==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-05 2A0Q . COMPND 2 MOLECULE: THROMBIN, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.PAPACONSTANTINOU,C.J.CARRELL,A.O.PINEDA,K.M.BOBOFCHAK, . 545 7 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 62.6 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 . 151 27.7 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 . 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 . 37 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.0 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 1 1 3 0 0 3 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 . 8 8 1 7 6 4 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 1BA A 0 0 121 0, 0.0 149,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.8 10.2 -9.1 75.7 2 1AA D > + 0 0 75 147,-0.0 3,-1.3 3,-0.0 148,-0.1 0.180 360.0 139.3-107.9 4.5 13.7 -9.3 74.5 3 1 A a T 3 + 0 0 30 1,-0.2 146,-0.2 146,-0.1 147,-0.1 -0.101 62.7 16.6 -53.0 149.5 13.5 -5.7 73.3 4 2 A G T 3 S+ 0 0 0 144,-2.8 232,-1.8 231,-0.2 2,-0.6 0.580 93.1 110.8 67.2 8.6 16.5 -3.3 73.9 5 3 A L < - 0 0 30 -3,-1.3 -1,-0.1 143,-0.3 230,-0.1 -0.963 63.0-141.2-115.3 112.1 19.0 -6.1 74.6 6 4 A R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.3 -0.578 6.5-138.2 -81.5 134.7 21.5 -6.3 71.7 7 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.845 104.3 42.8 -54.7 -38.9 22.8 -9.7 70.6 8 6 A L T 3 5S+ 0 0 27 136,-0.5 34,-0.1 33,-0.3 -2,-0.0 0.428 129.9 19.6 -93.3 2.6 26.4 -8.5 70.2 9 7 A F T X>>S+ 0 0 13 -3,-1.3 5,-2.5 32,-0.1 3,-1.6 0.429 127.5 26.3-131.0 -84.5 26.5 -6.5 73.4 10 8 A E G >45S+ 0 0 20 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.874 122.6 53.8 -55.5 -39.3 24.1 -7.0 76.3 11 9 A K G 34> S+ 0 0 35 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.447 86.2 97.6-130.6 2.6 30.7 4.9 74.5 19 14CA E H >> S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.3 3,-0.5 0.803 78.3 68.3 -64.1 -23.5 27.8 3.6 76.6 20 14DA R H 3> S+ 0 0 94 -4,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.872 94.3 57.6 -60.1 -36.6 29.8 4.2 79.7 21 14EA E H <> S+ 0 0 50 -3,-1.2 4,-1.3 2,-0.2 -1,-0.3 0.844 105.6 49.6 -61.6 -35.9 29.4 7.9 78.9 22 14FA L H X S+ 0 0 30 -4,-2.1 3,-1.0 1,-0.2 4,-0.6 0.889 109.5 54.6 -63.3 -38.5 25.6 5.7 82.3 24 14HA E H >X S+ 0 0 96 -4,-2.5 4,-3.2 1,-0.2 3,-1.1 0.837 96.7 64.8 -65.2 -30.4 28.0 8.3 83.8 25 14IA S H 3X S+ 0 0 5 -4,-1.3 4,-1.8 1,-0.3 5,-0.4 0.779 93.0 62.6 -64.7 -21.8 25.6 11.1 82.8 26 14JA Y H << S+ 0 0 27 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.807 115.6 31.9 -70.9 -28.5 23.1 9.6 85.3 27 14KA I H << S+ 0 0 127 -3,-1.1 -2,-0.2 -4,-0.6 3,-0.2 0.898 134.1 27.3 -89.6 -53.1 25.7 10.3 88.1 28 14LA D H < S+ 0 0 125 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.717 108.8 64.9 -85.3 -26.8 27.3 13.5 86.7 29 14MA G < 0 0 35 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.2 0.736 360.0 360.0 -73.4 -23.0 24.7 15.2 84.5 30 14NA R 0 0 207 -5,-0.4 -1,-0.1 -3,-0.2 134,-0.1 -0.978 360.0 360.0-147.6 360.0 22.2 16.0 87.2 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 B I 0 0 12 0, 0.0 2,-0.3 0, 0.0 185,-0.2 0.000 360.0 360.0 360.0 135.3 25.2 13.0 61.8 33 17 B V B +A 216 0A 38 183,-2.1 183,-1.7 1,-0.1 3,-0.1 -0.943 360.0 10.9-124.6 147.8 28.0 15.6 62.3 34 18 B E S S+ 0 0 42 -2,-0.3 180,-0.2 181,-0.2 -1,-0.1 0.772 100.6 111.7 58.0 31.8 30.8 15.4 64.8 35 19 B G - 0 0 7 -3,-0.1 2,-0.3 145,-0.1 145,-0.2 -0.222 58.8-118.8-112.6-156.1 30.1 11.9 65.8 36 20 B S E -B 179 0B 43 143,-2.3 143,-2.6 -2,-0.1 2,-0.1 -0.928 34.9 -70.3-145.7 171.2 32.0 8.6 65.3 37 21 B D E -B 178 0B 104 -2,-0.3 141,-0.2 141,-0.2 2,-0.2 -0.377 47.5-130.9 -64.7 135.4 31.7 5.2 63.7 38 22 B A - 0 0 5 139,-2.8 2,-0.2 59,-0.1 139,-0.1 -0.510 23.2-113.3 -81.8 153.2 29.3 2.9 65.3 39 23 B E > - 0 0 41 -2,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.520 47.1 -81.5 -81.7 158.3 30.4 -0.6 66.1 40 24 B I T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.390 117.2 8.3 -62.2 133.3 28.8 -3.5 64.2 41 25 B G T 3 S+ 0 0 10 2,-0.1 -33,-0.3 104,-0.1 -1,-0.3 0.616 90.1 126.6 71.6 14.7 25.5 -4.4 65.8 42 26 B M S < S+ 0 0 5 -3,-2.0 -2,-0.1 1,-0.3 -36,-0.1 0.792 83.5 23.5 -73.2 -27.3 25.6 -1.3 68.0 43 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.570 70.0 166.2-138.2 70.9 22.2 -0.1 66.9 44 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.586 75.1 61.7 -66.8 -9.0 20.4 -3.2 65.6 45 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 104,-0.1 0.410 77.1 123.4 -93.4 -2.1 17.0 -1.3 65.6 46 30 B Q E < -J 62 0C 7 -3,-2.1 49,-1.0 16,-0.2 2,-0.4 -0.385 39.5-175.7 -62.0 134.5 18.4 1.2 63.1 47 31 B V E -JK 61 94C 0 14,-2.1 14,-1.4 47,-0.2 2,-0.5 -0.991 17.3-147.3-133.8 140.3 16.3 1.4 59.9 48 32 B M E -JK 60 93C 2 45,-2.4 45,-2.3 -2,-0.4 2,-0.7 -0.922 12.5-147.9-105.8 132.4 16.9 3.5 56.7 49 33 B L E -JK 59 92C 0 10,-2.9 9,-2.9 -2,-0.5 10,-1.5 -0.904 21.9-171.3-104.6 118.0 13.9 4.8 54.9 50 34 B F E -JK 57 91C 12 41,-2.9 41,-1.9 -2,-0.7 2,-0.4 -0.828 30.0-123.0-112.0 145.4 14.4 5.0 51.2 51 35 B R E > -JK 56 90C 80 5,-3.1 5,-1.4 -2,-0.3 39,-0.3 -0.701 30.5-137.8 -75.5 135.5 12.5 6.4 48.3 52 36 B K T 5S+ 0 0 84 37,-3.0 3,-0.2 -2,-0.4 -1,-0.1 0.935 77.7 37.2 -66.2 -47.7 12.0 3.3 46.1 53 36AB S T 5S+ 0 0 92 1,-0.4 -1,-0.3 36,-0.4 2,-0.2 -0.850 117.2 29.2-164.2 126.9 12.7 5.1 42.8 54 37 B P T 5S- 0 0 99 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.522 108.0-115.9 -64.3 155.3 14.6 7.2 42.2 55 38 B Q T 5 + 0 0 150 -2,-0.2 2,-0.3 -3,-0.2 -3,-0.2 -0.428 50.7 157.3 -63.2 125.2 16.7 5.7 45.0 56 39 B E E < -J 51 0C 85 -5,-1.4 -5,-3.1 -2,-0.2 2,-0.7 -0.897 44.9-129.7-157.1 126.2 17.0 8.2 47.8 57 40 B L E +J 50 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.661 35.5 173.0 -73.0 112.8 17.8 7.9 51.5 58 41 B L E - 0 0 26 -9,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.879 50.3 -30.9 -89.6 -43.7 15.0 10.0 53.0 59 42 B b E -J 49 0C 4 -10,-1.5 -10,-2.9 162,-0.1 -1,-0.3 -0.947 57.9 -95.9-163.3 175.7 15.2 9.5 56.7 60 43 B G E +J 48 0C 5 162,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.436 38.8 172.6 -96.2 177.9 16.1 7.3 59.6 61 44 B A E -J 47 0C 0 -14,-1.4 -14,-2.1 -2,-0.2 2,-0.3 -0.937 21.2-123.3-171.6 176.9 13.6 5.1 61.4 62 45 B S E -JL 46 70C 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.6 -0.995 14.5-121.7-144.1 148.1 13.6 2.3 64.1 63 46 B L E + L 0 69C 0 -18,-2.4 86,-2.1 -2,-0.3 6,-0.2 -0.768 30.3 167.9 -90.7 120.2 12.5 -1.2 64.4 64 47 B I - 0 0 22 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.489 69.5 -8.6-109.2 -8.7 10.0 -1.7 67.4 65 48 B S S S- 0 0 35 3,-1.1 -1,-0.2 85,-0.1 3,-0.2 -0.932 88.7 -79.0-166.6-176.3 8.8 -5.2 66.6 66 49 B D S S+ 0 0 74 -2,-0.3 74,-2.5 1,-0.2 3,-0.1 0.601 129.2 25.6 -75.5 -4.6 9.1 -7.7 63.7 67 50 B R S S+ 0 0 75 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.415 108.5 76.9-133.2 -2.7 6.4 -5.8 61.7 68 51 B W E - M 0 135C 7 67,-0.2 -4,-2.2 -3,-0.2 -3,-1.1 -0.953 47.8-173.0-124.4 135.8 6.5 -2.2 62.8 69 52 B V E -LM 63 134C 0 65,-2.4 65,-2.4 -2,-0.4 2,-0.4 -0.980 14.2-147.1-124.7 131.8 8.9 0.6 62.1 70 53 B L E +LM 62 133C 0 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.2 -0.820 31.0 145.1 -99.6 137.6 8.7 4.0 63.9 71 54 B T E - M 0 132C 0 61,-2.5 61,-2.3 -2,-0.4 2,-0.4 -0.849 49.5 -72.8-151.8-171.5 9.7 7.3 62.1 72 55 B A > - 0 0 0 -12,-0.4 3,-1.2 59,-0.3 4,-0.4 -0.739 31.6-133.8 -93.3 143.4 8.9 11.0 61.9 73 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.2 3,-2.0 0.890 103.0 62.6 -60.7 -38.7 5.7 12.1 60.1 74 57 B H G 34 S+ 0 0 10 1,-0.3 -1,-0.2 2,-0.2 9,-0.0 0.673 92.9 64.8 -65.2 -14.1 7.4 14.8 58.1 75 58 B b G <4 S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.708 117.8 26.8 -73.8 -23.8 9.6 12.2 56.4 76 59 B L T <4 S+ 0 0 2 -3,-2.0 9,-1.5 -4,-0.4 2,-0.4 0.679 128.6 33.0-110.7 -27.0 6.3 10.9 54.8 77 60 B L E < +P 84 0D 39 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.945 52.2 141.1-143.6 117.8 4.0 13.9 54.7 78 60AB Y E > > -P 83 0D 57 5,-2.9 5,-1.8 -2,-0.4 3,-1.8 -0.590 23.6-168.7-153.4 83.5 4.9 17.5 54.2 79 60BB P G > 5S+ 0 0 56 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.807 80.3 68.7 -44.5 -43.3 2.3 19.4 52.0 80 60CB P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.815 110.7 35.8 -50.3 -30.8 4.4 22.6 51.5 81 60DB W G < 5S- 0 0 129 -3,-1.8 3,-0.1 2,-0.1 0, 0.0 0.158 117.8-109.6-107.2 13.4 6.9 20.6 49.4 82 60EB D T < 5 + 0 0 155 -3,-2.8 2,-0.7 1,-0.2 0, 0.0 0.762 65.6 156.2 66.0 24.8 4.2 18.4 47.8 83 60FB K E < +P 78 0D 46 -5,-1.8 -5,-2.9 1,-0.1 -1,-0.2 -0.749 5.4 138.3 -90.0 115.6 5.5 15.4 49.9 84 60GB N E -P 77 0D 115 -2,-0.7 -7,-0.2 -7,-0.2 -8,-0.1 -0.399 30.0-167.9-156.9 70.8 2.9 12.7 50.4 85 60HB F - 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