==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING/HYDROLASE INHIBITOR 31-JAN-05 1YPL . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.FOKKENS,G.RADAU . 287 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13024.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 61.0 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 . 77 26.8 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 . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 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 2 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 . 5 4 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 0 122 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.7 13.2 20.9 20.4 2 1AL D > + 0 0 71 144,-0.0 3,-1.5 2,-0.0 145,-0.1 0.306 360.0 134.9-102.4 8.2 10.1 19.5 18.8 3 1 L a T 3 + 0 0 34 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.150 67.0 17.7 -49.4 144.8 11.2 15.9 19.5 4 2 L G T 3 S+ 0 0 0 141,-3.5 237,-1.8 1,-0.2 2,-0.6 0.578 91.4 116.1 73.9 5.1 8.6 13.6 20.8 5 3 L L < - 0 0 33 -3,-1.5 -1,-0.2 140,-0.3 235,-0.1 -0.956 60.4-140.5-108.0 116.0 5.6 15.7 19.9 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.8 1,-0.1 3,-1.2 -0.665 5.3-142.4 -84.2 127.7 3.5 13.8 17.3 7 5 L P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.821 102.5 43.5 -50.4 -41.5 2.0 15.8 14.4 8 6 L L T 3 5S+ 0 0 33 133,-0.5 31,-0.1 30,-0.4 133,-0.0 0.483 130.7 16.9 -93.1 2.1 -1.2 13.8 14.5 9 7 L F T X>>S+ 0 0 16 -3,-1.2 5,-3.1 29,-0.1 3,-1.3 0.420 128.5 26.5-129.7 -83.7 -1.7 13.8 18.2 10 8 L E G >45S+ 0 0 28 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.857 120.2 54.3 -53.6 -40.0 0.2 16.2 20.6 11 9 L K G 34> S+ 0 0 46 1,-0.1 3,-1.5 2,-0.1 4,-0.8 0.513 84.6 101.0-126.1 6.7 -4.3 4.0 25.0 19 14CL E H 3> S+ 0 0 12 -3,-0.3 4,-2.1 1,-0.3 3,-0.4 0.816 79.4 65.2 -61.2 -21.5 -1.9 6.8 26.2 20 14DL R H 3> S+ 0 0 122 -4,-0.4 4,-3.0 1,-0.2 -1,-0.3 0.856 91.2 63.3 -68.1 -27.6 -4.1 7.3 29.3 21 14EL E H <> S+ 0 0 52 -3,-1.5 4,-0.7 2,-0.2 -1,-0.2 0.902 105.8 46.1 -57.8 -39.4 -3.2 3.8 30.4 22 14FL L H >X S+ 0 0 1 -4,-0.8 4,-1.1 -3,-0.4 3,-0.8 0.939 111.9 50.4 -64.7 -51.1 0.4 5.1 30.6 23 14GL L H >< S+ 0 0 67 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.924 107.0 53.5 -52.5 -47.4 -0.6 8.3 32.4 24 14HL E H 3< S+ 0 0 121 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.757 106.2 54.7 -68.0 -17.4 -2.6 6.4 35.0 25 14IL S H << S+ 0 0 17 -3,-0.8 2,-1.9 -4,-0.7 -1,-0.3 0.724 75.3 101.8 -86.1 -18.5 0.4 4.2 35.7 26 14JL Y << 0 0 26 -4,-1.1 -1,-0.2 -3,-1.0 135,-0.0 -0.566 360.0 360.0 -83.4 82.3 2.5 7.3 36.5 27 14KL I 0 0 182 -2,-1.9 -1,-0.3 132,-0.0 -2,-0.2 -0.526 360.0 360.0 -11.6 360.0 2.0 6.4 39.9 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 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 118.9 4.4 -8.0 19.2 30 17 H V B 3 -A 221 0A 12 191,-2.8 191,-1.4 1,-0.2 143,-0.1 -0.812 360.0 -2.0 -96.4 133.1 2.4 -10.7 20.9 31 18 H E T 3 S+ 0 0 129 141,-0.5 -1,-0.2 -2,-0.5 188,-0.1 0.816 102.5 121.6 61.3 35.7 -1.1 -9.8 22.3 32 19 H G < - 0 0 29 -3,-0.6 2,-0.3 153,-0.1 153,-0.2 -0.105 55.3-119.1 -98.6-151.7 -0.8 -6.2 21.2 33 20 H S E -B 184 0B 62 151,-2.1 151,-2.7 -2,-0.1 2,-0.2 -0.926 33.6 -75.2-143.1 168.5 -3.1 -4.3 18.8 34 21 H D E -B 183 0B 104 -2,-0.3 149,-0.3 149,-0.2 148,-0.1 -0.525 52.5-121.9 -61.4 129.0 -2.9 -2.4 15.5 35 22 H A - 0 0 6 147,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.284 24.9-113.1 -66.0 156.4 -1.2 1.0 16.0 36 23 H E > - 0 0 63 1,-0.1 3,-1.7 147,-0.0 4,-0.3 -0.597 47.1 -81.2 -82.2 157.2 -3.2 4.1 15.0 37 24 H I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.395 116.3 3.4 -59.0 130.5 -2.0 6.1 12.0 38 25 H G T 3 S+ 0 0 12 -2,-0.1 -30,-0.4 104,-0.1 -1,-0.3 0.593 91.3 125.6 67.9 12.5 0.9 8.4 13.1 39 26 H M S < S+ 0 0 5 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.733 84.6 24.1 -73.0 -21.7 0.9 7.0 16.7 40 27 H S > + 0 0 12 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.502 69.3 164.2-144.0 66.7 4.6 6.2 16.4 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.552 74.7 61.6 -70.3 -8.0 6.2 8.4 13.8 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 2,-0.1 0.440 76.8 124.0 -89.9 -3.4 9.7 7.7 15.0 43 30 H Q E < -J 59 0C 2 -3,-2.3 49,-0.8 16,-0.2 50,-0.4 -0.382 42.8-169.1 -65.6 129.3 9.2 4.0 14.2 44 31 H V E -JK 58 91C 0 14,-2.3 14,-1.1 47,-0.1 2,-0.5 -0.943 14.1-149.2-123.0 143.2 11.8 2.7 11.8 45 32 H M E -JK 57 90C 0 45,-2.1 45,-3.0 -2,-0.4 2,-0.6 -0.961 8.3-149.6-111.2 122.4 12.0 -0.6 9.8 46 33 H L E -JK 56 89C 1 10,-2.7 9,-3.0 -2,-0.5 10,-1.7 -0.880 24.2-167.8 -89.9 124.3 15.4 -2.0 9.0 47 34 H F E -JK 54 88C 0 41,-2.7 41,-2.4 -2,-0.6 2,-0.3 -0.976 19.0-128.8-125.8 126.3 15.0 -3.8 5.8 48 35 H R E > -JK 53 87C 79 5,-3.2 5,-1.0 -2,-0.4 39,-0.2 -0.582 10.5-151.9 -72.7 136.5 17.4 -6.2 4.1 49 36 H K T 5S+ 0 0 34 37,-2.3 3,-0.4 1,-0.3 -1,-0.2 0.962 79.9 49.2 -70.1 -61.3 18.2 -5.4 0.5 50 36AH S T 5S+ 0 0 104 36,-0.5 -1,-0.3 1,-0.4 2,-0.1 -0.942 123.4 20.1-132.1 120.1 18.9 -9.0 -0.6 51 37 H P T 5S- 0 0 77 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 0.545 104.3-126.3 -74.7 140.5 16.8 -10.9 0.1 52 38 H Q T 5 + 0 0 73 -3,-0.4 230,-0.3 -2,-0.1 2,-0.3 -0.288 59.3 128.3 -57.0 96.0 14.2 -8.1 0.6 53 39 H E E < -J 48 0C 71 -5,-1.0 -5,-3.2 -2,-0.7 2,-0.4 -0.960 65.4 -80.2-151.4 165.3 13.0 -8.7 4.2 54 40 H L E +J 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.538 40.7 171.0 -67.9 123.4 12.4 -7.4 7.6 55 41 H L E - 0 0 26 -9,-3.0 2,-0.3 1,-0.4 -8,-0.2 0.816 55.8 -46.6 -99.6 -40.5 15.6 -7.3 9.6 56 42 H b E -J 46 0C 3 -10,-1.7 -10,-2.7 170,-0.1 -1,-0.4 -0.970 51.5 -95.4-171.6 174.3 14.7 -5.3 12.7 57 43 H G E +J 45 0C 1 170,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.474 41.1 166.8 -96.0 177.6 12.9 -2.4 14.2 58 44 H A E -J 44 0C 0 -14,-1.1 -14,-2.3 -2,-0.2 2,-0.3 -0.929 26.3-105.2-178.5 178.4 14.6 0.9 15.1 59 45 H S E -JL 43 67C 0 8,-2.8 8,-2.8 -2,-0.3 2,-0.7 -0.979 13.2-132.5-133.0 138.1 14.0 4.6 16.1 60 46 H L E + L 0 66C 0 -18,-2.4 86,-2.3 -2,-0.3 6,-0.2 -0.757 31.3 162.9 -88.7 120.3 14.3 8.0 14.5 61 47 H I - 0 0 22 4,-2.4 2,-0.2 -2,-0.7 5,-0.2 0.690 66.5 -4.0-113.4 -16.8 16.1 10.4 16.8 62 48 H S S S- 0 0 38 3,-1.4 3,-0.3 85,-0.1 -1,-0.2 -0.883 87.6 -82.1-154.4-172.7 17.1 13.2 14.4 63 49 H D S S+ 0 0 78 -2,-0.2 74,-2.5 1,-0.2 72,-0.1 0.685 129.6 23.1 -76.6 -8.6 16.9 13.9 10.7 64 50 H R S S+ 0 0 67 72,-0.2 69,-2.4 1,-0.1 2,-0.4 0.334 109.2 81.4-133.4 8.3 20.0 11.9 10.1 65 51 H W E - M 0 132C 14 -3,-0.3 -4,-2.4 67,-0.2 -3,-1.4 -0.975 46.5-174.5-129.6 132.7 20.3 9.4 13.0 66 52 H V E -LM 60 131C 0 65,-2.4 65,-2.1 -2,-0.4 2,-0.4 -0.967 12.6-150.0-123.6 131.8 18.6 6.1 13.7 67 53 H L E +LM 59 130C 0 -8,-2.8 -8,-2.8 -2,-0.4 2,-0.2 -0.837 27.9 148.2-105.6 142.7 18.9 4.1 16.9 68 54 H T E - M 0 129C 0 61,-2.6 61,-2.3 -2,-0.4 2,-0.3 -0.857 49.4 -73.3-151.8-178.0 18.6 0.3 17.1 69 55 H A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.2 4,-0.4 -0.728 34.5-132.5 -86.2 140.8 19.9 -2.7 19.0 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.3 3,-1.7 0.843 105.5 63.3 -55.7 -37.0 23.5 -3.8 18.3 71 57 H H G 34 S+ 0 0 14 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.623 89.9 69.0 -69.2 -14.5 22.4 -7.4 17.8 72 58 H b G <4 S+ 0 0 3 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.760 116.7 22.5 -69.6 -28.2 20.4 -6.3 14.8 73 59 H L T <4 S+ 0 0 1 -3,-1.7 9,-2.6 -4,-0.4 2,-0.4 0.721 129.8 36.5-112.5 -26.1 23.6 -5.6 13.0 74 60 H L E < +P 81 0D 30 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.965 54.0 134.8-138.6 119.0 26.2 -7.8 14.7 75 60AH Y E > > -P 80 0D 54 5,-3.0 3,-2.6 -2,-0.4 5,-1.7 -0.486 23.0-173.8-160.5 78.6 25.7 -11.3 16.2 76 60BH P G > 5S+ 0 0 45 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.788 80.0 68.0 -47.0 -39.6 28.5 -13.7 15.3 77 60CH P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.787 112.0 36.4 -54.2 -24.5 26.9 -16.8 16.9 78 60DH W G < 5S- 0 0 176 -3,-2.6 3,-0.1 2,-0.1 0, 0.0 0.130 118.6-113.3-109.5 16.0 24.3 -16.4 14.0 79 60EH D T < 5 + 0 0 156 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.861 65.9 151.2 52.7 38.0 26.9 -15.3 11.5 80 60FH K E < +P 75 0D 41 -5,-1.7 -5,-3.0 2,-0.0 -1,-0.2 -0.877 5.5 142.6-101.6 122.4 25.3 -11.8 11.4 81 60GH N E -P 74 0D 119 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.535 29.4-164.8-152.8 81.3 27.5 -8.9 10.6 82 60HH F - 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