==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-NOV-10 3PMA . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.T.WRIGHT,J.N.SCARSDALE,B.J.DESAI . 555 6 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.2 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 . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 0 0 2 2 4 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 8 2 6 6 3 1 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 . 2 0 0 0 0 2 0 2 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 1CA E > 0 0 104 0, 0.0 3,-1.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 121.5 0.4 -36.7 23.1 2 1BA A T 3 + 0 0 86 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.721 360.0 47.2 -65.5 -26.0 3.8 -37.2 21.3 3 1AA D T > S+ 0 0 55 137,-0.0 3,-1.2 2,-0.0 -1,-0.3 0.176 82.2 141.7-104.9 16.0 3.6 -34.0 19.3 4 1 A a T < + 0 0 12 -3,-1.4 136,-0.2 1,-0.2 137,-0.1 -0.161 63.3 17.7 -57.8 149.3 2.5 -31.7 22.2 5 2 A G T 3 S+ 0 0 0 134,-2.2 228,-1.3 227,-0.2 2,-0.6 0.469 92.8 111.6 71.6 3.8 3.9 -28.2 22.4 6 3 A L < - 0 0 22 -3,-1.2 -1,-0.1 133,-0.3 226,-0.1 -0.941 60.0-146.2-111.8 110.1 5.0 -28.0 18.8 7 4 A R > > - 0 0 0 -2,-0.6 5,-2.0 1,-0.1 3,-1.6 -0.640 7.2-141.4 -83.2 127.6 2.9 -25.5 16.9 8 5 A P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 127,-0.1 0.800 102.0 48.3 -53.7 -37.2 2.2 -26.3 13.2 9 6 A L T 3 5S+ 0 0 31 126,-0.5 32,-0.1 31,-0.3 126,-0.0 0.488 128.9 16.3 -88.7 -1.3 2.6 -22.7 12.1 10 7 A F T X >S+ 0 0 9 -3,-1.6 5,-2.5 30,-0.1 3,-1.2 0.487 127.9 27.6-128.5 -86.0 5.8 -22.1 14.0 11 8 A E G > 5S+ 0 0 8 1,-0.3 3,-1.4 3,-0.2 5,-0.1 0.874 122.2 52.2 -55.1 -42.9 8.1 -24.9 15.4 12 9 A K G 3 - 0 0 4 -2,-0.4 3,-0.7 1,-0.1 4,-0.4 -0.144 31.7 -99.8 -71.9 171.2 7.1 -16.2 16.8 18 14AA Q T 3 S+ 0 0 124 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.680 115.9 32.7 -71.4 -21.0 7.7 -12.5 17.3 19 14BA T T >> S+ 0 0 15 1,-0.1 4,-0.8 2,-0.1 3,-0.7 0.310 84.0 101.9-121.8 6.8 8.1 -12.5 21.1 20 14CA E H X> S+ 0 0 5 -3,-0.7 4,-1.8 1,-0.2 3,-0.9 0.880 78.4 60.6 -52.8 -43.9 9.8 -15.8 21.7 21 14DA K H 3> S+ 0 0 146 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.809 94.7 63.6 -57.5 -31.7 13.2 -14.1 22.1 22 14EA E H <> S+ 0 0 31 -3,-0.7 4,-1.3 2,-0.2 -1,-0.3 0.886 106.2 44.9 -58.4 -39.5 11.8 -12.2 25.1 23 14FA L H X S+ 0 0 62 -4,-1.8 4,-0.9 1,-0.2 3,-0.5 0.848 108.2 57.8 -67.2 -34.6 14.8 -16.9 25.9 25 14HA E H >< S+ 0 0 129 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.907 103.2 53.7 -58.3 -43.1 16.4 -13.5 26.9 26 14IA S H >< S+ 0 0 11 -4,-1.3 3,-0.9 1,-0.2 -1,-0.2 0.702 99.9 63.3 -66.2 -22.3 14.9 -14.0 30.5 27 14JA Y H << S+ 0 0 30 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.814 103.8 45.0 -71.7 -33.3 16.5 -17.4 30.8 28 14KA I T << 0 0 142 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.1 -0.011 360.0 360.0-102.2 30.2 20.1 -16.1 30.6 29 14LA E < 0 0 218 -3,-0.9 -3,-0.1 0, 0.0 -4,-0.1 -0.366 360.0 360.0 85.6 360.0 19.3 -13.2 33.1 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 B I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.7 -5.1 -9.3 28.7 32 17 B V B +A 213 0A 14 181,-2.7 181,-1.5 1,-0.2 135,-0.1 -0.789 360.0 1.4 -92.4 134.1 -4.0 -5.8 29.8 33 18 B E S S+ 0 0 124 133,-0.5 178,-0.2 -2,-0.4 -1,-0.2 0.750 102.1 120.0 62.7 29.8 -1.0 -4.1 28.1 34 19 B G - 0 0 27 -3,-0.4 2,-0.3 179,-0.1 143,-0.2 -0.107 53.5-124.7 -99.1-157.1 -0.4 -7.0 25.7 35 20 B Q E -B 176 0B 97 141,-1.7 141,-2.3 -2,-0.1 2,-0.2 -0.926 36.2 -68.3-146.6 168.3 -0.5 -7.1 21.9 36 21 B D E -B 175 0B 102 -2,-0.3 2,-0.3 139,-0.2 139,-0.2 -0.429 50.6-130.6 -61.1 128.5 -2.1 -8.9 19.0 37 22 B A - 0 0 11 137,-3.0 137,-0.1 -2,-0.2 3,-0.1 -0.635 23.4-111.1 -77.6 140.1 -1.1 -12.5 18.8 38 23 B E > - 0 0 66 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.293 48.8 -80.6 -60.6 154.4 0.1 -13.8 15.4 39 24 B V T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 56,-0.0 -0.371 118.7 12.9 -58.5 133.6 -2.2 -16.4 13.7 40 25 B G T 3 S+ 0 0 13 2,-0.1 -31,-0.3 -3,-0.1 -1,-0.3 0.562 86.3 131.4 76.1 9.7 -1.6 -19.9 15.1 41 26 B L S < S+ 0 0 4 -3,-1.8 -2,-0.1 1,-0.3 3,-0.1 0.833 80.9 21.8 -61.7 -38.3 0.4 -18.5 18.1 42 27 B S > + 0 0 11 -4,-0.2 3,-2.0 1,-0.1 -1,-0.3 -0.690 65.4 168.3-133.9 76.6 -1.6 -20.5 20.7 43 28 B P T 3 S+ 0 0 2 0, 0.0 95,-1.6 0, 0.0 91,-0.1 0.622 79.3 61.5 -73.3 -7.5 -3.3 -23.5 19.0 44 29 B W T 3 S+ 0 0 3 93,-0.2 18,-2.1 95,-0.1 2,-0.2 0.331 76.7 125.9 -91.6 3.9 -4.0 -24.9 22.5 45 30 B Q E < -J 61 0C 14 -3,-2.0 49,-0.9 16,-0.2 2,-0.4 -0.489 37.3-178.0 -67.0 129.2 -6.2 -21.8 23.3 46 31 B V E -JK 60 93C 0 14,-2.1 14,-1.7 -2,-0.2 2,-0.5 -0.974 15.8-148.7-126.4 142.2 -9.7 -22.8 24.4 47 32 B M E -JK 59 92C 15 45,-2.6 45,-2.3 -2,-0.4 2,-0.6 -0.958 9.3-145.3-111.1 128.1 -12.5 -20.4 25.2 48 33 B L E -JK 58 91C 0 10,-2.6 9,-2.8 -2,-0.5 10,-1.5 -0.841 24.3-167.9 -93.8 122.2 -15.1 -21.4 27.8 49 34 B F E -JK 56 90C 25 41,-3.6 41,-2.3 -2,-0.6 2,-0.3 -0.872 26.6-122.5-113.9 139.9 -18.5 -20.0 26.9 50 35 B R E > -JK 55 89C 76 5,-2.9 5,-0.8 -2,-0.4 39,-0.2 -0.632 26.8-143.0 -65.8 135.3 -21.8 -19.7 28.8 51 36 B K E 5S+J 54 0C 95 37,-2.8 3,-0.3 -2,-0.3 38,-0.1 0.903 76.5 43.2 -73.2 -43.0 -24.3 -21.6 26.6 52 36AB S T 5S+ 0 0 89 1,-0.5 -1,-0.3 36,-0.4 2,-0.2 -0.837 123.4 19.8-161.0 112.2 -27.4 -19.3 27.0 53 37 B P T 5S- 0 0 97 0, 0.0 -1,-0.5 0, 0.0 2,-0.4 0.537 106.4-126.3 -72.7 149.6 -27.2 -16.4 27.0 54 38 B Q E 5 +J 51 0C 135 -3,-0.3 2,-0.3 -2,-0.2 -3,-0.2 -0.530 47.1 145.9 -76.4 122.2 -23.9 -16.8 25.2 55 39 B E E < -J 50 0C 93 -5,-0.8 -5,-2.9 -2,-0.4 2,-0.2 -0.985 52.9-103.2-150.0 143.5 -21.0 -15.0 26.8 56 40 B L E +J 49 0C 50 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.502 40.7 169.6 -61.4 128.3 -17.2 -15.6 27.1 57 41 B L E - 0 0 26 -9,-2.8 2,-0.3 1,-0.4 160,-0.3 0.769 53.4 -17.6-106.7 -45.0 -16.6 -16.7 30.7 58 42 B b E -J 48 0C 4 -10,-1.5 -10,-2.6 160,-0.1 -1,-0.4 -0.945 57.7-104.0-156.8 164.2 -13.0 -17.9 30.9 59 43 B G E +J 47 0C 5 160,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.495 38.1 175.2 -86.4 170.4 -9.9 -19.1 29.1 60 44 B A E -J 46 0C 0 -14,-1.7 -14,-2.1 -2,-0.2 2,-0.4 -0.945 20.0-123.4-162.7 175.0 -8.9 -22.7 29.0 61 45 B S E -JL 45 69C 0 8,-2.6 8,-3.2 -2,-0.3 2,-0.6 -0.987 11.8-129.3-137.0 147.5 -6.3 -25.0 27.4 62 46 B L E + L 0 68C 0 -18,-2.1 78,-2.3 -2,-0.4 6,-0.2 -0.818 28.5 166.8 -92.5 120.3 -6.2 -28.0 25.2 63 47 B I S S- 0 0 17 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.485 70.2 -4.6-113.5 -9.2 -4.0 -30.8 26.7 64 48 B S S S- 0 0 22 3,-1.1 -1,-0.2 77,-0.1 76,-0.1 -0.917 87.3 -84.1-161.1-176.8 -5.1 -33.7 24.4 65 49 B D S S+ 0 0 59 -2,-0.3 66,-2.6 1,-0.2 64,-0.1 0.579 129.6 26.6 -72.6 -6.5 -7.8 -34.3 21.7 66 50 B R S S+ 0 0 9 64,-0.2 61,-2.7 1,-0.1 2,-0.4 0.465 108.4 77.3-132.1 -10.4 -10.3 -35.0 24.5 67 51 B W E - M 0 126C 25 59,-0.2 -4,-2.1 57,-0.0 -3,-1.1 -0.913 49.4-171.2-119.3 136.6 -9.2 -33.0 27.6 68 52 B V E -LM 62 125C 0 57,-2.0 57,-3.2 -2,-0.4 2,-0.4 -0.981 11.3-149.2-126.4 132.7 -9.4 -29.3 28.4 69 53 B L E +LM 61 124C 0 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.3 -0.843 30.1 140.9-106.7 135.5 -7.7 -27.6 31.4 70 54 B T E - M 0 123C 0 53,-2.1 53,-2.1 -2,-0.4 2,-0.3 -0.882 50.8 -72.3-153.1-176.0 -9.1 -24.6 33.3 71 55 B A > - 0 0 0 -12,-0.4 3,-1.1 -2,-0.3 4,-0.4 -0.669 31.3-132.5 -89.1 143.5 -9.6 -23.0 36.7 72 56 B A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-1.8 0.856 104.9 62.7 -59.8 -37.7 -12.1 -24.5 39.2 73 57 B H G 34 S+ 0 0 26 1,-0.3 -1,-0.2 2,-0.2 167,-0.0 0.664 90.7 68.1 -66.2 -18.1 -13.5 -21.0 40.0 74 58 B b G <4 S+ 0 0 1 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.741 116.4 24.9 -67.2 -23.6 -14.6 -20.7 36.4 75 59 B L T <4 S+ 0 0 0 -3,-1.8 9,-2.6 -4,-0.4 2,-0.5 0.766 129.8 33.8-109.1 -41.2 -17.1 -23.5 37.1 76 60 B L E < +P 83 0D 39 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.962 56.5 139.3-129.7 115.2 -17.8 -23.3 40.9 77 60AB Y E > > -P 82 0D 54 5,-3.0 5,-1.8 -2,-0.5 3,-1.5 -0.575 22.4-173.0-152.3 85.3 -17.8 -20.1 42.9 78 60BB P G > 5S+ 0 0 54 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.761 80.2 66.5 -53.1 -34.7 -20.6 -19.9 45.5 79 60CB P G 3 5S+ 0 0 74 0, 0.0 36,-0.0 0, 0.0 -2,-0.0 0.876 110.6 38.4 -60.0 -29.2 -20.0 -16.3 46.6 80 60DB W G < 5S- 0 0 186 -3,-1.5 0, 0.0 2,-0.1 0, 0.0 0.215 119.6-110.7 -98.4 15.1 -21.2 -15.3 43.1 81 60EB D T < 5 + 0 0 154 -3,-1.9 2,-0.6 1,-0.2 -5,-0.0 0.861 66.7 154.6 59.8 39.7 -23.9 -18.0 43.0 82 60FB K E < +P 77 0D 45 -5,-1.8 -5,-3.0 1,-0.0 -1,-0.2 -0.883 12.8 143.1-109.8 115.1 -21.9 -19.9 40.3 83 60GB N E -P 76 0D 110 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.556 28.2-169.4-145.0 75.4 -22.2 -23.6 39.9 84 60HB F - 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