==== 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 HYDROLASE/HYDROLASE INHIBITOR 01-DEC-07 3BIV . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GERLACH,M.SMOLINSKI,H.STEUBER,C.A.SOTRIFFER,A.HEINE,D.G.HA . 289 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.9 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 26.3 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 . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.3 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 . 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 1CL E 0 0 98 0, 0.0 2,-3.9 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 13.2 14.9 18.7 18.0 2 1BL A + 0 0 93 1,-0.3 147,-0.0 3,-0.0 0, 0.0 0.334 360.0 58.4 42.7 -13.9 13.2 21.0 20.6 3 1AL D S > S+ 0 0 56 -2,-3.9 3,-1.2 145,-0.1 -1,-0.3 0.122 79.6 139.5-120.0 13.6 10.0 19.6 19.1 4 1 L a T 3 + 0 0 24 1,-0.2 144,-0.2 144,-0.1 145,-0.1 -0.238 63.2 17.6 -59.2 146.5 10.8 15.9 19.8 5 2 L G T 3 S+ 0 0 0 142,-3.1 238,-1.7 1,-0.2 2,-0.6 0.575 90.7 115.8 76.1 9.1 8.2 13.6 21.1 6 3 L L < - 0 0 40 -3,-1.2 -1,-0.2 141,-0.3 236,-0.1 -0.965 59.4-142.7-110.4 111.0 5.2 15.7 20.0 7 4 L R > > - 0 0 0 -2,-0.6 5,-2.6 1,-0.1 3,-1.4 -0.602 6.7-141.8 -85.1 129.4 3.2 13.9 17.4 8 5 L P T 3 5S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.864 103.8 45.2 -51.9 -39.5 1.7 15.9 14.6 9 6 L L T 3 5S+ 0 0 28 134,-0.4 32,-0.1 31,-0.3 134,-0.0 0.523 130.1 15.9 -91.8 1.6 -1.4 13.8 14.6 10 7 L F T X >S+ 0 0 15 -3,-1.4 5,-2.7 30,-0.1 3,-1.3 0.446 128.6 25.5-130.9 -89.2 -1.9 13.8 18.4 11 8 L E G > 5S+ 0 0 31 1,-0.3 3,-1.5 3,-0.2 -5,-0.1 0.869 118.9 57.3 -51.8 -44.5 -0.1 16.2 20.8 12 9 L K G 3 - 0 0 8 -2,-0.4 3,-0.5 24,-0.1 4,-0.4 -0.196 37.0 -95.3 -79.9 175.1 -4.6 8.1 21.1 18 14AL K T 3 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.1 4,-0.0 0.723 113.9 24.3 -72.3 -19.3 -6.7 5.2 22.4 19 14BL T T >> S+ 0 0 42 2,-0.1 4,-1.0 1,-0.1 3,-0.9 0.309 86.0 100.3-128.6 6.5 -4.5 3.8 25.2 20 14CL E H <> S+ 0 0 18 -3,-0.5 4,-2.1 1,-0.2 3,-0.3 0.873 78.2 64.6 -64.8 -26.5 -2.2 6.6 26.3 21 14DL R H 3> S+ 0 0 169 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.865 93.8 62.4 -62.6 -28.4 -4.5 7.2 29.3 22 14EL E H <> S+ 0 0 52 -3,-0.9 4,-1.0 2,-0.2 -1,-0.2 0.915 104.5 46.5 -59.4 -43.8 -3.4 3.7 30.5 23 14FL L H >X S+ 0 0 1 -4,-1.0 3,-1.4 -3,-0.3 4,-0.8 0.975 110.8 52.4 -63.9 -47.3 0.1 4.9 30.8 24 14GL L H >< S+ 0 0 93 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.869 105.6 54.1 -56.8 -39.4 -0.9 8.1 32.5 25 14HL E H 3< S+ 0 0 129 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.752 105.9 54.3 -69.9 -19.1 -2.9 6.2 35.2 26 14IL S H << S+ 0 0 16 -3,-1.4 2,-2.0 -4,-1.0 -1,-0.2 0.617 86.4 83.1 -86.6 -13.9 0.2 4.1 35.9 27 14JL Y << + 0 0 12 -3,-0.9 -1,-0.2 -4,-0.8 137,-0.1 -0.507 60.3 169.0 -86.5 70.6 2.3 7.2 36.6 28 14KL I 0 0 132 -2,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.411 360.0 360.0 -74.7 3.1 1.0 7.4 40.1 29 14LL D 0 0 144 129,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.687 360.0 360.0-106.3 360.0 3.5 10.0 41.5 30 !* 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 31 16 H I > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 118.8 4.4 -8.1 19.3 32 17 H V B 3 -A 223 0A 10 191,-2.5 191,-1.3 1,-0.2 143,-0.1 -0.793 360.0 -1.2 -93.6 131.0 2.4 -10.7 21.0 33 18 H E T 3 S+ 0 0 116 141,-0.5 -1,-0.2 -2,-0.5 188,-0.2 0.827 101.8 121.3 66.6 31.1 -1.1 -9.9 22.3 34 19 H G < - 0 0 27 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.094 55.5-119.0-101.1-156.4 -0.8 -6.2 21.2 35 20 H S E -B 186 0B 62 151,-2.1 151,-2.6 -2,-0.1 2,-0.1 -0.927 34.2 -74.6-143.1 167.5 -3.1 -4.3 18.8 36 21 H D E -B 185 0B 106 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.417 54.1-119.5 -59.7 136.1 -3.0 -2.5 15.5 37 22 H A - 0 0 6 147,-3.1 2,-0.2 59,-0.1 -1,-0.1 -0.412 23.8-114.2 -72.4 155.8 -1.4 0.9 15.9 38 23 H E > - 0 0 48 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.520 45.3 -85.7 -77.0 157.6 -3.3 4.1 15.1 39 24 H I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.448 116.0 7.7 -61.8 128.7 -2.1 6.2 12.1 40 25 H G T 3 S+ 0 0 11 -2,-0.2 -31,-0.3 104,-0.1 -1,-0.3 0.606 92.6 125.6 76.3 6.9 0.7 8.6 13.3 41 26 H M S < S+ 0 0 5 -3,-1.8 -2,-0.1 1,-0.3 -24,-0.1 0.803 84.3 18.3 -67.7 -32.6 0.8 6.9 16.7 42 27 H S S > S+ 0 0 12 -4,-0.3 3,-2.2 102,-0.1 -1,-0.3 -0.599 70.1 165.2-140.4 68.4 4.5 6.2 16.6 43 28 H P T 3 S+ 0 0 4 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.537 74.0 63.8 -75.7 -2.9 6.0 8.4 13.9 44 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 2,-0.2 0.413 76.7 122.7 -90.0 -2.9 9.5 7.8 15.2 45 30 H Q E < -J 61 0C 2 -3,-2.2 49,-0.9 16,-0.2 50,-0.4 -0.447 43.2-168.6 -66.5 128.4 9.1 4.1 14.3 46 31 H V E -JK 60 93C 0 14,-2.7 14,-1.1 -2,-0.2 2,-0.6 -0.938 14.1-150.4-117.9 141.0 11.8 2.9 11.9 47 32 H M E -JK 59 92C 0 45,-2.5 45,-3.1 -2,-0.4 2,-0.6 -0.958 11.3-147.9-102.7 121.0 11.9 -0.4 9.9 48 33 H L E -JK 58 91C 0 10,-2.6 9,-3.0 -2,-0.6 10,-1.3 -0.806 24.8-164.5 -82.7 123.1 15.4 -1.6 9.2 49 34 H F E -JK 56 90C 1 41,-3.2 41,-1.9 -2,-0.6 2,-0.3 -0.932 17.2-129.8-122.5 129.3 15.0 -3.4 5.9 50 35 H R E > -JK 55 89C 74 5,-2.8 5,-0.7 -2,-0.5 39,-0.2 -0.561 11.1-150.3 -79.3 134.5 17.4 -5.9 4.2 51 36 H K T 5S+ 0 0 41 37,-2.1 3,-0.3 -2,-0.3 -1,-0.1 0.941 78.4 46.5 -69.1 -49.2 18.2 -5.0 0.6 52 36AH S T 5S+ 0 0 79 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.875 123.2 19.6-150.5 113.5 18.8 -8.6 -0.6 53 37 H P T 5S- 0 0 80 0, 0.0 2,-0.9 0, 0.0 -1,-0.5 0.484 101.1-125.1 -82.3 155.2 16.9 -10.5 0.1 54 38 H Q T 5 + 0 0 67 -3,-0.3 2,-0.3 -2,-0.1 230,-0.3 -0.460 56.4 136.2 -70.2 101.3 14.2 -8.0 0.9 55 39 H E E < -J 50 0C 75 -2,-0.9 -5,-2.8 -5,-0.7 2,-0.4 -0.928 62.8 -91.2-139.4 163.9 13.2 -8.9 4.5 56 40 H L E +J 49 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.654 40.0 178.0 -69.3 126.6 12.4 -7.2 7.8 57 41 H L E - 0 0 23 -9,-3.0 2,-0.3 1,-0.4 170,-0.2 0.834 52.2 -52.7 -96.3 -46.8 15.7 -7.0 9.7 58 42 H b E -J 48 0C 3 -10,-1.3 -10,-2.6 170,-0.1 -1,-0.4 -0.959 51.8 -86.4-172.8 174.6 14.6 -5.2 12.8 59 43 H G E +J 47 0C 3 170,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.418 42.1 165.3 -90.4 173.3 12.9 -2.2 14.4 60 44 H A E -J 46 0C 0 -14,-1.1 -14,-2.7 -2,-0.2 2,-0.3 -0.914 24.4-122.3-173.7 176.3 14.6 1.1 15.2 61 45 H S E -JL 45 69C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.987 14.8-121.6-141.5 150.4 13.7 4.7 16.1 62 46 H L E + L 0 68C 0 -18,-2.2 86,-2.3 -2,-0.3 6,-0.2 -0.745 30.4 167.5 -89.3 123.0 14.2 8.2 14.7 63 47 H I - 0 0 22 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.449 69.3 -5.8-117.3 -2.2 15.9 10.5 17.1 64 48 H S S S- 0 0 21 3,-1.1 -1,-0.2 85,-0.1 84,-0.1 -0.940 88.8 -80.3-166.3-171.8 16.8 13.4 14.8 65 49 H D S S+ 0 0 64 -2,-0.3 74,-2.8 1,-0.2 3,-0.1 0.671 129.1 22.6 -80.1 -6.2 16.5 14.2 11.1 66 50 H R S S+ 0 0 64 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.481 108.0 78.6-133.3 4.9 19.7 12.2 10.5 67 51 H W E - M 0 134C 19 67,-0.2 -4,-2.4 65,-0.0 -3,-1.1 -0.972 49.1-170.9-124.8 133.8 20.2 9.7 13.3 68 52 H V E -LM 62 133C 0 65,-2.4 65,-2.2 -2,-0.4 2,-0.4 -0.946 11.2-149.6-119.0 134.0 18.4 6.4 13.9 69 53 H L E +LM 61 132C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.855 29.2 146.2-104.6 137.9 18.8 4.3 17.1 70 54 H T E - M 0 131C 0 61,-2.5 61,-1.9 -2,-0.4 2,-0.4 -0.813 50.6 -72.8-149.6-169.0 18.5 0.5 17.2 71 55 H A > - 0 0 0 -12,-0.4 3,-1.9 59,-0.3 4,-0.4 -0.806 33.0-134.2 -93.5 138.2 19.9 -2.6 19.0 72 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-2.4 0.871 104.9 65.0 -56.6 -37.4 23.5 -3.6 18.2 73 57 H H G 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.687 89.4 68.6 -64.3 -14.9 22.4 -7.2 17.8 74 58 H b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.680 117.1 22.8 -68.6 -21.1 20.4 -6.1 14.7 75 59 H L T <4 S+ 0 0 1 -3,-2.4 9,-3.3 -4,-0.4 2,-0.4 0.790 130.2 34.1-114.0 -38.2 23.7 -5.4 13.1 76 60 H L E < +P 83 0D 33 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.972 55.6 136.9-130.2 109.5 26.3 -7.6 14.8 77 60AH Y E > > -P 82 0D 48 5,-3.4 3,-2.4 -2,-0.4 5,-1.9 -0.474 20.8-178.1-150.2 78.7 25.7 -11.0 16.2 78 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.772 75.9 69.1 -56.9 -29.9 28.5 -13.4 15.4 79 60CH P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.823 112.6 35.3 -59.2 -22.3 27.0 -16.6 17.0 80 60DH W G < 5S- 0 0 179 -3,-2.4 3,-0.1 2,-0.1 -3,-0.0 0.134 119.0-111.9-110.0 18.4 24.4 -16.4 14.2 81 60EH D T < 5 + 0 0 150 -3,-2.3 2,-0.7 1,-0.2 -5,-0.0 0.762 65.2 152.9 59.2 28.1 26.9 -15.1 11.6 82 60FH K E < +P 77 0D 42 -5,-1.9 -5,-3.4 -9,-0.0 -1,-0.2 -0.814 3.1 145.4 -95.6 123.2 25.1 -11.8 11.5 83 60GH N E -P 76 0D 110 -2,-0.7 2,-0.4 -7,-0.2 -7,-0.2 -0.712 22.2-175.3-152.1 94.4 27.4 -8.8 10.5 84 60HH F - 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