==== 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 1YPM . 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) . 12756.0 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 . 78 27.2 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 . 2 0.7 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 . 32 11.1 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 1 0 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 0 122 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.6 13.6 20.6 20.0 2 1AL D > + 0 0 77 144,-0.1 3,-1.5 3,-0.0 145,-0.1 0.140 360.0 136.4-110.0 11.8 10.3 19.4 18.5 3 1 L a T 3 + 0 0 30 1,-0.2 143,-0.3 143,-0.1 144,-0.1 -0.204 63.8 19.9 -53.3 145.7 11.4 15.9 19.3 4 2 L G T 3 S+ 0 0 0 141,-3.4 237,-1.5 1,-0.2 2,-0.6 0.521 92.8 112.3 83.5 -5.0 8.7 13.6 20.8 5 3 L L < - 0 0 34 -3,-1.5 -1,-0.2 140,-0.3 235,-0.1 -0.910 59.9-143.8-111.4 109.7 5.8 15.7 19.7 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.1 1,-0.1 3,-1.4 -0.557 7.2-140.8 -80.1 130.9 3.7 13.8 17.1 7 5 L P T 3 5S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.814 103.5 43.9 -49.0 -38.7 2.1 15.8 14.3 8 6 L L T 3 5S+ 0 0 28 133,-0.4 31,-0.1 30,-0.3 -2,-0.1 0.434 130.6 17.9 -93.9 0.0 -1.1 13.8 14.4 9 7 L F T X >S+ 0 0 14 -3,-1.4 5,-2.5 29,-0.1 3,-1.2 0.395 128.3 25.1-132.1 -88.4 -1.4 13.8 18.2 10 8 L E G > 5S+ 0 0 30 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.874 121.4 53.2 -52.1 -47.2 0.5 16.2 20.5 11 9 L K G 3 > S+ 0 0 42 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.483 84.7 98.6-126.3 1.3 -3.9 4.0 25.0 19 14CL E H 3> S+ 0 0 13 -3,-0.4 4,-2.0 1,-0.3 3,-0.4 0.842 80.7 65.9 -61.2 -24.3 -1.5 6.8 26.1 20 14DL R H 3> S+ 0 0 123 -4,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.890 92.6 60.0 -59.1 -40.0 -3.8 7.4 29.1 21 14EL E H <> S+ 0 0 41 -3,-1.2 4,-0.8 1,-0.2 -1,-0.2 0.888 105.7 49.0 -57.7 -34.1 -2.9 3.9 30.4 22 14FL L H >X S+ 0 0 1 -4,-0.9 3,-0.9 -3,-0.4 4,-0.6 0.969 109.9 50.0 -68.5 -49.6 0.7 5.1 30.5 23 14GL L H >< S+ 0 0 67 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.899 106.0 55.6 -53.3 -46.2 -0.1 8.3 32.3 24 14HL E H 3< S+ 0 0 130 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.784 104.7 55.5 -65.7 -20.1 -2.2 6.5 35.0 25 14IL S H << S+ 0 0 12 -3,-0.9 2,-1.3 -4,-0.8 -1,-0.3 0.640 85.4 87.2 -85.2 -12.0 0.9 4.4 35.7 26 14JL Y << 0 0 24 -3,-1.7 -1,-0.1 -4,-0.6 131,-0.0 -0.669 360.0 360.0 -89.2 95.3 3.1 7.4 36.4 27 14KL I 0 0 168 -2,-1.3 -2,-0.1 0, 0.0 -1,-0.0 0.112 360.0 360.0 -95.7 360.0 2.4 7.9 40.1 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 0.000 360.0 360.0 360.0 127.2 4.7 -8.1 19.0 30 17 H V B +A 221 0A 9 191,-3.0 191,-1.5 1,-0.2 143,-0.1 -0.837 360.0 0.5-103.5 135.4 2.6 -10.7 20.8 31 18 H E S S+ 0 0 122 141,-0.5 -1,-0.2 -2,-0.5 188,-0.2 0.862 103.3 117.8 61.5 34.9 -0.7 -9.8 22.4 32 19 H G - 0 0 30 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.151 56.8-118.6-105.8-149.7 -0.5 -6.2 21.3 33 20 H S E -B 184 0B 58 151,-2.3 151,-2.7 -2,-0.1 2,-0.1 -0.962 34.5 -72.8-148.6 163.2 -2.8 -4.3 18.9 34 21 H D E -B 183 0B 101 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.437 51.7-118.5 -56.8 133.2 -2.7 -2.4 15.6 35 22 H A - 0 0 8 147,-2.9 2,-0.3 59,-0.1 -1,-0.1 -0.295 24.8-118.7 -56.6 149.3 -0.9 1.0 15.7 36 23 H E > - 0 0 41 1,-0.1 3,-1.9 -2,-0.0 4,-0.3 -0.659 44.7 -83.0 -82.7 152.3 -2.9 4.1 14.9 37 24 H I T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.3 57,-0.1 -0.396 116.9 5.2 -57.0 126.2 -1.8 6.2 11.9 38 25 H G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.585 92.0 126.8 73.7 12.0 1.1 8.5 13.0 39 26 H M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.3 -23,-0.1 0.744 84.6 20.9 -69.9 -27.9 1.1 6.9 16.5 40 27 H S > + 0 0 11 -4,-0.3 3,-2.7 102,-0.1 -1,-0.3 -0.518 69.1 165.9-141.3 66.0 4.9 6.2 16.3 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.8 0, 0.0 51,-0.2 0.585 76.6 60.9 -68.1 -7.5 6.3 8.5 13.7 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 104,-0.1 0.419 77.4 123.6 -88.1 -4.7 9.9 7.7 14.9 43 30 H Q E < -J 59 0C 3 -3,-2.7 49,-1.0 16,-0.2 2,-0.4 -0.400 43.0-169.3 -65.8 132.4 9.3 4.1 14.0 44 31 H V E -JK 58 91C 0 14,-2.5 14,-1.2 47,-0.2 2,-0.5 -0.937 13.8-147.5-122.6 144.0 12.0 2.8 11.6 45 32 H M E -JK 57 90C 0 45,-1.8 45,-2.5 -2,-0.4 2,-0.6 -0.949 8.4-147.6-110.2 124.1 12.1 -0.5 9.7 46 33 H L E -JK 56 89C 2 10,-3.2 9,-3.6 -2,-0.5 10,-1.2 -0.827 25.7-167.1 -86.7 122.5 15.5 -2.0 9.0 47 34 H F E -JK 54 88C 0 41,-2.8 41,-2.0 -2,-0.6 2,-0.4 -0.958 18.8-131.7-124.9 125.2 15.0 -3.8 5.7 48 35 H R E > -JK 53 87C 80 5,-3.2 5,-0.9 -2,-0.5 39,-0.2 -0.617 11.3-149.2 -75.3 130.3 17.3 -6.3 4.0 49 36 H K T 5S+ 0 0 32 37,-1.9 3,-0.3 -2,-0.4 -1,-0.1 0.941 79.6 41.6 -60.1 -56.9 18.0 -5.5 0.3 50 36AH S T 5S+ 0 0 83 36,-0.4 -1,-0.3 1,-0.4 2,-0.1 -0.892 123.2 24.7-147.2 117.8 18.4 -9.1 -0.9 51 37 H P T 5S- 0 0 80 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.470 103.8-130.0 -73.9 139.8 16.5 -11.1 0.1 52 38 H Q T 5 + 0 0 70 -3,-0.3 230,-0.3 -2,-0.1 2,-0.3 -0.451 56.1 130.3 -65.7 103.3 14.1 -8.3 0.7 53 39 H E E < -J 48 0C 76 -5,-0.9 -5,-3.2 -2,-0.8 2,-0.4 -0.925 64.6 -80.5-147.8 171.2 13.0 -9.0 4.2 54 40 H L E +J 47 0C 27 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.634 39.2 175.8 -75.5 128.2 12.4 -7.4 7.6 55 41 H L E - 0 0 26 -9,-3.6 2,-0.3 1,-0.4 -8,-0.2 0.824 55.5 -53.5 -96.6 -36.0 15.8 -7.2 9.5 56 42 H b E -J 46 0C 1 -10,-1.2 -10,-3.2 170,-0.1 -1,-0.4 -0.950 52.5 -88.9 174.7 168.3 14.8 -5.3 12.6 57 43 H G E +J 45 0C 2 170,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.484 41.1 171.2 -94.0 175.5 13.1 -2.3 14.1 58 44 H A E -J 44 0C 0 -14,-1.2 -14,-2.5 -2,-0.2 2,-0.3 -0.915 24.2-114.6-170.8 175.8 14.8 1.0 14.8 59 45 H S E -JL 43 67C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.6 -0.983 15.0-128.8-132.5 140.5 14.1 4.6 15.8 60 46 H L E + L 0 66C 0 -18,-2.4 86,-2.1 -2,-0.3 6,-0.2 -0.753 29.6 168.2 -85.3 118.8 14.5 8.0 14.2 61 47 H I - 0 0 23 4,-2.6 2,-0.3 -2,-0.6 5,-0.2 0.567 67.0 -10.7-113.5 -5.5 16.4 10.4 16.5 62 48 H S S S- 0 0 39 3,-1.1 -1,-0.2 85,-0.1 75,-0.1 -0.926 88.3 -77.5-168.7-171.5 17.1 13.2 14.1 63 49 H D S S+ 0 0 73 -2,-0.3 74,-3.0 1,-0.2 72,-0.1 0.648 130.3 22.4 -81.9 -1.8 16.9 13.9 10.4 64 50 H R S S+ 0 0 52 72,-0.2 69,-2.5 1,-0.1 2,-0.5 0.333 108.8 79.9-136.1 2.2 20.1 11.9 9.8 65 51 H W E - M 0 132C 13 67,-0.2 -4,-2.6 -3,-0.1 -3,-1.1 -0.965 48.6-174.4-124.4 133.3 20.5 9.5 12.8 66 52 H V E -LM 60 131C 0 65,-2.6 65,-1.9 -2,-0.5 2,-0.4 -0.970 12.2-149.8-120.5 131.8 18.7 6.2 13.4 67 53 H L E +LM 59 130C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.811 27.8 145.9-107.5 143.1 19.1 4.2 16.6 68 54 H T E - M 0 129C 0 61,-2.5 61,-1.9 -2,-0.4 2,-0.4 -0.850 50.6 -72.2-152.5-176.4 18.8 0.4 16.9 69 55 H A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.2 4,-0.5 -0.756 34.3-133.6 -86.9 138.8 20.1 -2.7 18.7 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-2.0 0.877 105.1 66.3 -57.9 -36.0 23.7 -3.7 17.9 71 57 H H G 34 S+ 0 0 13 1,-0.3 -1,-0.3 2,-0.2 156,-0.0 0.687 89.2 68.4 -61.6 -18.9 22.5 -7.3 17.6 72 58 H b G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.782 116.6 22.1 -66.5 -28.4 20.5 -6.2 14.6 73 59 H L T <4 S+ 0 0 1 -3,-2.0 9,-3.4 -4,-0.5 2,-0.4 0.701 129.9 39.6-110.7 -23.3 23.8 -5.6 12.7 74 60 H L E < +P 81 0D 34 -4,-2.8 -1,-0.2 7,-0.2 7,-0.2 -0.923 53.1 134.0-139.8 113.8 26.3 -7.8 14.5 75 60AH Y E > > -P 80 0D 54 5,-3.1 5,-2.4 -2,-0.4 3,-1.8 -0.587 21.4-175.4-154.7 85.5 25.8 -11.3 16.0 76 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.818 79.6 66.3 -53.3 -40.4 28.6 -13.7 15.2 77 60CH P G 3 5S+ 0 0 70 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.768 113.8 35.1 -56.7 -23.6 27.0 -16.8 16.8 78 60DH W G < 5S- 0 0 179 -3,-1.8 3,-0.1 2,-0.1 -3,-0.0 0.036 118.7-110.1-111.5 15.5 24.4 -16.6 14.1 79 60EH D T < 5 + 0 0 155 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.881 66.2 152.5 56.2 35.8 26.8 -15.3 11.4 80 60FH K E < +P 75 0D 38 -5,-2.4 -5,-3.1 2,-0.0 -1,-0.2 -0.886 4.9 139.3 -97.5 122.3 25.2 -11.9 11.4 81 60GH N E -P 74 0D 116 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.659 27.7-172.5-152.6 91.0 27.4 -9.0 10.4 82 60HH F - 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