==== 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 1YPE . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.FOKKENS,U.OBST-SANDER,A.HEINE,F.DIEDERICH,G.KLEBE . 287 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.3 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 . 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 . 22 7.7 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 . 28 9.8 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 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.5 13.3 21.1 20.1 2 1AL D > + 0 0 77 144,-0.0 3,-1.4 2,-0.0 145,-0.1 0.221 360.0 141.6 -96.3 3.5 10.1 19.5 18.9 3 1 L a T 3 + 0 0 35 1,-0.2 143,-0.3 143,-0.1 144,-0.1 -0.141 65.3 15.5 -51.3 144.7 11.1 15.9 19.7 4 2 L G T 3 S+ 0 0 0 141,-3.3 237,-2.0 1,-0.2 2,-0.6 0.534 91.3 114.3 75.6 5.0 8.4 13.6 21.1 5 3 L L < - 0 0 35 -3,-1.4 -1,-0.2 140,-0.3 235,-0.1 -0.961 61.4-140.8-109.1 111.8 5.4 15.7 20.0 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.5 -0.564 5.9-139.2 -80.2 130.4 3.4 13.8 17.4 7 5 L P T 3 5S+ 0 0 19 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.879 104.4 43.0 -51.0 -39.0 1.9 15.8 14.5 8 6 L L T 3 5S+ 0 0 31 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.474 130.2 18.1 -95.9 5.0 -1.3 13.8 14.6 9 7 L F T X>>S+ 0 0 14 -3,-1.5 5,-2.3 29,-0.1 3,-1.2 0.405 127.2 26.3-132.6 -89.1 -1.7 13.7 18.4 10 8 L E G >45S+ 0 0 30 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.856 120.8 54.0 -54.7 -39.3 0.1 16.1 20.8 11 9 L K G 34> S+ 0 0 40 2,-0.1 3,-1.2 1,-0.1 4,-0.9 0.394 86.0 102.4-132.7 6.1 -4.3 3.8 25.1 19 14CL E H 3> S+ 0 0 13 -3,-0.3 4,-1.9 1,-0.3 3,-0.4 0.837 79.2 64.0 -61.4 -26.1 -2.0 6.6 26.2 20 14DL R H 3> S+ 0 0 132 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.854 92.3 62.9 -68.4 -26.2 -4.2 7.1 29.2 21 14EL E H <> S+ 0 0 51 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.893 104.7 47.4 -56.4 -41.7 -3.2 3.6 30.4 22 14FL L H >X S+ 0 0 1 -4,-0.9 3,-0.9 -3,-0.4 4,-0.8 0.952 109.9 52.1 -65.2 -47.8 0.4 4.9 30.7 23 14GL L H >< S+ 0 0 90 -4,-1.9 3,-1.2 1,-0.3 -2,-0.2 0.910 106.0 54.3 -55.2 -43.3 -0.7 8.0 32.5 24 14HL E H 3< S+ 0 0 132 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.781 105.1 54.8 -64.4 -22.8 -2.7 6.0 35.1 25 14IL S H << S+ 0 0 15 -4,-0.9 2,-1.6 -3,-0.9 -1,-0.3 0.678 84.9 88.2 -83.6 -18.3 0.5 4.0 35.8 26 14JL Y << 0 0 25 -3,-1.2 -1,-0.2 -4,-0.8 136,-0.1 -0.631 360.0 360.0 -85.7 82.0 2.5 7.1 36.6 27 14KL I 0 0 173 -2,-1.6 -2,-0.1 0, 0.0 -1,-0.1 0.402 360.0 360.0-100.2 360.0 1.6 7.3 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,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.7 4.5 -8.0 19.1 30 17 H V B +A 221 0A 9 191,-2.5 191,-1.3 1,-0.2 143,-0.1 -0.847 360.0 2.5 -98.8 131.6 2.4 -10.7 20.8 31 18 H E S S+ 0 0 118 -2,-0.4 -1,-0.2 141,-0.4 188,-0.2 0.843 102.5 117.5 65.1 36.6 -1.0 -9.8 22.4 32 19 H G - 0 0 29 -3,-0.4 2,-0.3 153,-0.1 153,-0.2 -0.281 56.2-119.4-108.6-160.8 -0.9 -6.2 21.2 33 20 H S E -B 184 0B 61 151,-2.6 151,-2.2 -2,-0.1 2,-0.1 -0.904 34.3 -73.7-140.1 168.8 -3.1 -4.2 18.8 34 21 H D E -B 183 0B 105 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.440 51.6-121.4 -60.7 137.6 -3.0 -2.3 15.6 35 22 H A - 0 0 6 147,-3.1 2,-0.2 59,-0.1 -1,-0.1 -0.456 23.6-114.8 -74.4 152.9 -1.3 1.0 15.9 36 23 H E > - 0 0 44 -2,-0.1 3,-2.0 1,-0.1 4,-0.3 -0.507 45.4 -83.2 -77.7 156.1 -3.2 4.2 15.0 37 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.413 117.1 5.9 -59.3 129.5 -2.0 6.2 12.0 38 25 H G T 3 S+ 0 0 12 -2,-0.1 -30,-0.3 104,-0.1 -1,-0.3 0.589 91.6 127.2 74.5 9.9 0.8 8.5 13.1 39 26 H M S < S+ 0 0 6 -3,-2.0 -2,-0.1 1,-0.3 -33,-0.1 0.770 83.1 21.7 -68.3 -28.4 0.9 6.9 16.6 40 27 H S > + 0 0 12 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.580 69.4 166.8-139.6 67.0 4.6 6.2 16.5 41 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.579 75.1 61.5 -73.8 -2.0 6.1 8.5 14.0 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 2,-0.2 0.318 76.6 126.0 -95.1 1.4 9.6 7.7 15.1 43 30 H Q E < -J 59 0C 3 -3,-2.4 49,-0.8 16,-0.2 2,-0.4 -0.450 41.3-168.5 -65.3 129.4 9.2 4.1 14.2 44 31 H V E -JK 58 91C 0 14,-2.8 14,-1.3 -2,-0.2 2,-0.5 -0.947 12.3-151.8-120.0 139.1 11.9 2.8 11.9 45 32 H M E -JK 57 90C 0 45,-2.3 45,-2.6 -2,-0.4 2,-0.6 -0.952 10.3-146.8-104.2 126.1 11.9 -0.5 9.9 46 33 H L E -JK 56 89C 1 10,-2.9 9,-3.0 -2,-0.5 10,-1.4 -0.882 24.2-167.1 -89.7 122.5 15.4 -2.0 9.1 47 34 H F E -JK 54 88C 0 41,-2.6 41,-2.7 -2,-0.6 2,-0.3 -0.971 17.7-134.0-121.5 124.4 14.9 -3.7 5.8 48 35 H R E > -JK 53 87C 81 5,-3.0 5,-1.0 -2,-0.4 39,-0.2 -0.593 10.2-148.9 -73.8 137.4 17.3 -6.1 4.1 49 36 H K T 5S+ 0 0 45 37,-1.9 -1,-0.1 -2,-0.3 38,-0.1 0.972 79.1 48.2 -69.6 -61.5 18.0 -5.3 0.5 50 36AH S T 5S+ 0 0 106 36,-0.4 -1,-0.3 1,-0.3 2,-0.2 -0.951 122.8 19.4-134.3 120.5 18.6 -8.9 -0.7 51 37 H P T 5S- 0 0 76 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.620 104.7-124.8 -75.1 156.9 16.6 -11.0 0.1 52 38 H Q T 5 + 0 0 61 -2,-0.2 230,-0.3 -3,-0.1 2,-0.3 -0.572 55.9 131.6 -78.6 112.1 14.1 -8.3 0.9 53 39 H E E < -J 48 0C 66 -5,-1.0 -5,-3.0 -2,-0.7 2,-0.5 -0.984 62.8 -87.5-156.2 163.7 13.0 -8.7 4.4 54 40 H L E +J 47 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.678 38.4 173.9 -73.0 119.6 12.3 -7.2 7.8 55 41 H L E - 0 0 28 -9,-3.0 2,-0.3 -2,-0.5 170,-0.2 0.818 55.3 -50.6 -93.2 -39.0 15.5 -7.2 9.8 56 42 H b E -J 46 0C 2 -10,-1.4 -10,-2.9 170,-0.1 -1,-0.4 -0.972 53.5 -87.7-178.8 171.8 14.5 -5.3 12.9 57 43 H G E +J 45 0C 2 170,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.465 40.2 168.9 -95.5 174.9 13.0 -2.2 14.3 58 44 H A E -J 44 0C 0 -14,-1.3 -14,-2.8 -2,-0.2 2,-0.3 -0.933 23.6-114.4-172.4 178.5 14.7 1.0 15.1 59 45 H S E -JL 43 67C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.982 13.0-128.5-137.6 140.9 13.9 4.6 16.1 60 46 H L E + L 0 66C 0 -18,-2.0 86,-2.0 -2,-0.3 6,-0.2 -0.815 29.5 166.0 -87.8 118.6 14.3 8.1 14.6 61 47 H I - 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.495 69.4 -7.9-111.0 -5.7 16.1 10.4 17.0 62 48 H S S S- 0 0 37 3,-1.1 3,-0.3 85,-0.1 -1,-0.2 -0.927 89.4 -78.8-164.3-172.3 16.9 13.3 14.6 63 49 H D S S+ 0 0 74 -2,-0.3 74,-3.0 1,-0.2 72,-0.1 0.636 129.1 23.9 -77.8 -4.8 16.7 14.0 10.9 64 50 H R S S+ 0 0 61 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.318 108.3 79.1-135.2 6.5 19.9 11.9 10.2 65 51 H W E - M 0 132C 15 -3,-0.3 -4,-2.3 67,-0.2 -3,-1.1 -0.984 48.4-173.2-131.4 133.5 20.3 9.5 13.2 66 52 H V E -LM 60 131C 0 65,-2.5 65,-2.3 -2,-0.4 2,-0.4 -0.955 12.4-149.3-123.6 133.4 18.6 6.2 13.8 67 53 H L E +LM 59 130C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.866 29.2 145.6-106.5 138.7 18.9 4.2 17.0 68 54 H T E - M 0 129C 0 61,-2.5 61,-2.2 -2,-0.4 2,-0.3 -0.821 49.5 -69.3-152.4-170.8 18.7 0.4 17.2 69 55 H A > - 0 0 0 -12,-0.4 3,-1.5 59,-0.3 4,-0.4 -0.741 32.1-134.0 -91.4 138.9 20.0 -2.7 18.9 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.3 3,-2.0 0.880 106.4 62.2 -55.8 -38.2 23.6 -3.8 18.3 71 57 H H G 34 S+ 0 0 20 1,-0.3 -1,-0.3 2,-0.2 177,-0.0 0.682 90.9 66.8 -68.4 -16.3 22.4 -7.4 17.9 72 58 H b G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.717 117.8 24.0 -67.5 -24.9 20.4 -6.3 14.8 73 59 H L T <4 S+ 0 0 3 -3,-2.0 9,-2.2 -4,-0.4 2,-0.4 0.719 128.3 34.7-112.9 -36.4 23.6 -5.5 13.1 74 60 H L E < +P 81 0D 35 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.981 51.4 138.8-138.4 120.5 26.3 -7.7 14.7 75 60AH Y E > > -P 80 0D 53 5,-2.9 3,-2.3 -2,-0.4 5,-1.6 -0.469 22.1-172.0-158.1 81.1 26.0 -11.2 16.2 76 60BH P G > 5S+ 0 0 47 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.738 79.1 67.5 -53.9 -34.2 29.0 -13.5 15.4 77 60CH P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.807 112.5 35.0 -56.4 -23.4 27.5 -16.7 16.9 78 60DH W G < 5S- 0 0 192 -3,-2.3 3,-0.1 2,-0.1 0, 0.0 0.224 118.5-110.0-114.0 14.7 25.0 -16.6 14.1 79 60EH D T < 5 + 0 0 152 -3,-1.9 2,-0.6 1,-0.2 -5,-0.0 0.809 64.7 155.4 56.0 40.4 27.4 -15.1 11.5 80 60FH K E < +P 75 0D 47 -5,-1.6 -5,-2.9 1,-0.1 -1,-0.2 -0.827 4.3 138.9 -99.4 122.2 25.5 -11.8 11.5 81 60GH N E -P 74 0D 119 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.366 28.4-168.5-158.8 71.2 27.6 -8.8 10.5 82 60HH F - 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