==== 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-JAN-99 2THF . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CACCIA,K.FUTTERER,E.DI CERA,G.WAKSMAN . 276 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 62.3 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 . 74 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 22 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 0 0 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 . 3 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 1AA D 0 0 112 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.0 13.6 19.3 39.5 2 1 A a + 0 0 35 141,-0.1 143,-0.3 3,-0.0 58,-0.1 -0.979 360.0 19.5-150.5 159.9 16.4 20.5 37.3 3 2 A G S S+ 0 0 0 141,-2.0 236,-1.7 -2,-0.3 2,-0.5 0.388 92.1 103.9 63.3 -3.7 18.8 19.4 34.5 4 3 A L - 0 0 28 140,-0.3 -1,-0.1 234,-0.2 234,-0.1 -0.952 60.7-147.7-113.9 120.5 16.6 16.4 33.5 5 4 A R > > - 0 0 0 -2,-0.5 3,-2.1 1,-0.1 5,-1.8 -0.756 8.0-144.2 -92.5 123.8 14.6 16.7 30.3 6 5 A P T 3 5S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.882 102.1 45.2 -47.6 -49.1 11.2 14.9 30.1 7 6 A L T 3 5S+ 0 0 28 133,-0.5 31,-0.1 30,-0.2 133,-0.0 0.467 131.0 19.2 -79.9 3.7 11.6 14.1 26.4 8 7 A F T X >S+ 0 0 14 -3,-2.1 5,-2.3 29,-0.1 3,-1.5 0.422 128.6 24.4-131.5 -88.2 15.1 12.9 26.9 9 8 A E G > 5S+ 0 0 14 1,-0.3 3,-2.2 3,-0.2 -5,-0.1 0.927 122.3 54.1 -53.0 -48.5 16.7 12.0 30.2 10 9 A K G 3 > S+ 0 0 39 2,-0.1 3,-2.0 1,-0.1 4,-0.7 0.503 85.7 95.7-120.9 -5.0 24.8 15.7 19.8 18 14CA E H >> S+ 0 0 2 1,-0.3 4,-2.5 -3,-0.3 3,-0.6 0.790 78.6 65.6 -59.2 -27.5 25.3 15.3 23.6 19 14DA R H 3> S+ 0 0 157 -4,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.797 94.5 61.8 -64.2 -23.0 27.6 12.3 23.0 20 14EA E H <> S+ 0 0 50 -3,-2.0 4,-1.3 2,-0.2 -1,-0.3 0.880 107.0 44.7 -66.6 -36.0 29.9 15.0 21.4 21 14FA L H X S+ 0 0 49 -4,-2.5 4,-0.5 1,-0.2 3,-0.5 0.839 111.0 54.9 -63.3 -30.9 30.4 13.4 26.9 23 14HA E H >< S+ 0 0 125 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.2 0.896 97.6 62.6 -69.7 -38.7 33.2 12.3 24.5 24 14IA S H 3< S+ 0 0 19 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 95.4 59.9 -57.6 -23.2 35.1 15.6 25.0 25 14JA Y H << 0 0 31 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.821 360.0 360.0 -72.4 -25.7 35.4 14.6 28.6 26 14KA I << 0 0 179 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.1 -0.593 360.0 360.0 67.9 360.0 37.3 11.7 27.0 27 !* 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 28 16 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.1 24.4 31.4 16.9 29 17 B V B -A 219 0A 14 190,-3.1 190,-1.6 1,-0.2 143,-0.1 -0.833 360.0 -0.8-100.2 132.7 26.8 31.0 14.1 30 18 B E S S+ 0 0 128 -2,-0.4 -1,-0.2 141,-0.4 187,-0.1 0.821 99.2 134.4 60.9 35.2 27.3 27.6 12.5 31 19 B G - 0 0 24 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.283 48.4-120.5-100.8-171.4 24.9 26.0 14.9 32 20 B S E -B 182 0B 63 150,-2.3 150,-2.5 -2,-0.1 2,-0.3 -0.833 33.5 -83.3-129.0 167.9 22.1 23.5 14.3 33 21 B D E -B 181 0B 104 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.569 48.4-121.2 -74.6 130.0 18.4 23.4 14.8 34 22 B A - 0 0 18 146,-2.7 2,-0.2 -2,-0.3 146,-0.1 -0.422 21.9-120.4 -68.9 140.5 17.5 22.4 18.3 35 23 B E > - 0 0 61 -2,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.587 45.8 -87.1 -78.6 149.4 15.3 19.2 18.7 36 24 B I T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -2,-0.2 57,-0.0 -0.306 115.2 12.8 -55.2 134.7 12.0 20.0 20.5 37 25 B G T 3 S+ 0 0 5 104,-0.1 -1,-0.3 2,-0.1 -30,-0.2 0.505 92.6 117.6 76.0 2.0 12.4 19.8 24.3 38 26 B M S < S+ 0 0 7 -3,-2.1 -2,-0.1 1,-0.2 -23,-0.1 0.773 86.9 23.6 -71.1 -29.3 16.2 19.7 23.9 39 27 B S S > S+ 0 0 14 -4,-0.3 3,-2.3 102,-0.1 -1,-0.2 -0.474 70.7 162.9-136.4 63.1 16.7 23.0 25.9 40 28 B P T 3 S+ 0 0 4 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.584 73.5 62.6 -60.0 -13.5 13.5 23.3 28.0 41 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.4 103,-0.1 2,-0.2 0.343 77.4 125.1 -91.7 2.3 15.2 25.9 30.3 42 30 B Q E < -J 58 0C 15 -3,-2.3 49,-0.8 16,-0.2 2,-0.3 -0.455 40.3-171.9 -69.1 134.2 15.6 28.2 27.3 43 31 B V E -JK 57 90C 0 14,-2.1 14,-1.2 -2,-0.2 2,-0.5 -0.965 15.7-147.1-130.2 145.5 14.1 31.7 27.8 44 32 B M E -JK 56 89C 4 45,-2.7 45,-2.2 -2,-0.3 2,-0.7 -0.951 9.4-149.9-115.0 120.2 13.5 34.6 25.5 45 33 B L E -JK 55 88C 0 10,-2.6 9,-3.0 -2,-0.5 10,-1.5 -0.829 23.4-174.2 -93.1 114.8 13.7 38.2 26.8 46 34 B F E -JK 53 87C 15 41,-2.4 41,-1.8 -2,-0.7 2,-0.4 -0.761 29.2-121.5-110.0 154.3 11.4 40.5 24.9 47 35 B R E > -JK 52 86C 84 5,-3.4 5,-1.1 -2,-0.3 39,-0.2 -0.773 25.2-147.0 -87.2 132.1 10.8 44.2 24.9 48 36 B K T 5S+ 0 0 64 37,-2.8 -1,-0.2 -2,-0.4 38,-0.1 0.989 75.8 57.3 -66.6 -63.3 7.0 44.7 25.7 49 36AB S T 5S+ 0 0 107 36,-0.5 -1,-0.3 1,-0.2 2,-0.1 -0.941 123.3 12.0-119.9 109.5 6.2 47.8 23.7 50 37 B P T 5S- 0 0 92 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.688 104.2-109.3 -89.4 175.6 6.8 47.3 21.0 51 38 B Q T 5 + 0 0 151 -2,-0.1 2,-0.3 -5,-0.1 -3,-0.2 -0.435 54.7 149.6 -65.0 129.0 7.4 43.5 20.7 52 39 B E E < -J 47 0C 90 -5,-1.1 -5,-3.4 -2,-0.2 2,-0.5 -0.874 47.4-122.1-163.8 128.2 11.0 42.9 20.0 53 40 B L E +J 46 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.634 34.7 171.5 -74.7 120.9 13.3 40.0 21.0 54 41 B L E - 0 0 23 -9,-3.0 2,-0.3 -2,-0.5 -8,-0.2 0.854 50.4 -27.7 -99.2 -44.4 16.2 41.4 23.0 55 42 B b E -J 45 0C 7 -10,-1.5 -10,-2.6 169,-0.1 -1,-0.3 -0.941 58.2 -93.9-161.0-179.4 18.2 38.5 24.4 56 43 B G E +J 44 0C 6 169,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.420 37.9 170.6-100.1 176.1 18.4 35.0 25.6 57 44 B A E -J 43 0C 0 -14,-1.2 -14,-2.1 -2,-0.1 2,-0.3 -0.947 21.3-124.9-170.7 176.8 17.9 33.8 29.2 58 45 B S E -JL 42 66C 0 8,-2.3 8,-3.1 -2,-0.3 2,-0.5 -0.997 15.9-120.4-144.1 150.7 17.5 30.6 31.2 59 46 B L E + L 0 65C 0 -18,-2.4 86,-2.7 -2,-0.3 6,-0.2 -0.779 31.4 165.6 -89.7 119.7 15.1 29.1 33.7 60 47 B I S S- 0 0 23 4,-2.2 2,-0.3 -2,-0.5 5,-0.2 0.488 70.5 -6.6-111.8 -8.8 16.8 28.2 37.0 61 48 B S S S- 0 0 28 3,-1.3 -1,-0.3 85,-0.1 84,-0.1 -0.929 87.2 -81.9-166.8 179.3 13.6 27.7 39.1 62 49 B D S S+ 0 0 74 -2,-0.3 74,-2.1 1,-0.2 72,-0.1 0.725 129.9 23.2 -68.4 -19.3 9.8 28.2 38.7 63 50 B R S S+ 0 0 52 72,-0.2 69,-3.6 1,-0.1 2,-0.5 0.473 110.2 81.6-122.0 -9.3 10.1 32.0 39.5 64 51 B W E - M 0 131C 22 67,-0.2 -4,-2.2 65,-0.0 -3,-1.3 -0.890 47.1-178.5-113.8 134.9 13.7 32.7 38.6 65 52 B V E -LM 59 130C 0 65,-2.1 65,-2.6 -2,-0.5 2,-0.3 -0.979 15.6-148.3-124.9 132.7 15.2 33.5 35.2 66 53 B L E +LM 58 129C 0 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.3 -0.801 28.4 147.7-104.1 145.7 18.9 34.1 34.8 67 54 B T E - M 0 128C 0 61,-2.4 61,-2.5 -2,-0.3 2,-0.4 -0.899 47.9 -68.4-157.1-174.1 20.4 36.4 32.1 68 55 B A >> - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.5 -0.742 33.8-136.1 -88.7 133.1 23.2 38.8 31.1 69 56 B A H >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-2.5 0.920 104.2 58.5 -51.6 -48.7 23.3 42.2 33.0 70 57 B H H 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 176,-0.0 0.661 91.4 70.0 -59.1 -15.5 24.0 44.1 29.7 71 58 B b H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.796 117.5 22.0 -70.5 -24.7 20.7 42.7 28.3 72 59 B L H << S+ 0 0 1 -3,-2.5 9,-2.3 -4,-0.5 2,-0.4 0.735 131.4 34.7-110.4 -35.7 19.0 45.0 30.8 73 60 B L E < +P 80 0D 37 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.941 58.8 129.3-133.3 116.0 21.6 47.7 31.6 74 60AB Y E > > -P 79 0D 16 5,-2.8 5,-1.8 -2,-0.4 3,-1.7 -0.561 26.4-171.5-163.2 86.6 24.1 49.2 29.2 75 60BB P G > 5S+ 0 0 56 0, 0.0 3,-3.7 0, 0.0 -1,-0.1 0.848 82.1 69.3 -49.4 -45.5 24.2 53.0 28.9 76 60CB P G 3 5S+ 0 0 71 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.797 109.5 38.4 -49.3 -25.7 26.6 53.1 25.9 77 60DB W G < 5S- 0 0 132 -3,-1.7 3,-0.1 2,-0.1 -3,-0.0 0.154 120.6-108.0-109.9 19.2 23.7 51.7 24.0 78 60EB D T < 5S+ 0 0 155 -3,-3.7 2,-0.5 1,-0.2 -5,-0.0 0.925 71.8 149.8 56.1 43.7 21.1 53.8 25.7 79 60FB K E < +P 74 0D 39 -5,-1.8 -5,-2.8 2,-0.0 -1,-0.2 -0.945 6.8 130.0-115.9 123.6 19.9 50.6 27.4 80 60GB N E -P 73 0D 112 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.1 -0.458 31.6-177.3-170.4 85.8 18.4 50.7 30.9 81 60HB F - 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