==== 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/RNA 04-JUN-08 3DD2 . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.B.LONG,B.A.SULLENGER . 289 3 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 60.9 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 . 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 . 18 6.2 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 . 30 10.4 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 1 0 1 1 0 1 0 1 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 1DL G 0 0 45 0, 0.0 4,-0.1 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 154.6 13.5 -39.8 -17.9 2 1CL E > - 0 0 181 2,-0.1 3,-1.8 0, 0.0 0, 0.0 0.042 360.0 -10.1 -56.9 163.7 15.2 -40.7 -14.6 3 1BL A T 3 S- 0 0 77 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.042 119.3 -42.1 44.3-143.4 16.6 -38.2 -12.1 4 1AL D T > S+ 0 0 59 3,-0.0 3,-1.5 145,-0.0 -1,-0.2 -0.036 85.0 153.5-104.6 30.1 16.8 -34.6 -13.4 5 1 L a T < + 0 0 16 -3,-1.8 144,-0.2 1,-0.2 145,-0.1 -0.199 65.7 18.4 -55.4 151.3 18.1 -35.4 -17.0 6 2 L G T 3 S+ 0 0 0 142,-2.8 244,-1.5 243,-0.2 2,-0.7 0.516 92.5 114.2 65.7 5.9 17.2 -32.9 -19.6 7 3 L L < - 0 0 26 -3,-1.5 -1,-0.1 141,-0.3 242,-0.1 -0.922 64.8-135.6-109.3 107.7 16.4 -30.1 -17.2 8 4 L R > > - 0 0 0 -2,-0.7 5,-2.7 1,-0.1 3,-1.6 -0.397 2.7-140.7 -69.9 132.5 18.9 -27.3 -17.7 9 5 L P T 3 5S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.887 104.7 42.3 -55.5 -42.7 20.5 -25.7 -14.6 10 6 L L T 3 5S+ 0 0 31 134,-0.5 -2,-0.1 31,-0.3 32,-0.1 0.348 131.2 17.5 -89.8 7.7 20.4 -22.3 -16.2 11 7 L F T X >S+ 0 0 12 -3,-1.6 5,-2.5 30,-0.1 3,-0.8 0.302 125.8 28.1-137.2 -89.5 16.9 -22.6 -17.7 12 8 L E G > 5S+ 0 0 27 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.865 124.4 50.5 -52.1 -37.4 14.3 -25.2 -16.7 13 9 L K G 3 > S+ 0 0 35 2,-0.1 3,-1.3 1,-0.0 4,-0.7 0.470 85.8 98.4-133.4 -0.4 14.4 -19.8 -29.5 21 14CL E H 3> S+ 0 0 11 1,-0.3 4,-2.3 -3,-0.2 3,-0.5 0.755 75.3 70.0 -62.2 -23.0 12.8 -22.7 -27.6 22 14DL R H 3> S+ 0 0 151 -4,-0.3 4,-3.4 1,-0.2 -1,-0.3 0.888 91.4 61.3 -60.4 -35.2 9.3 -21.2 -28.2 23 14EL E H <> S+ 0 0 46 -3,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.870 105.3 46.7 -57.6 -40.4 9.8 -22.0 -31.9 24 14FL L H X S+ 0 0 0 -4,-0.7 4,-0.6 -3,-0.5 142,-0.4 0.955 113.2 48.4 -67.4 -48.6 10.0 -25.7 -30.9 25 14GL L H >X S+ 0 0 60 -4,-2.3 3,-1.2 1,-0.2 4,-0.5 0.902 108.9 53.8 -59.1 -40.7 6.9 -25.4 -28.7 26 14HL E H >X S+ 0 0 97 -4,-3.4 4,-2.8 1,-0.2 3,-1.2 0.846 97.3 65.2 -62.6 -34.9 5.0 -23.6 -31.4 27 14IL S H 3< S+ 0 0 8 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.679 94.0 60.7 -63.5 -18.2 5.7 -26.4 -34.0 28 14JL Y H << S+ 0 0 30 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.760 113.2 37.0 -78.0 -26.0 3.6 -28.9 -31.8 29 14KL I H << 0 0 139 -3,-1.2 -2,-0.2 -4,-0.5 -3,-0.1 0.906 360.0 360.0 -87.1 -52.7 0.6 -26.6 -32.3 30 14LL D < 0 0 173 -4,-2.8 -1,-0.2 134,-0.1 -4,-0.0 -0.564 360.0 360.0 -70.4 360.0 1.3 -25.6 -35.9 31 !* 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 32 16 H I 0 0 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.3 26.0 -25.8 -38.5 33 17 H V B -A 230 0A 11 197,-3.2 197,-1.3 1,-0.2 143,-0.1 -0.821 360.0 -1.7-101.4 134.4 24.8 -23.7 -41.4 34 18 H E S S+ 0 0 129 141,-0.4 -1,-0.2 -2,-0.4 194,-0.2 0.827 100.1 124.0 59.5 35.2 22.5 -20.7 -40.9 35 19 H G - 0 0 29 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.162 53.6-118.5-104.1-155.1 22.3 -21.1 -37.2 36 20 H S E -B 193 0B 46 157,-2.1 157,-2.3 -2,-0.1 2,-0.1 -0.933 35.0 -76.4-144.1 165.7 23.1 -18.7 -34.4 37 21 H D E -B 192 0B 91 -2,-0.3 155,-0.2 155,-0.2 154,-0.1 -0.429 52.9-121.5 -63.6 133.8 25.5 -18.4 -31.4 38 22 H A - 0 0 7 153,-2.8 2,-0.2 -2,-0.1 -1,-0.1 -0.397 23.0-115.1 -74.2 155.3 24.3 -20.6 -28.6 39 23 H E > - 0 0 56 1,-0.1 3,-2.1 -2,-0.1 4,-0.4 -0.569 44.8 -84.2 -85.4 155.8 23.5 -19.0 -25.2 40 24 H I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.347 116.6 7.3 -60.1 136.2 25.6 -20.0 -22.2 41 25 H G T 3 S+ 0 0 12 2,-0.1 -31,-0.3 104,-0.1 -1,-0.3 0.455 93.3 124.4 71.7 -1.6 24.4 -23.2 -20.7 42 26 H M S < S+ 0 0 3 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.809 84.7 21.0 -61.4 -33.2 21.9 -23.6 -23.5 43 27 H S S > S+ 0 0 15 -4,-0.4 3,-2.4 1,-0.1 -1,-0.3 -0.546 71.3 165.7-135.8 68.1 23.2 -27.1 -24.5 44 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.567 75.1 61.2 -63.3 -9.5 24.9 -28.4 -21.3 45 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.6 103,-0.1 2,-0.1 0.455 77.6 120.8 -94.0 -2.9 25.0 -31.9 -22.7 46 30 H Q E < -J 62 0C 2 -3,-2.4 49,-1.0 16,-0.2 2,-0.4 -0.409 44.0-169.6 -65.1 132.1 27.1 -30.8 -25.6 47 31 H V E -JK 61 94C 0 14,-2.2 14,-0.9 47,-0.2 2,-0.5 -0.961 15.3-146.8-126.8 141.6 30.4 -32.6 -25.8 48 32 H M E -JK 60 93C 0 45,-3.0 45,-2.8 -2,-0.4 2,-0.5 -0.926 11.2-146.9-108.6 126.5 33.4 -32.0 -28.0 49 33 H L E -JK 59 92C 0 10,-2.7 9,-2.8 -2,-0.5 10,-1.0 -0.791 25.4-170.8 -89.0 131.9 35.5 -35.0 -29.1 50 34 H F E -JK 57 91C 22 41,-3.5 41,-2.9 -2,-0.5 2,-0.3 -0.976 20.5-129.9-134.8 135.6 39.1 -34.0 -29.3 51 35 H R E > -JK 56 90C 71 5,-3.4 5,-1.0 -2,-0.4 39,-0.2 -0.613 8.5-148.0 -83.7 137.8 42.3 -35.6 -30.7 52 36 H K T 5S+ 0 0 69 37,-2.7 3,-0.3 -2,-0.3 -1,-0.1 0.875 80.4 51.2 -70.0 -37.2 45.4 -35.8 -28.5 53 36AH S T 5S+ 0 0 95 1,-0.5 -1,-0.2 36,-0.5 2,-0.2 -0.847 119.4 17.8-159.4 117.4 47.8 -35.5 -31.4 54 37 H P T 5S- 0 0 78 0, 0.0 2,-0.6 0, 0.0 -1,-0.5 0.601 104.3-120.9 -68.4 156.3 47.7 -33.5 -33.4 55 38 H Q T 5 + 0 0 138 -3,-0.3 2,-0.3 -2,-0.2 -3,-0.2 -0.569 58.6 139.1 -68.4 111.4 45.5 -31.5 -31.1 56 39 H E E < -J 51 0C 76 -5,-1.0 -5,-3.4 -2,-0.6 2,-0.2 -0.989 57.9-101.4-159.3 151.8 42.3 -31.1 -33.1 57 40 H L E +J 50 0C 48 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.514 36.0 175.3 -70.8 130.6 38.5 -31.1 -33.0 58 41 H L E - 0 0 19 -9,-2.8 2,-0.3 1,-0.4 -8,-0.2 0.817 49.7 -42.8-106.1 -46.4 37.1 -34.3 -34.2 59 42 H b E -J 49 0C 4 -10,-1.0 -10,-2.7 176,-0.1 -1,-0.4 -0.947 54.1 -89.7-167.8-177.4 33.3 -34.4 -33.8 60 43 H G E +J 48 0C 2 176,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.468 39.1 167.0-102.2 177.7 30.4 -33.6 -31.5 61 44 H A E -J 47 0C 0 -14,-0.9 -14,-2.2 -2,-0.2 2,-0.4 -0.947 25.4-116.6-175.3 176.4 28.8 -35.9 -29.0 62 45 H S E -JL 46 70C 0 8,-2.8 8,-3.0 -2,-0.3 2,-0.6 -0.996 14.3-125.1-140.5 146.5 26.4 -35.8 -26.0 63 46 H L E + L 0 69C 0 -18,-2.6 86,-2.1 -2,-0.4 6,-0.2 -0.756 30.0 167.8 -85.1 122.0 26.5 -36.4 -22.3 64 47 H I - 0 0 24 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.539 67.2 -6.5-113.8 -8.3 23.9 -38.9 -21.2 65 48 H S S S- 0 0 36 3,-1.0 -1,-0.3 85,-0.1 3,-0.2 -0.930 89.8 -77.1-165.7 178.7 25.0 -39.6 -17.7 66 49 H D S S+ 0 0 51 -2,-0.3 74,-2.3 1,-0.2 72,-0.1 0.691 129.1 19.7 -65.6 -14.5 28.0 -38.8 -15.4 67 50 H R S S+ 0 0 80 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.404 108.1 80.7-135.9 5.7 30.2 -41.3 -17.2 68 51 H W E - M 0 135C 3 -3,-0.2 -4,-2.3 67,-0.2 -3,-1.0 -0.948 48.9-170.2-121.5 138.0 28.7 -42.1 -20.6 69 52 H V E -LM 63 134C 0 65,-2.4 65,-2.3 -2,-0.4 2,-0.4 -0.982 10.0-149.4-127.5 133.7 28.9 -40.2 -23.9 70 53 H L E +LM 62 133C 0 -8,-3.0 -8,-2.8 -2,-0.4 2,-0.3 -0.787 29.4 144.6-101.8 140.5 27.0 -40.8 -27.1 71 54 H T E - M 0 132C 0 61,-2.3 61,-2.3 -2,-0.4 2,-0.4 -0.888 50.2 -71.7-157.1-175.8 28.3 -40.0 -30.5 72 55 H A >> - 0 0 0 -12,-0.4 3,-1.3 -2,-0.3 4,-0.5 -0.724 33.2-134.8 -90.6 140.7 28.3 -41.2 -34.2 73 56 H A H >> S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.3 3,-1.9 0.914 103.4 61.6 -61.6 -41.6 30.2 -44.3 -35.0 74 57 H H H 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 9,-0.0 0.684 92.4 67.8 -62.4 -11.6 31.9 -42.8 -38.1 75 58 H b H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.809 115.5 25.7 -73.1 -29.2 33.5 -40.2 -35.8 76 59 H L H << S+ 0 0 2 -3,-1.9 9,-2.6 -4,-0.5 2,-0.4 0.689 131.9 32.6-103.7 -29.7 35.6 -43.0 -34.4 77 60 H L E < +P 84 0D 40 -4,-2.6 -1,-0.3 7,-0.2 7,-0.2 -0.936 56.4 136.1-140.2 113.4 35.7 -45.5 -37.2 78 60AH Y E > > -P 83 0D 17 5,-3.0 3,-2.3 -2,-0.4 5,-2.0 -0.548 23.7-171.8-154.7 84.0 35.6 -44.8 -40.9 79 60BH P G > 5S+ 0 0 49 0, 0.0 3,-3.9 0, 0.0 -1,-0.1 0.841 80.7 69.3 -45.0 -46.1 38.2 -46.9 -42.9 80 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.725 109.8 36.4 -51.5 -21.1 37.6 -45.0 -46.2 81 60DH W G < 5S- 0 0 134 -3,-2.3 3,-0.1 2,-0.1 -3,-0.0 0.109 118.9-111.0-114.9 19.0 39.3 -42.0 -44.5 82 60EH D T < 5 + 0 0 158 -3,-3.9 2,-0.6 1,-0.2 -5,-0.0 0.836 67.9 153.3 54.9 35.3 41.8 -44.2 -42.7 83 60FH K E < +P 78 0D 42 -5,-2.0 -5,-3.0 -9,-0.0 -1,-0.2 -0.854 5.7 140.3-101.7 121.8 40.0 -43.2 -39.5 84 60GH N E -P 77 0D 114 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.526 25.0-172.9-161.3 86.0 40.1 -45.7 -36.6 85 60HH F - 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