>S+ 0 0 16 -3,-1.2 5,-2.2 32,-0.1 3,-2.1 0.340 124.5 30.8-136.3 -86.9 -2.2 47.1 18.6 14 8 L E G >45S+ 0 0 32 1,-0.3 3,-0.7 3,-0.2 -5,-0.1 0.861 118.8 55.7 -51.7 -37.5 -0.5 49.4 21.1 15 9 L K G 34 - 0 0 9 -2,-0.3 3,-0.6 26,-0.1 4,-0.4 -0.411 38.0 -92.5 -87.8 169.0 -4.8 41.2 21.2 21 14AL K T 3 S+ 0 0 159 1,-0.2 -1,-0.1 -2,-0.1 3,-0.0 0.714 116.7 20.5 -54.1 -29.1 -6.9 38.2 22.3 22 14BL T T >> S+ 0 0 44 2,-0.1 3,-1.8 1,-0.1 4,-0.8 0.407 84.3 104.3-127.2 6.7 -4.7 37.0 25.1 23 14CL E H X> S+ 0 0 5 -3,-0.6 4,-1.6 1,-0.3 3,-0.5 0.796 78.6 65.0 -60.9 -23.1 -2.5 39.8 26.3 24 14DL R H 3> S+ 0 0 150 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.747 90.2 63.8 -71.4 -21.0 -4.7 40.2 29.3 25 14EL E H <> S+ 0 0 48 -3,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.870 104.6 49.4 -66.8 -35.4 -3.7 36.8 30.6 26 14FL L H X< S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.5 144,-0.4 0.958 112.4 43.4 -66.6 -55.0 -0.2 38.2 30.9 27 14GL L H >< S+ 0 0 49 -4,-1.6 3,-1.6 1,-0.3 -2,-0.2 0.851 105.9 62.3 -62.0 -37.5 -1.0 41.3 32.8 28 14HL E H 3<>S+ 0 0 133 -4,-2.2 5,-0.5 1,-0.3 4,-0.4 0.735 106.6 48.3 -60.9 -21.0 -3.4 39.5 35.1 29 14IL S T <<5S+ 0 0 2 -3,-1.1 2,-0.4 -4,-0.5 -1,-0.3 0.478 84.1 92.8 -98.5 -3.9 -0.4 37.5 36.2 30 14JL Y T < 5S+ 0 0 13 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.1 -0.017 99.0 13.0 -83.5 34.3 2.0 40.4 36.8 31 14KL I T 5S- 0 0 106 -2,-0.4 -2,-0.1 -3,-0.2 -1,-0.1 0.180 126.2 -14.0-161.1 -67.2 1.3 40.9 40.5 32 14LL D T 5S+ 0 0 136 -4,-0.4 -3,-0.1 136,-0.0 -4,-0.1 0.756 107.0 61.0-126.3 -44.9 -0.7 38.5 42.7 33 14ML G < 0 0 64 -5,-0.5 -4,-0.1 1,-0.1 -5,-0.0 0.791 360.0 360.0 -55.5-117.3 -2.6 35.7 41.0 34 15 L R 0 0 114 -6,-0.2 -5,-0.2 134,-0.0 -1,-0.1 -0.311 360.0 360.0-120.4 360.0 -0.6 33.3 38.8 35 !* 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 36 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 134.1 4.3 25.2 19.6 37 17 H V B +A 228 0A 11 191,-3.0 191,-1.4 1,-0.2 143,-0.1 -0.914 360.0 1.0-112.0 135.5 2.1 22.6 21.5 38 18 H E S S+ 0 0 125 -2,-0.4 -1,-0.2 141,-0.4 188,-0.1 0.842 104.7 117.5 60.8 34.7 -1.3 23.4 22.8 39 19 H G - 0 0 30 -3,-0.3 2,-0.3 153,-0.1 153,-0.2 -0.106 53.3-128.2-108.0-150.6 -1.1 26.9 21.5 40 20 H S E -B 191 0B 65 151,-1.5 151,-2.0 -2,-0.1 2,-0.3 -0.987 32.8 -64.3-160.7 167.4 -3.2 28.7 18.9 41 21 H D E -B 190 0B 108 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.385 49.9-132.1 -62.1 118.4 -3.2 30.8 15.7 42 22 H A - 0 0 5 147,-2.7 2,-0.2 -2,-0.3 147,-0.1 -0.250 23.1-119.9 -64.0 156.1 -1.5 34.1 16.2 43 23 H E > - 0 0 40 1,-0.1 3,-2.1 147,-0.0 4,-0.3 -0.648 42.4 -73.7 -98.2 160.8 -3.4 37.1 14.9 44 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.250 117.0 3.4 -54.6 131.6 -2.1 39.4 12.2 45 25 H G T 3 S+ 0 0 12 55,-0.1 -33,-0.3 2,-0.1 -1,-0.3 0.571 90.4 126.0 69.9 9.9 0.6 41.7 13.4 46 26 H M S < S+ 0 0 6 -3,-2.1 -2,-0.1 1,-0.3 -36,-0.1 0.822 82.7 25.9 -68.6 -32.2 0.6 40.1 16.8 47 27 H S > + 0 0 12 -4,-0.3 3,-2.4 1,-0.1 -1,-0.3 -0.527 67.6 169.8-132.5 67.1 4.4 39.4 16.7 48 28 H P T 3 S+ 0 0 2 0, 0.0 103,-2.1 0, 0.0 51,-0.1 0.571 79.5 55.3 -54.1 -11.6 5.9 42.0 14.3 49 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 104,-0.1 0.551 76.6 119.7 -99.9 -10.8 9.4 41.0 15.5 50 30 H Q E < -J 66 0C 3 -3,-2.4 49,-0.9 16,-0.2 50,-0.3 -0.359 44.7-169.4 -60.8 126.4 9.0 37.3 14.7 51 31 H V E -JK 65 98C 0 14,-2.6 14,-1.2 47,-0.2 2,-0.5 -0.903 15.6-141.7-121.7 149.1 11.6 36.2 12.1 52 32 H M E -JK 64 97C 0 45,-2.4 45,-2.4 -2,-0.3 2,-0.8 -0.939 9.0-145.4-112.8 125.2 12.0 33.0 10.1 53 33 H L E -JK 63 96C 0 10,-2.9 9,-2.8 -2,-0.5 10,-1.0 -0.804 26.7-164.6 -86.8 114.5 15.4 31.5 9.4 54 34 H F E -JK 61 95C 0 41,-3.3 41,-2.5 -2,-0.8 2,-0.4 -0.885 13.8-138.8-111.5 131.1 15.0 30.1 5.9 55 35 H R E > -JK 60 94C 74 5,-2.6 5,-0.9 -2,-0.5 39,-0.2 -0.676 5.8-149.2 -85.6 131.6 17.4 27.6 4.3 56 36 H K T 5S+ 0 0 28 37,-2.0 3,-0.2 -2,-0.4 -1,-0.1 0.929 79.1 50.7 -64.6 -49.0 18.2 28.2 0.6 57 36AH S T 5S+ 0 0 97 1,-0.4 -1,-0.2 36,-0.4 2,-0.2 -0.874 122.9 16.7-149.0 114.4 18.7 24.5 -0.3 58 37 H P T 5S- 0 0 70 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.548 102.3-126.3 -71.8 156.8 16.7 22.6 0.4 59 38 H Q T 5 + 0 0 59 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.622 56.3 132.1 -74.0 112.7 14.2 25.4 1.0 60 39 H E E < -J 55 0C 68 -5,-0.9 -5,-2.6 -2,-0.7 2,-0.2 -0.995 62.9 -84.6-160.9 159.0 12.9 24.8 4.5 61 40 H L E +J 54 0C 24 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.483 41.7 172.0 -66.0 131.3 12.1 26.3 7.9 62 41 H L E - 0 0 26 -9,-2.8 2,-0.3 1,-0.4 170,-0.2 0.789 52.9 -39.7-108.5 -48.3 15.2 26.3 9.9 63 42 H b E -J 53 0C 3 -10,-1.0 -10,-2.9 170,-0.1 -1,-0.4 -0.957 52.5 -98.3-166.8 177.5 14.4 28.3 13.1 64 43 H G E +J 52 0C 2 170,-3.9 12,-0.4 -2,-0.3 2,-0.3 -0.591 40.3 166.6-103.0 170.6 12.7 31.2 14.6 65 44 H A E -J 51 0C 0 -14,-1.2 -14,-2.6 -2,-0.2 2,-0.3 -0.927 23.9-117.9-168.5 179.2 14.5 34.5 15.4 66 45 H S E -JL 50 74C 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.6 -0.989 12.3-124.5-142.2 150.0 13.6 38.1 16.3 67 46 H L E + L 0 73C 0 -18,-1.9 86,-2.5 -2,-0.3 6,-0.2 -0.784 28.8 166.5 -92.0 121.2 14.1 41.6 15.0 68 47 H I S S- 0 0 15 4,-2.2 -64,-0.3 -2,-0.6 2,-0.3 0.490 71.3 -14.8-111.2 -6.8 15.8 44.0 17.5 69 48 H S S S- 0 0 29 3,-0.9 -1,-0.2 -66,-0.1 84,-0.1 -0.890 86.7 -77.3-169.9-167.6 16.5 46.8 15.1 70 49 H D S S+ 0 0 71 -2,-0.3 74,-1.9 1,-0.2 72,-0.1 0.618 127.1 31.2 -86.8 -9.7 16.6 47.3 11.3 71 50 H R S S+ 0 0 61 72,-0.2 69,-3.5 1,-0.1 2,-0.4 0.463 111.0 66.6-122.1 -7.5 20.0 45.6 10.8 72 51 H W E - M 0 139C 15 67,-0.2 -4,-2.2 65,-0.0 -3,-0.9 -0.960 48.2-175.7-128.0 132.6 20.1 42.9 13.6 73 52 H V E -LM 67 138C 0 65,-2.1 65,-2.2 -2,-0.4 2,-0.3 -0.976 18.7-142.1-124.1 137.9 18.1 39.8 14.3 74 53 H L E +LM 66 137C 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.3 -0.776 30.9 150.1 -99.3 139.2 18.6 37.7 17.4 75 54 H T E - M 0 136C 0 61,-2.4 61,-2.4 -2,-0.3 2,-0.4 -0.900 46.3 -74.6-153.5-178.2 18.5 33.9 17.5 76 55 H A > - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.4 -0.725 31.6-138.0 -89.7 134.6 19.7 30.7 19.1 77 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-2.5 0.878 99.5 66.2 -58.1 -42.2 23.2 29.5 18.4 78 57 H H G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.635 90.9 67.7 -57.6 -11.7 22.3 25.9 18.0 79 58 H b G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.788 115.5 24.8 -75.2 -28.6 20.4 27.0 14.9 80 59 H L T <4 S+ 0 0 1 -3,-2.5 9,-2.2 -4,-0.4 2,-0.4 0.776 130.9 31.3-103.0 -39.9 23.6 27.8 13.2 81 60 H L E < +P 88 0D 40 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.986 56.6 136.4-132.1 125.6 26.2 25.6 15.0 82 60AH Y E > > -P 87 0D 46 5,-3.2 3,-2.4 -2,-0.4 5,-1.8 -0.349 22.8-172.5-166.5 75.1 25.6 22.2 16.5 83 60BH P G > 5S+ 0 0 48 0, 0.0 3,-3.0 0, 0.0 5,-0.1 0.787 80.0 71.2 -39.3 -46.8 28.4 19.6 15.7 84 60CH P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.854 112.3 30.9 -45.3 -36.6 26.5 16.7 17.3 85 60DH W G < 5S- 0 0 176 -3,-2.4 3,-0.1 2,-0.1 0, 0.0 0.230 117.1-109.5-105.9 12.8 24.2 16.9 14.4 86 60EH D T < 5 + 0 0 151 -3,-3.0 2,-0.5 1,-0.2 -5,-0.0 0.786 65.8 156.9 64.9 27.2 26.7 18.1 11.9 87 60FH K E < +P 82 0D 39 -5,-1.8 -5,-3.2 1,-0.0 -1,-0.2 -0.761 4.1 139.3 -89.6 125.1 25.0 21.4 11.9 88 60GH N E -P 81 0D 113 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.389 23.5-179.3-165.7 78.1 27.2 24.4 10.8 89 60HH F - 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