==== 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 16-NOV-10 3PMB . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.T.WRIGHT,J.N.SCARSDALE,B.J.DESAI . 547 7 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 60.1 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 . 142 26.0 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 . 2 0.4 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 . 32 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 3 2 3 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 1 6 8 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 . 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 0 114 0, 0.0 3,-0.4 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 122.8 1.4 -36.4 23.2 2 1BA A + 0 0 115 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.752 360.0 39.3 -77.3 -25.2 4.5 -36.8 21.0 3 1AA D S > S+ 0 0 65 137,-0.1 3,-1.0 2,-0.0 -1,-0.2 0.281 86.8 128.6-109.7 7.3 3.9 -33.6 19.0 4 1 A a T 3 + 0 0 20 -3,-0.4 136,-0.2 1,-0.2 3,-0.1 -0.228 62.2 30.7 -65.1 152.9 2.7 -31.3 21.8 5 2 A G T 3 S+ 0 0 0 134,-1.5 228,-1.0 227,-0.2 2,-0.7 0.063 91.3 104.8 90.8 -24.7 4.2 -27.9 22.4 6 3 A L < - 0 0 41 -3,-1.0 -1,-0.1 133,-0.2 226,-0.1 -0.825 65.0-142.1 -97.3 115.4 5.1 -27.3 18.8 7 4 A R > > - 0 0 0 -2,-0.7 3,-2.3 1,-0.1 5,-2.1 -0.635 7.3-140.0 -80.8 124.5 2.8 -24.7 17.1 8 5 A P T 3 5S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 127,-0.1 0.824 105.9 42.6 -47.7 -39.6 1.8 -25.5 13.5 9 6 A L T 3 5S+ 0 0 34 126,-0.4 32,-0.1 31,-0.3 126,-0.0 0.360 131.8 18.2 -91.5 3.3 2.1 -21.8 12.6 10 7 A F T X>>S+ 0 0 9 -3,-2.3 5,-1.8 30,-0.1 4,-0.7 0.523 125.8 32.4-133.5 -74.3 5.3 -21.2 14.7 11 8 A E T 345S+ 0 0 17 -4,-0.3 -5,-0.1 1,-0.2 -2,-0.1 0.766 121.9 51.2 -65.6 -27.2 7.6 -24.0 15.8 12 9 A K T 34 - 0 0 5 -2,-0.5 3,-1.4 1,-0.1 4,-0.4 0.014 31.5-100.9 -63.0 166.6 6.0 -15.0 17.8 18 14AA Q T 3 S+ 0 0 147 1,-0.3 4,-0.1 2,-0.1 -1,-0.1 0.709 118.1 37.2 -63.8 -25.2 6.3 -11.2 18.6 19 14BA T T 3> S+ 0 0 11 1,-0.1 4,-0.8 2,-0.1 -1,-0.3 0.154 84.6 99.9-116.5 18.7 6.8 -11.7 22.4 20 14CA E H X> S+ 0 0 6 -3,-1.4 4,-1.6 1,-0.2 3,-0.9 0.918 79.0 56.7 -66.4 -47.3 8.9 -14.8 22.6 21 14DA K H 3> S+ 0 0 151 -4,-0.4 4,-1.7 1,-0.3 -1,-0.2 0.850 99.8 62.4 -52.1 -38.1 12.2 -12.9 23.1 22 14EA E H 3> S+ 0 0 56 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.870 105.8 45.1 -54.5 -42.4 10.6 -11.4 26.2 23 14FA L H XX S+ 0 0 0 -3,-0.9 3,-1.1 -4,-0.8 4,-0.8 0.984 112.9 44.7 -68.9 -62.2 10.2 -14.8 27.8 24 14GA F H 3X S+ 0 0 65 -4,-1.6 4,-0.6 1,-0.3 3,-0.4 0.765 108.1 62.2 -55.2 -29.5 13.7 -16.4 27.2 25 14HA E H >< S+ 0 0 122 -4,-1.7 3,-0.9 -5,-0.3 -1,-0.3 0.871 96.6 56.9 -65.1 -39.8 15.2 -13.1 28.2 26 14IA S H << S+ 0 0 12 -3,-1.1 3,-0.3 -4,-1.0 -1,-0.2 0.766 95.2 68.1 -64.1 -26.4 13.8 -13.3 31.8 27 14JA Y H 3< S+ 0 0 31 -4,-0.8 2,-1.1 -3,-0.4 -1,-0.2 0.811 91.2 61.2 -64.4 -34.2 15.5 -16.7 32.2 28 14KA I << 0 0 142 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.0 -0.541 360.0 360.0 -94.6 66.6 19.0 -15.1 32.2 29 14LA E 0 0 225 -2,-1.1 -1,-0.1 -3,-0.3 0, 0.0 -0.399 360.0 360.0 60.1 360.0 18.4 -12.9 35.3 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 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.8 -6.7 -10.0 30.0 32 17 B V B 3 +A 213 0A 12 181,-2.4 181,-1.5 1,-0.2 135,-0.1 -0.743 360.0 2.4 -89.8 136.6 -5.8 -6.6 31.4 33 18 B E T 3 S+ 0 0 127 133,-0.5 -1,-0.2 -2,-0.4 178,-0.2 0.791 102.8 123.3 57.8 32.8 -2.9 -4.7 29.9 34 19 B G < - 0 0 24 -3,-0.6 2,-0.3 143,-0.1 143,-0.2 -0.199 51.7-128.8 -99.6-162.7 -2.3 -7.4 27.3 35 20 B Q E -B 176 0B 101 141,-1.7 141,-2.4 -2,-0.1 2,-0.1 -0.962 34.1 -72.1-148.9 162.4 -2.3 -7.1 23.5 36 21 B D E -B 175 0B 105 -2,-0.3 139,-0.2 139,-0.2 2,-0.1 -0.370 53.4-127.9 -58.5 126.8 -3.8 -8.8 20.4 37 22 B A - 0 0 13 137,-3.1 137,-0.1 -2,-0.1 2,-0.1 -0.416 21.1-108.5 -73.4 151.5 -2.4 -12.2 19.9 38 23 B E > - 0 0 66 1,-0.1 3,-1.6 -2,-0.1 2,-0.3 -0.393 51.0 -79.5 -70.9 160.0 -0.9 -13.3 16.5 39 24 B V T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.1 97,-0.0 -0.483 117.4 7.4 -67.8 120.0 -2.8 -15.8 14.5 40 25 B G T 3 S+ 0 0 15 -2,-0.3 -31,-0.3 2,-0.1 -1,-0.3 0.696 83.9 135.4 82.4 22.7 -2.2 -19.3 15.9 41 26 B L S < S+ 0 0 6 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.828 81.1 22.6 -70.0 -34.1 -0.3 -18.1 19.0 42 27 B S > + 0 0 11 -4,-0.2 3,-1.8 1,-0.1 -1,-0.3 -0.692 64.7 168.9-136.0 80.7 -2.1 -20.5 21.3 43 28 B P T 3 S+ 0 0 4 0, 0.0 95,-1.0 0, 0.0 -1,-0.1 0.676 79.0 63.3 -69.4 -16.9 -3.6 -23.5 19.4 44 29 B W T 3 S+ 0 0 3 93,-0.2 18,-1.5 95,-0.1 2,-0.2 0.414 76.1 126.4 -82.9 -0.3 -4.4 -25.2 22.7 45 30 B Q E < -J 61 0C 13 -3,-1.8 49,-0.6 16,-0.2 2,-0.4 -0.411 38.9-174.1 -63.8 127.2 -6.8 -22.4 23.6 46 31 B V E -JK 60 93C 1 14,-2.1 14,-1.9 -2,-0.2 2,-0.5 -0.975 14.5-147.3-123.2 138.8 -10.2 -23.6 24.5 47 32 B M E -JK 59 92C 16 45,-2.6 45,-1.3 -2,-0.4 2,-0.7 -0.922 6.5-151.6-103.2 129.4 -13.3 -21.5 25.2 48 33 B L E -JK 58 91C 0 10,-3.1 9,-2.8 -2,-0.5 10,-1.6 -0.910 22.7-173.3-100.7 115.1 -15.9 -22.7 27.7 49 34 B F E -JK 56 90C 30 41,-2.8 41,-2.0 -2,-0.7 2,-0.3 -0.808 27.4-120.0-110.2 148.0 -19.3 -21.4 26.8 50 35 B R E - K 0 89C 71 5,-2.2 5,-0.4 -2,-0.3 39,-0.2 -0.666 21.7-141.0 -76.8 140.4 -22.6 -21.5 28.5 51 36 B K S S+ 0 0 101 37,-2.7 3,-0.4 -2,-0.3 38,-0.1 0.876 81.9 47.0 -71.8 -38.5 -25.1 -23.3 26.3 52 36AB S S S+ 0 0 91 1,-0.5 -1,-0.3 36,-0.4 2,-0.1 -0.854 125.7 12.9-161.0 113.7 -28.0 -21.0 27.2 53 37 B P S S- 0 0 92 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 0.573 101.6-129.4 -76.1 144.9 -27.8 -18.1 27.2 54 38 B Q + 0 0 142 -3,-0.4 2,-0.3 -2,-0.1 -3,-0.2 -0.452 47.0 143.6 -71.8 123.8 -24.4 -18.4 25.4 55 39 B E - 0 0 88 -5,-0.4 -5,-2.2 -2,-0.3 2,-0.4 -0.971 57.8 -97.0-155.3 141.2 -21.7 -16.4 27.1 56 40 B L E +J 49 0C 41 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.520 42.8 172.1 -64.4 120.9 -18.0 -17.0 27.6 57 41 B L E - 0 0 26 -9,-2.8 160,-0.3 1,-0.4 2,-0.3 0.819 58.2 -18.5 -95.1 -42.0 -17.7 -18.5 31.1 58 42 B b E -J 48 0C 6 -10,-1.6 -10,-3.1 160,-0.1 -1,-0.4 -0.983 57.8-111.6-161.5 154.9 -14.1 -19.5 31.2 59 43 B G E +J 47 0C 5 160,-1.8 12,-0.4 -2,-0.3 2,-0.3 -0.441 36.3 177.2 -82.1 170.3 -11.0 -20.3 29.2 60 44 B A E -J 46 0C 0 -14,-1.9 -14,-2.1 -2,-0.2 2,-0.3 -0.920 19.0-118.1-159.6-179.5 -9.6 -23.8 29.1 61 45 B S E -JL 45 69C 0 8,-2.7 8,-2.5 -2,-0.3 2,-0.6 -0.951 11.2-127.8-135.8 155.4 -6.8 -25.8 27.4 62 46 B L E + L 0 68C 0 -18,-1.5 78,-2.8 -2,-0.3 6,-0.2 -0.897 29.2 166.6-102.1 116.5 -6.2 -28.7 25.0 63 47 B I - 0 0 14 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.620 68.7 -2.8-107.9 -19.4 -3.9 -31.3 26.4 64 48 B S S S- 0 0 26 3,-1.2 -1,-0.2 77,-0.1 76,-0.1 -0.869 88.2 -84.0-150.7-174.0 -4.5 -34.2 23.9 65 49 B D S S+ 0 0 66 -2,-0.3 66,-3.1 1,-0.2 64,-0.1 0.620 129.1 26.1 -71.1 -10.4 -6.8 -34.8 21.0 66 50 B R S S+ 0 0 24 64,-0.2 61,-2.3 1,-0.1 2,-0.3 0.669 108.4 74.7-121.9 -31.8 -9.6 -35.8 23.4 67 51 B W E - M 0 126C 35 59,-0.2 -4,-1.9 57,-0.0 -3,-1.2 -0.710 50.5-165.1-104.0 142.3 -8.9 -34.1 26.8 68 52 B V E -LM 62 125C 0 57,-3.2 57,-3.6 -2,-0.3 2,-0.4 -0.969 10.2-149.6-122.4 136.7 -9.4 -30.5 27.9 69 53 B L E +LM 61 124C 0 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.3 -0.880 29.3 144.9-108.5 136.1 -8.0 -29.0 31.1 70 54 B T E - M 0 123C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.2 -0.917 49.2 -71.6-153.9 177.5 -9.7 -26.2 33.1 71 55 B A > - 0 0 0 -12,-0.4 3,-0.9 -2,-0.3 51,-0.3 -0.547 33.3-134.1 -79.3 145.3 -10.3 -24.8 36.6 72 56 B A G >> S+ 0 0 0 1,-0.2 3,-2.8 -2,-0.2 4,-2.3 0.933 102.9 60.6 -61.8 -47.4 -12.7 -26.6 38.9 73 57 B H G 34 S+ 0 0 35 1,-0.3 -1,-0.2 2,-0.2 9,-0.0 0.547 90.1 71.5 -62.0 -10.2 -14.5 -23.4 40.0 74 58 B b G <4 S+ 0 0 1 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.660 115.9 22.7 -75.4 -17.9 -15.6 -22.9 36.4 75 59 B L T <4 S+ 0 0 0 -3,-2.8 9,-2.3 1,-0.2 2,-0.5 0.711 128.9 39.1-115.4 -39.5 -17.9 -25.9 36.9 76 60 B L E < +P 83 0D 40 -4,-2.3 -1,-0.2 7,-0.2 7,-0.2 -0.936 53.3 134.2-130.1 108.5 -18.5 -26.1 40.6 77 60AB Y E > > -P 82 0D 62 5,-2.2 5,-1.9 -2,-0.5 3,-0.8 -0.624 27.4-169.9-148.5 86.2 -19.0 -23.2 43.0 78 60BB P G > 5S+ 0 0 51 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.740 78.9 63.7 -50.0 -37.7 -22.0 -23.9 45.3 79 60CB P G 3 5S+ 0 0 70 0, 0.0 36,-0.0 0, 0.0 -2,-0.0 0.936 107.6 43.1 -57.0 -46.2 -22.3 -20.4 46.8 80 60DB W G < 5S- 0 0 195 -3,-0.8 -3,-0.0 2,-0.1 0, 0.0 0.256 123.8-110.3 -80.7 11.6 -23.1 -18.9 43.4 81 60EB D T < 5 + 0 0 154 -3,-1.9 2,-0.6 1,-0.2 -1,-0.0 0.766 66.1 155.8 71.3 30.5 -25.4 -21.9 42.9 82 60FB K E < +P 77 0D 52 -5,-1.9 -5,-2.2 1,-0.1 -1,-0.2 -0.811 13.7 141.7-106.6 113.5 -23.1 -23.4 40.2 83 60GB N E -P 76 0D 117 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.527 32.8-162.3-145.0 71.5 -23.0 -27.1 39.4 84 60HB F - 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