==== 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 26-MAY-94 1TMU . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.P.PRIESTLE,M.G.GRUETTER . 297 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.3 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 . 76 25.6 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 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 1 0 0 2 0 0 0 0 0 0 1 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 0 113 0, 0.0 3,-1.4 0, 0.0 62,-0.0 0.000 360.0 360.0 360.0 145.0 86.9 16.4 23.3 2 1BL A T 3 + 0 0 91 1,-0.3 146,-0.0 146,-0.0 0, 0.0 0.746 360.0 40.3 -57.3 -32.2 87.2 15.8 19.5 3 1AL D T > S+ 0 0 68 144,-0.0 3,-1.5 2,-0.0 -1,-0.3 0.152 86.2 142.8-105.2 11.4 84.1 17.9 18.6 4 1 L a T < + 0 0 14 -3,-1.4 143,-0.2 1,-0.2 3,-0.1 -0.170 62.1 16.4 -55.7 145.5 84.8 20.6 21.1 5 2 L G T 3 S+ 0 0 0 141,-1.6 243,-1.1 1,-0.2 2,-0.6 0.511 88.9 113.1 73.3 5.6 84.0 24.1 20.1 6 3 L L < - 0 0 26 -3,-1.5 -1,-0.2 140,-0.2 241,-0.1 -0.957 60.8-140.7-108.2 120.9 81.8 23.4 17.2 7 4 L R > > - 0 0 0 -2,-0.6 5,-1.8 1,-0.1 3,-1.7 -0.669 4.6-139.1 -85.4 131.7 78.3 24.6 18.1 8 5 L P T 3 5S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.825 102.1 38.4 -52.6 -37.9 75.3 22.4 16.9 9 6 L L T 3 5S+ 0 0 33 133,-0.4 31,-0.1 30,-0.4 133,-0.0 0.469 129.2 25.3 -94.4 -2.1 73.3 25.3 15.9 10 7 L F T X >S+ 0 0 17 -3,-1.7 5,-2.8 29,-0.1 3,-1.5 0.560 128.0 22.8-118.5 -76.1 75.9 27.5 14.5 11 8 L E G > 5S+ 0 0 15 1,-0.3 3,-2.7 3,-0.2 -5,-0.1 0.926 117.7 58.0 -54.3 -60.2 79.0 25.9 13.1 12 9 L K G 3 S+ 0 0 27 2,-0.1 3,-0.7 1,-0.1 4,-0.4 0.509 86.9 98.6-134.2 6.8 77.9 39.1 16.7 20 14CL E T >> S+ 0 0 10 -3,-0.4 4,-1.7 1,-0.2 3,-0.8 0.699 75.0 68.0 -69.9 -20.0 80.7 36.8 15.8 21 14DL R H 3> S+ 0 0 145 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.897 93.5 60.9 -65.9 -32.9 82.0 38.7 12.9 22 14EL E H <4 S+ 0 0 67 -3,-0.7 4,-0.3 1,-0.2 -1,-0.3 0.799 101.8 53.7 -63.4 -22.1 83.1 41.4 15.2 23 14FL L H X> S+ 0 0 0 -3,-0.8 3,-1.9 -4,-0.4 4,-0.6 0.979 110.6 44.9 -70.4 -58.2 85.3 38.9 16.8 24 14GL L H >< S+ 0 0 46 -4,-1.7 3,-1.2 1,-0.3 4,-0.4 0.829 106.8 59.8 -55.5 -39.1 87.0 37.9 13.5 25 14HL E T 3< S+ 0 0 125 -4,-2.8 -1,-0.3 1,-0.3 3,-0.2 0.646 98.3 58.3 -68.1 -13.5 87.4 41.4 12.4 26 14IL S T <4 S+ 0 0 24 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.675 94.5 64.6 -87.6 -15.1 89.5 42.2 15.3 27 14JL Y << 0 0 21 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.647 360.0 360.0 -76.2 -10.5 91.8 39.5 14.3 28 14KL I 0 0 197 -4,-0.4 -2,-0.2 -3,-0.2 -3,-0.1 0.743 360.0 360.0-108.9 360.0 92.5 41.7 11.2 29 !* 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 30 16 H I > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 114.7 77.4 41.3 32.4 31 17 H V B 3 -A 228 0A 9 197,-2.3 197,-1.5 1,-0.2 143,-0.1 -0.732 360.0 -0.6 -89.2 127.9 77.3 45.1 32.2 32 18 H E T 3 S+ 0 0 123 -2,-0.5 -1,-0.2 141,-0.5 194,-0.1 0.841 99.2 124.7 66.5 33.3 76.3 46.5 28.8 33 19 H G < - 0 0 28 -3,-0.6 2,-0.3 159,-0.1 159,-0.2 -0.126 53.3-120.0-101.7-157.0 75.9 43.2 27.0 34 20 H S E -B 191 0B 56 157,-1.7 157,-2.0 -2,-0.1 2,-0.1 -0.876 38.2 -77.0-139.8 169.5 72.9 41.8 25.0 35 21 H D E -B 190 0B 89 -2,-0.3 155,-0.3 155,-0.2 154,-0.1 -0.482 50.9-120.2 -69.2 144.2 70.7 38.8 25.4 36 22 H A - 0 0 5 153,-3.4 2,-0.2 -2,-0.1 -1,-0.1 -0.397 23.2-120.4 -78.7 165.4 72.3 35.8 24.1 37 23 H E > - 0 0 58 1,-0.1 3,-1.3 -2,-0.0 4,-0.2 -0.563 45.3 -75.9 -94.1 166.9 70.8 33.9 21.3 38 24 H I T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.464 112.8 0.7 -66.6 129.1 69.7 30.3 21.8 39 25 H G T 3 S+ 0 0 12 -2,-0.2 -30,-0.4 2,-0.1 -1,-0.3 0.632 89.1 127.2 70.2 15.6 72.5 27.7 21.7 40 26 H M S < S+ 0 0 3 -3,-1.3 -2,-0.1 1,-0.3 -33,-0.1 0.735 83.5 23.6 -71.2 -25.9 75.1 30.4 21.2 41 27 H S > + 0 0 15 -4,-0.2 3,-1.6 102,-0.1 -1,-0.3 -0.608 66.0 166.9-143.4 72.3 77.2 29.1 24.3 42 28 H P T 3 S+ 0 0 1 0, 0.0 103,-1.6 0, 0.0 51,-0.1 0.535 76.2 61.3 -68.6 -9.6 76.3 25.6 24.7 43 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 2,-0.2 0.582 75.2 112.9 -95.0 -7.7 79.3 25.2 27.1 44 30 H Q E < -J 60 0C 4 -3,-1.6 49,-1.0 16,-0.2 2,-0.3 -0.422 47.6-173.8 -62.7 128.9 77.9 27.8 29.6 45 31 H V E -JK 59 92C 0 14,-1.9 14,-1.7 -2,-0.2 2,-0.5 -0.894 18.4-132.0-124.0 153.6 77.0 26.0 32.9 46 32 H M E -JK 58 91C 0 45,-2.1 45,-2.2 -2,-0.3 2,-0.7 -0.948 6.4-147.0-113.6 126.9 75.2 27.4 35.9 47 33 H L E -JK 57 90C 0 10,-2.9 9,-3.2 -2,-0.5 10,-1.2 -0.833 31.3-177.2 -86.8 112.4 76.6 26.9 39.4 48 34 H F E -JK 55 89C 0 41,-2.9 41,-2.2 -2,-0.7 2,-0.4 -0.946 23.2-128.7-123.9 139.6 73.4 26.7 41.6 49 35 H R E > -JK 54 88C 60 5,-3.2 5,-0.6 -2,-0.4 39,-0.2 -0.657 2.2-151.1 -83.8 133.2 72.9 26.4 45.3 50 36 H K T 5S+ 0 0 26 37,-2.4 3,-0.2 -2,-0.4 -1,-0.2 0.977 81.6 52.5 -68.1 -46.5 70.6 23.8 46.6 51 36AH S T 5S+ 0 0 85 36,-0.5 -1,-0.3 1,-0.3 2,-0.2 -0.929 119.8 11.2-150.0 130.6 69.8 26.0 49.7 52 37 H P T 5S- 0 0 76 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.629 102.8-114.3 -71.0 153.4 69.0 28.7 49.7 53 38 H Q T 5 + 0 0 76 -3,-0.2 2,-0.3 -2,-0.2 236,-0.2 -0.362 60.0 141.9 -58.6 112.4 68.3 28.6 45.9 54 39 H E E < -J 49 0C 85 -5,-0.6 -5,-3.2 -2,-0.4 2,-0.5 -0.997 56.3-112.8-156.9 151.2 70.7 31.0 44.5 55 40 H L E -J 48 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.721 32.4-179.5 -79.9 124.6 72.9 31.4 41.4 56 41 H L E - 0 0 13 -9,-3.2 2,-0.3 -2,-0.5 -1,-0.2 0.902 50.2 -49.7 -93.1 -48.4 76.3 31.2 42.6 57 42 H b E -J 47 0C 2 -10,-1.2 -10,-2.9 176,-0.1 -1,-0.4 -0.934 55.3 -82.9-166.8-176.8 78.4 31.6 39.5 58 43 H G E -J 46 0C 2 176,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.558 37.4-179.4-100.4 161.0 79.0 30.6 36.0 59 44 H A E -J 45 0C 0 -14,-1.7 -14,-1.9 -2,-0.2 2,-0.3 -0.901 20.4-122.1-151.6-179.5 81.0 27.7 34.7 60 45 H S E -JL 44 68C 0 8,-2.3 8,-3.2 -2,-0.3 2,-0.7 -0.991 15.3-131.2-136.2 141.0 82.1 26.0 31.5 61 46 H L E + L 0 67C 0 -18,-2.1 86,-1.5 -2,-0.3 6,-0.2 -0.804 29.4 169.4 -93.1 109.9 81.6 22.4 30.1 62 47 H I - 0 0 9 4,-1.7 2,-0.3 -2,-0.7 5,-0.2 0.459 65.9 -18.4-102.3 2.2 84.9 21.1 29.0 63 48 H S S S- 0 0 23 3,-0.8 -1,-0.2 85,-0.1 3,-0.1 -0.930 87.2 -73.6 177.7-175.0 84.0 17.6 28.4 64 49 H D S S+ 0 0 52 -2,-0.3 74,-2.9 1,-0.2 3,-0.1 0.622 125.3 26.5 -83.6 -9.5 81.2 15.3 29.5 65 50 H R S S+ 0 0 60 72,-0.2 69,-2.4 1,-0.1 2,-0.4 0.283 113.0 71.2-128.3 5.5 82.1 14.7 33.1 66 51 H W E - M 0 133C 16 67,-0.2 -4,-1.7 -3,-0.1 -3,-0.8 -0.980 50.2-172.9-133.1 139.2 84.0 17.9 33.9 67 52 H V E -LM 61 132C 0 65,-1.9 65,-1.5 -2,-0.4 2,-0.4 -0.898 15.6-143.8-124.0 148.7 83.2 21.6 34.4 68 53 H L E +LM 60 131C 0 -8,-3.2 -8,-2.3 -2,-0.3 2,-0.3 -0.909 32.1 144.5-114.5 148.2 85.6 24.4 34.8 69 54 H T E - M 0 130C 0 61,-2.4 61,-1.8 -2,-0.4 2,-0.3 -0.894 49.8 -74.9-161.2-175.4 85.0 27.4 37.0 70 55 H A > - 0 0 0 -12,-0.4 3,-2.0 -2,-0.3 4,-0.5 -0.726 33.1-135.0 -93.8 138.4 86.8 29.9 39.4 71 56 H A G >> S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.3 3,-2.3 0.897 100.7 68.8 -63.0 -36.2 87.8 28.7 42.8 72 57 H H G 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.566 88.2 65.0 -60.3 -8.2 86.5 31.7 44.5 73 58 H b G <4 S+ 0 0 0 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.719 116.8 29.1 -80.6 -26.2 83.0 30.5 43.7 74 59 H L T <4 S+ 0 0 2 -3,-2.3 9,-2.4 -4,-0.5 2,-0.4 0.756 130.4 27.4-101.2 -35.9 83.8 27.5 46.0 75 60 H L E < +P 82 0D 34 -4,-3.2 -1,-0.3 7,-0.2 7,-0.2 -0.894 56.5 138.2-145.0 113.2 86.2 28.8 48.5 76 60AH Y E > > -P 81 0D 18 5,-2.0 5,-2.6 -2,-0.4 3,-1.5 -0.774 23.7-170.8-148.1 90.8 86.6 32.4 49.7 77 60BH P G > 5S+ 0 0 54 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.851 79.4 67.3 -56.3 -39.4 87.1 32.6 53.4 78 60CH P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.695 113.8 32.8 -55.7 -18.4 86.8 36.4 53.8 79 60DH W G < 5S- 0 0 137 -3,-1.5 0, 0.0 2,-0.1 0, 0.0 0.170 119.6-107.1-121.0 7.8 83.2 36.0 52.9 80 60EH D T < 5 + 0 0 147 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.773 64.8 147.6 72.7 32.5 82.7 32.8 54.4 81 60FH K E < +P 76 0D 41 -5,-2.6 -5,-2.0 -9,-0.1 -1,-0.2 -0.909 4.7 141.1-108.1 133.7 82.5 30.5 51.5 82 60GH N E -P 75 0D 127 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.589 31.4-172.3-161.4 77.3 83.7 26.9 51.7 83 60HH F - 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