==== 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 31-JAN-05 1YPG . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.FOKKENS,U.OBST-SANDER,A.HEINE,F.DIEDERICH,G.KLEBE . 288 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.1 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 . 78 27.1 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 . 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 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 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 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 1BL A 0 0 113 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.5 13.4 20.1 20.7 2 1AL D > + 0 0 90 144,-0.1 3,-1.4 3,-0.0 145,-0.1 0.235 360.0 132.3 -87.5 -5.8 10.3 19.4 18.7 3 1 L a T 3 + 0 0 26 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.107 61.5 14.8 -56.0 149.3 11.1 15.8 19.7 4 2 L G T 3 S+ 0 0 0 141,-2.9 238,-2.2 1,-0.2 2,-0.6 0.484 93.2 113.7 74.3 3.0 8.5 13.5 21.2 5 3 L L < - 0 0 43 -3,-1.4 -1,-0.2 140,-0.3 236,-0.1 -0.945 61.4-142.4-109.8 108.7 5.5 15.7 20.1 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.6 1,-0.1 3,-1.2 -0.567 6.9-140.4 -79.8 129.5 3.5 13.8 17.4 7 5 L P T 3 5S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.869 104.2 42.5 -50.6 -41.4 2.0 15.8 14.5 8 6 L L T 3 5S+ 0 0 27 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.534 130.7 18.4 -92.3 -0.8 -1.2 13.8 14.6 9 7 L F T X >S+ 0 0 14 -3,-1.2 5,-2.2 29,-0.1 3,-1.3 0.444 128.2 24.1-127.9 -88.7 -1.6 13.7 18.4 10 8 L E G > 5S+ 0 0 32 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.880 120.4 55.0 -52.7 -42.3 0.3 16.2 20.8 11 9 L K G 3 - 0 0 8 -2,-0.3 3,-0.6 23,-0.1 4,-0.4 -0.422 38.5 -94.3 -85.3 171.3 -4.3 8.2 21.1 17 14AL K T 3 S+ 0 0 171 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.522 114.1 21.2 -72.5 -7.1 -6.5 5.4 22.3 18 14BL T T >> S+ 0 0 44 2,-0.1 4,-1.0 3,-0.0 3,-0.8 0.363 83.2 103.3-140.8 9.6 -4.3 4.0 25.1 19 14CL E H <> S+ 0 0 12 -3,-0.6 4,-2.1 1,-0.2 3,-0.3 0.857 78.4 67.6 -61.8 -25.7 -1.9 6.7 26.3 20 14DL R H 3> S+ 0 0 139 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.887 90.9 60.9 -58.8 -37.1 -4.1 7.2 29.3 21 14EL E H <> S+ 0 0 49 -3,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.933 106.2 47.4 -52.6 -45.5 -3.2 3.7 30.5 22 14FL L H >X S+ 0 0 1 -4,-1.0 3,-1.6 -3,-0.3 4,-0.6 0.979 110.5 50.5 -60.7 -55.1 0.4 4.9 30.7 23 14GL L H >< S+ 0 0 89 -4,-2.1 3,-1.3 1,-0.3 -1,-0.2 0.867 106.2 56.0 -50.8 -39.4 -0.5 8.2 32.5 24 14HL E H 3< S+ 0 0 132 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.740 104.8 52.8 -69.2 -21.6 -2.5 6.3 35.1 25 14IL S H << S+ 0 0 19 -3,-1.6 2,-1.4 -4,-0.9 -1,-0.3 0.547 76.4 104.2 -92.0 -3.3 0.4 4.1 36.0 26 14JL Y << 0 0 21 -3,-1.3 -1,-0.1 -4,-0.6 135,-0.0 -0.708 360.0 360.0 -90.1 87.9 2.6 7.2 36.6 27 14KL I 0 0 187 -2,-1.4 -3,-0.0 132,-0.1 -1,-0.0 -0.664 360.0 360.0 23.5 360.0 2.2 6.6 40.2 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 0.000 360.0 360.0 360.0 126.4 4.4 -8.0 19.1 30 17 H V B -A 222 0A 11 192,-3.1 192,-1.3 1,-0.2 143,-0.1 -0.844 360.0 -4.0 -98.9 133.5 2.3 -10.6 21.0 31 18 H E S S+ 0 0 131 141,-0.5 -1,-0.2 -2,-0.5 189,-0.2 0.803 101.8 121.5 58.7 36.2 -1.1 -9.8 22.3 32 19 H G - 0 0 26 -3,-0.4 2,-0.3 154,-0.1 154,-0.2 -0.159 55.4-118.6-101.2-154.7 -0.8 -6.1 21.3 33 20 H S E -B 185 0B 60 152,-2.5 152,-2.2 -2,-0.1 2,-0.1 -0.915 33.6 -74.0-143.1 169.6 -3.1 -4.2 19.0 34 21 H D E -B 184 0B 109 -2,-0.3 150,-0.3 150,-0.2 2,-0.1 -0.456 52.1-120.2 -61.9 137.6 -3.0 -2.3 15.7 35 22 H A - 0 0 7 148,-3.5 2,-0.2 59,-0.1 -1,-0.1 -0.422 23.0-116.2 -71.5 155.2 -1.3 1.1 15.9 36 23 H E > - 0 0 43 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.590 46.0 -84.2 -81.0 154.1 -3.2 4.2 15.1 37 24 H I T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.405 116.4 6.7 -59.3 131.1 -2.0 6.2 12.1 38 25 H G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.607 91.1 125.6 70.7 11.8 0.9 8.5 13.2 39 26 H M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.2 -33,-0.1 0.768 83.9 23.1 -66.8 -28.5 0.9 7.0 16.7 40 27 H S > + 0 0 11 -4,-0.3 3,-2.4 102,-0.1 -1,-0.2 -0.554 68.5 164.2-140.6 62.7 4.7 6.1 16.4 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 51,-0.1 0.555 75.2 61.1 -71.5 -3.8 6.2 8.5 13.9 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.7 103,-0.1 104,-0.1 0.367 77.4 124.4 -95.1 -3.1 9.7 7.7 15.1 43 30 H Q E < -J 59 0C 2 -3,-2.4 49,-0.9 16,-0.2 2,-0.4 -0.375 42.4-168.3 -62.8 133.9 9.2 4.1 14.2 44 31 H V E -JK 58 91C 0 14,-2.5 14,-1.2 47,-0.1 2,-0.6 -0.983 13.4-148.9-129.0 136.5 11.9 2.8 11.8 45 32 H M E -JK 57 90C 0 45,-2.3 45,-2.4 -2,-0.4 2,-0.7 -0.922 9.8-147.3-100.0 118.4 11.9 -0.5 9.9 46 33 H L E -JK 56 89C 1 10,-2.7 9,-4.2 -2,-0.6 10,-1.2 -0.784 26.0-167.7 -82.4 117.7 15.3 -2.0 9.2 47 34 H F E -JK 54 88C 0 41,-2.6 41,-2.4 -2,-0.7 2,-0.3 -0.939 17.3-133.5-114.7 125.4 14.8 -3.7 5.8 48 35 H R E > -JK 53 87C 73 5,-3.9 5,-0.6 -2,-0.5 39,-0.2 -0.555 10.2-149.3 -74.5 139.8 17.2 -6.2 4.2 49 36 H K T 5S+ 0 0 41 37,-1.9 -1,-0.1 1,-0.3 38,-0.1 0.986 78.8 40.2 -69.4 -75.7 17.9 -5.5 0.5 50 36AH S T 5S+ 0 0 90 1,-0.3 -1,-0.3 36,-0.3 2,-0.1 -0.953 126.5 25.5-123.7 118.9 18.5 -9.0 -0.9 51 37 H P T 5S- 0 0 76 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.577 103.9-132.3 -72.9 147.4 16.6 -11.0 0.2 52 38 H Q T 5 + 0 0 58 -2,-0.1 231,-0.4 231,-0.1 2,-0.3 -0.566 53.2 136.1 -72.3 103.1 14.1 -8.2 0.9 53 39 H E E < -J 48 0C 71 -2,-0.9 -5,-3.9 -5,-0.6 2,-0.3 -0.961 61.8 -89.0-148.6 164.2 13.0 -8.8 4.4 54 40 H L E +J 47 0C 29 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.587 38.6 175.9 -71.3 127.6 12.3 -7.3 7.8 55 41 H L E - 0 0 29 -9,-4.2 2,-0.3 1,-0.5 171,-0.2 0.844 53.2 -50.3-100.0 -45.1 15.5 -7.2 9.8 56 42 H b E -J 46 0C 4 -10,-1.2 -10,-2.7 171,-0.1 -1,-0.5 -0.953 53.6 -86.3-170.0 172.9 14.5 -5.4 13.0 57 43 H G E +J 45 0C 2 171,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.440 43.4 165.5 -85.6 170.8 12.9 -2.3 14.5 58 44 H A E -J 44 0C 0 -14,-1.2 -14,-2.5 -2,-0.2 2,-0.3 -0.938 23.6-120.1-175.1 176.0 14.7 1.0 15.1 59 45 H S E -JL 43 67C 0 8,-2.2 8,-2.4 -2,-0.3 2,-0.6 -0.980 12.5-124.0-142.7 148.2 13.9 4.6 16.0 60 46 H L E + L 0 66C 0 -18,-1.7 86,-2.3 -2,-0.3 6,-0.2 -0.803 29.2 166.8 -90.1 116.8 14.4 8.1 14.6 61 47 H I - 0 0 23 4,-2.5 2,-0.3 -2,-0.6 5,-0.2 0.540 69.6 -7.0-111.9 -11.4 16.1 10.4 17.0 62 48 H S S S- 0 0 39 3,-1.2 3,-0.3 85,-0.1 -1,-0.2 -0.945 88.9 -78.1-161.0-174.0 16.9 13.2 14.6 63 49 H D S S+ 0 0 76 -2,-0.3 74,-3.4 1,-0.2 72,-0.1 0.648 129.7 22.1 -71.8 -8.1 16.7 14.0 10.9 64 50 H R S S+ 0 0 60 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.403 108.7 81.4-133.6 3.8 19.9 11.9 10.2 65 51 H W E - M 0 132C 13 -3,-0.3 -4,-2.5 67,-0.2 -3,-1.2 -0.957 46.8-173.6-126.0 134.5 20.2 9.5 13.1 66 52 H V E -LM 60 131C 0 65,-2.7 65,-2.1 -2,-0.4 2,-0.4 -0.973 11.3-151.5-122.0 133.9 18.6 6.1 13.8 67 53 H L E +LM 59 130C 0 -8,-2.4 -8,-2.2 -2,-0.4 2,-0.2 -0.847 28.1 145.8-106.7 137.0 18.9 4.1 17.0 68 54 H T E - M 0 129C 0 61,-2.5 61,-2.2 -2,-0.4 2,-0.4 -0.828 50.6 -70.4-150.9-173.7 18.6 0.3 17.2 69 55 H A > - 0 0 0 -12,-0.4 3,-1.8 59,-0.2 4,-0.4 -0.723 32.8-133.6 -87.6 137.5 20.0 -2.8 19.0 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-2.1 0.880 105.8 64.6 -53.8 -35.2 23.6 -3.8 18.3 71 57 H H G 34 S+ 0 0 22 1,-0.3 -1,-0.3 2,-0.2 157,-0.0 0.691 90.7 65.7 -68.8 -13.8 22.4 -7.4 17.9 72 58 H b G <4 S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.733 118.5 22.5 -71.3 -24.0 20.4 -6.3 14.9 73 59 H L T <4 S+ 0 0 2 -3,-2.1 9,-1.5 -4,-0.4 2,-0.4 0.707 128.3 36.1-114.9 -31.8 23.6 -5.6 13.1 74 60 H L E < +P 81 0D 38 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.976 52.9 136.9-135.7 118.3 26.3 -7.7 14.8 75 60AH Y E > > -P 80 0D 54 5,-3.0 3,-2.2 -2,-0.4 5,-1.6 -0.455 22.1-174.7-158.4 79.7 26.0 -11.2 16.2 76 60BH P G > 5S+ 0 0 42 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.742 76.8 68.7 -53.8 -34.3 28.9 -13.4 15.3 77 60CH P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.757 112.5 35.2 -57.4 -18.9 27.6 -16.7 16.8 78 60DH W G < 5S- 0 0 195 -3,-2.2 0, 0.0 2,-0.1 0, 0.0 0.109 119.5-111.2-116.5 15.1 25.0 -16.7 14.1 79 60EH D T < 5 + 0 0 150 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.862 63.9 155.2 48.6 44.9 27.4 -15.2 11.5 80 60FH K E < +P 75 0D 49 -5,-1.6 -5,-3.0 1,-0.1 -1,-0.2 -0.899 5.3 140.6 -97.6 122.9 25.5 -11.9 11.5 81 60GH N E -P 74 0D 121 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.1 -0.327 29.2-167.3-160.2 67.1 27.6 -8.8 10.4 82 60HH F - 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