==== 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 08-DEC-05 2C8Y . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.HOWARD,C.ABELL,W.BLAKEMORE,R.CARR,G.CHESSARI,M.CONGREVE,S. . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 59.0 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 26.2 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.0 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 0 0 1 2 0 0 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 -3 A G 0 0 113 0, 0.0 148,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 137.4 4.8 50.5 48.1 2 -2 A E > - 0 0 63 61,-0.3 3,-2.1 146,-0.2 148,-0.0 -0.362 360.0-118.6 -65.5 138.8 6.3 51.5 51.5 3 -1 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.872 107.5 27.1 -44.8 -62.9 8.6 54.5 51.2 4 0 A D T > S+ 0 0 82 2,-0.0 3,-1.2 144,-0.0 -1,-0.3 0.127 90.5 147.0 -92.5 21.5 11.9 52.9 52.4 5 1 A a T < + 0 0 7 -3,-2.1 143,-0.2 1,-0.2 144,-0.1 -0.163 61.5 10.7 -63.8 145.1 11.0 49.3 51.4 6 2 A G T 3 S+ 0 0 0 141,-2.8 236,-2.0 1,-0.2 2,-0.6 0.538 90.9 117.2 75.5 5.6 13.6 46.8 50.3 7 3 A L < - 0 0 39 -3,-1.2 -1,-0.2 140,-0.3 234,-0.1 -0.960 59.4-140.6-107.9 118.8 16.6 48.9 51.3 8 4 A R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.9 -0.649 6.2-138.6 -87.9 127.3 18.6 47.0 53.9 9 5 A P T 3 5S+ 0 0 11 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.832 103.8 43.4 -50.8 -36.8 20.2 49.0 56.8 10 6 A L T 3 5S+ 0 0 32 133,-0.4 31,-0.1 30,-0.4 133,-0.0 0.346 130.5 17.8 -96.7 8.5 23.5 47.1 56.7 11 7 A F T X>>S+ 0 0 12 -3,-1.9 5,-2.2 29,-0.1 3,-1.1 0.312 128.8 26.7-136.5 -87.1 23.8 47.0 52.9 12 8 A E G >45S+ 0 0 26 1,-0.3 3,-1.1 3,-0.2 -5,-0.1 0.885 120.2 56.5 -52.4 -43.5 22.0 49.4 50.6 13 9 A K G 34> S+ 0 0 38 2,-0.1 3,-0.9 1,-0.1 4,-0.8 0.395 85.8 100.1-131.5 5.4 26.3 37.1 46.1 21 14CA E H 3> S+ 0 0 12 -3,-0.5 4,-2.0 1,-0.2 3,-0.3 0.765 79.7 66.1 -66.0 -24.4 23.9 39.9 44.9 22 14DA R H 3> S+ 0 0 131 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.864 93.4 60.4 -62.3 -33.8 26.3 40.5 42.0 23 14EA E H <> S+ 0 0 47 -3,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.863 105.5 48.2 -58.7 -38.4 25.3 37.0 40.7 24 14FA L H >X S+ 0 0 0 -4,-0.8 3,-0.7 -3,-0.3 4,-0.6 0.951 112.2 47.5 -64.8 -51.2 21.7 38.2 40.6 25 14GA L H >< S+ 0 0 92 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.903 108.2 54.8 -61.6 -42.0 22.7 41.4 38.7 26 14HA E H 3< S+ 0 0 136 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.803 104.0 57.9 -61.9 -27.4 24.8 39.4 36.2 27 14IA S H << S+ 0 0 17 -4,-1.0 2,-1.8 -3,-0.7 -1,-0.3 0.657 83.1 86.8 -74.6 -17.5 21.7 37.3 35.5 28 14JA Y << 0 0 28 -3,-1.4 -1,-0.2 -4,-0.6 136,-0.1 -0.474 360.0 360.0 -88.0 67.6 19.6 40.3 34.4 29 14KA I 0 0 171 -2,-1.8 -1,-0.2 -3,-0.0 -2,-0.1 0.906 360.0 360.0 -91.0 360.0 20.6 40.3 30.8 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 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.0 17.7 25.3 51.9 32 17 B V B +A 222 0A 13 190,-2.8 190,-1.5 1,-0.2 143,-0.1 -0.873 360.0 1.1-101.3 133.8 19.7 22.6 50.1 33 18 B E S S+ 0 0 128 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.750 102.2 123.2 58.1 31.3 23.2 23.5 48.7 34 19 B G - 0 0 29 -3,-0.3 2,-0.3 188,-0.1 152,-0.2 -0.217 54.6-121.6 -98.4-166.6 23.0 27.1 49.9 35 20 B S E -B 185 0B 61 150,-2.4 150,-2.8 -2,-0.1 2,-0.1 -0.858 35.6 -75.8-132.6 167.8 25.3 29.0 52.2 36 21 B D E -B 184 0B 97 -2,-0.3 148,-0.3 148,-0.2 147,-0.1 -0.450 51.3-118.5 -60.2 134.7 25.1 30.8 55.5 37 22 B A - 0 0 5 146,-3.2 2,-0.2 59,-0.1 -1,-0.1 -0.413 24.0-119.8 -65.2 147.6 23.4 34.2 55.3 38 23 B E > - 0 0 39 1,-0.1 3,-1.3 -2,-0.1 4,-0.3 -0.548 46.7 -80.7 -76.7 162.8 25.4 37.3 56.3 39 24 B I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.425 114.6 5.7 -70.8 134.3 24.1 39.4 59.1 40 25 B G T 3 S+ 0 0 12 -2,-0.1 -30,-0.4 55,-0.1 -1,-0.3 0.684 92.1 124.1 65.5 21.3 21.2 41.8 58.1 41 26 B M S < S+ 0 0 5 -3,-1.3 -2,-0.1 1,-0.3 3,-0.1 0.769 83.2 24.9 -82.1 -28.0 21.2 40.3 54.6 42 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.563 70.7 165.0-134.8 67.8 17.5 39.4 54.7 43 28 B P T 3 S+ 0 0 1 0, 0.0 103,-1.8 0, 0.0 51,-0.2 0.605 75.1 58.6 -70.4 -9.7 16.0 41.8 57.3 44 29 B W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 2,-0.3 0.338 77.1 120.8 -89.8 -0.8 12.5 41.0 56.1 45 30 B Q E < -J 61 0C 2 -3,-2.2 49,-0.9 16,-0.2 50,-0.4 -0.557 43.6-170.9 -73.0 128.3 12.9 37.3 56.9 46 31 B V E -JK 60 93C 0 14,-2.6 14,-1.2 -2,-0.3 2,-0.5 -0.917 14.8-143.8-118.7 143.6 10.3 36.1 59.4 47 32 B M E -JK 59 92C 0 45,-2.1 45,-2.5 -2,-0.4 2,-0.6 -0.935 9.8-144.2-103.2 129.5 10.2 32.8 61.3 48 33 B L E -JK 58 91C 0 10,-3.2 9,-3.4 -2,-0.5 10,-1.2 -0.872 27.4-170.4 -90.7 122.1 6.7 31.2 62.0 49 34 B F E -JK 56 90C 0 41,-2.6 41,-2.3 -2,-0.6 2,-0.3 -0.941 19.3-133.0-128.5 130.0 7.1 29.6 65.3 50 35 B R E > -JK 55 89C 83 5,-3.6 5,-1.1 -2,-0.4 39,-0.2 -0.660 8.8-149.4 -84.6 134.7 4.7 27.2 67.1 51 36 B K T 5S+ 0 0 38 37,-2.1 -1,-0.1 -2,-0.3 38,-0.1 0.974 80.7 47.5 -65.8 -55.8 4.1 28.0 70.8 52 37 B S T 5S+ 0 0 103 36,-0.4 -1,-0.3 1,-0.2 2,-0.2 -0.943 122.3 22.4-140.6 111.8 3.4 24.4 72.0 53 37AB P T 5S- 0 0 69 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.621 104.0-125.1 -65.1 160.5 5.5 22.4 71.1 54 38 B Q T 5 + 0 0 62 -2,-0.2 231,-0.4 231,-0.1 2,-0.3 -0.730 58.3 130.4 -82.5 109.1 8.1 25.1 70.5 55 39 B E E < -J 50 0C 65 -5,-1.1 -5,-3.6 -2,-0.8 2,-0.4 -0.995 62.8 -93.3-161.2 155.4 9.1 24.6 66.9 56 40 B L E +J 49 0C 35 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.605 35.0 175.2 -72.8 124.2 9.7 26.2 63.5 57 41 B L E - 0 0 23 -9,-3.4 2,-0.3 -2,-0.4 169,-0.2 0.840 56.9 -47.0 -93.6 -43.5 6.6 25.9 61.3 58 42 B b E -J 48 0C 4 -10,-1.2 -10,-3.2 169,-0.1 -1,-0.4 -0.955 56.1 -90.1-175.0 172.8 7.6 27.9 58.2 59 43 B G E +J 47 0C 2 169,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.406 38.5 171.9 -97.0-177.4 9.2 31.1 56.9 60 44 B A E -J 46 0C 0 -14,-1.2 -14,-2.6 -2,-0.1 2,-0.3 -0.942 22.6-120.4-177.5 167.6 7.4 34.3 56.1 61 45 B S E -JL 45 69C 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.6 -0.991 14.3-124.7-136.9 150.3 8.3 37.9 55.2 62 46 B L E + L 0 68C 0 -18,-1.9 86,-2.1 -2,-0.3 6,-0.2 -0.803 27.8 171.0 -90.2 114.5 7.7 41.4 56.7 63 47 B I S S- 0 0 15 4,-2.1 2,-0.3 -2,-0.6 -61,-0.3 0.468 70.8 -9.7-102.9 -6.5 6.0 43.7 54.1 64 48 B S S S- 0 0 23 3,-1.1 3,-0.4 85,-0.1 -1,-0.2 -0.931 90.6 -76.5-170.9 179.4 5.2 46.6 56.5 65 49 B D S S+ 0 0 73 -2,-0.3 74,-1.9 1,-0.2 72,-0.1 0.652 129.1 25.4 -70.0 -11.7 5.3 47.2 60.3 66 50 B R S S+ 0 0 34 72,-0.2 69,-2.3 1,-0.1 2,-0.4 0.427 107.9 77.9-128.6 3.5 2.1 45.2 60.9 67 51 B W E - M 0 134C 10 -3,-0.4 -4,-2.1 67,-0.2 -3,-1.1 -0.960 48.1-174.4-124.6 130.2 1.8 42.7 58.0 68 52 B V E -LM 62 133C 0 65,-2.5 65,-2.7 -2,-0.4 2,-0.4 -0.983 14.5-148.2-121.2 131.6 3.6 39.4 57.5 69 53 B L E +LM 61 132C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.2 -0.827 28.4 150.2-101.2 134.2 3.2 37.4 54.3 70 54 B T E - M 0 131C 0 61,-2.8 61,-1.8 -2,-0.4 2,-0.4 -0.809 47.6 -75.6-144.4-170.8 3.4 33.6 54.2 71 55 B A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.2 4,-0.4 -0.805 33.1-132.4 -94.5 136.3 2.2 30.6 52.3 72 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-2.5 0.897 104.8 61.8 -53.8 -44.1 -1.4 29.4 53.0 73 57 B H G 34 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.652 91.1 67.5 -64.8 -11.9 -0.3 25.8 53.4 74 58 B b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.705 117.7 24.7 -72.0 -19.6 1.8 26.9 56.4 75 59 B L T <4 S+ 0 0 2 -3,-2.5 9,-2.3 -4,-0.4 2,-0.4 0.732 130.6 31.9-111.4 -41.7 -1.5 27.6 58.2 76 60 B L E < +P 83 0D 40 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.973 53.6 137.8-132.3 115.5 -4.1 25.4 56.4 77 60AB Y E > > -P 82 0D 58 5,-2.4 5,-1.9 -2,-0.4 3,-1.9 -0.551 24.4-171.9-151.8 86.0 -3.6 22.0 54.9 78 60BB P G > 5S+ 0 0 46 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.712 78.4 65.7 -51.1 -36.8 -6.5 19.7 55.8 79 60CB P G 3 5S+ 0 0 69 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.694 110.5 38.9 -62.5 -20.1 -5.1 16.4 54.5 80 60DB W G < 5S- 0 0 192 -3,-1.9 3,-0.1 2,-0.1 0, 0.0 0.050 119.3-110.0-111.3 21.7 -2.3 16.6 57.2 81 60EB D T < 5 + 0 0 153 -3,-1.8 2,-0.5 1,-0.2 -5,-0.0 0.822 66.6 153.8 51.9 37.3 -4.7 17.9 59.8 82 60FB K E < +P 77 0D 50 -5,-1.9 -5,-2.4 1,-0.0 -1,-0.2 -0.857 3.6 138.5 -99.3 125.3 -3.1 21.3 59.7 83 60GB N E -P 76 0D 111 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.419 26.3-171.8-164.0 78.9 -5.2 24.3 60.7 84 60HB F - 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