==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 08-DEC-05 2C8X . 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) . 12990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 60.3 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 . 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.7 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 0 112 0, 0.0 2,-0.2 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0-164.3 4.1 50.3 48.4 2 -2 A E > - 0 0 65 61,-0.2 3,-0.7 146,-0.2 148,-0.1 -0.483 360.0-124.4 -78.8 152.4 6.1 51.6 51.3 3 -1 A A T 3 S+ 0 0 87 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 0.856 106.5 32.2 -66.6 -38.7 8.6 54.4 50.7 4 0 A D T > S+ 0 0 62 144,-0.0 3,-1.3 2,-0.0 -1,-0.2 0.249 87.3 141.1-105.1 12.1 11.8 52.7 52.0 5 1 A a T < + 0 0 10 -3,-0.7 143,-0.2 1,-0.2 3,-0.1 -0.129 65.7 13.3 -60.8 148.0 10.9 49.1 51.1 6 2 A G T 3 S+ 0 0 0 141,-2.8 236,-1.7 1,-0.2 2,-0.6 0.586 92.3 117.3 70.1 11.1 13.5 46.8 49.7 7 3 A L < - 0 0 28 -3,-1.3 -1,-0.2 140,-0.4 234,-0.1 -0.958 59.1-144.0-113.0 111.7 16.4 49.0 50.8 8 4 A R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.4 -0.621 6.8-142.0 -84.8 127.4 18.5 47.1 53.4 9 5 A P T 3 5S+ 0 0 17 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.848 102.8 43.7 -51.4 -39.6 20.0 49.1 56.3 10 6 A L T 3 5S+ 0 0 30 133,-0.5 31,-0.1 30,-0.3 29,-0.0 0.483 131.4 17.4 -90.2 -0.2 23.2 47.0 56.2 11 7 A F T X>>S+ 0 0 12 -3,-1.4 5,-2.5 29,-0.1 3,-0.8 0.437 128.8 26.1-129.5 -85.4 23.6 47.0 52.4 12 8 A E G >45S+ 0 0 20 1,-0.3 3,-1.2 3,-0.2 -5,-0.1 0.884 120.7 53.3 -56.1 -44.1 21.8 49.5 50.2 13 9 A K G 34> S+ 0 0 35 2,-0.1 3,-1.0 1,-0.0 4,-0.8 0.348 85.9 101.2-134.6 5.2 26.3 37.2 45.5 21 14CA E H >> S+ 0 0 17 -3,-0.4 4,-1.8 1,-0.2 3,-0.8 0.840 79.9 64.4 -59.7 -32.2 23.8 40.0 44.6 22 14DA R H 3> S+ 0 0 126 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.809 91.3 63.5 -61.2 -29.9 26.0 40.6 41.5 23 14EA E H <> S+ 0 0 50 -3,-1.0 4,-0.7 2,-0.2 -1,-0.2 0.871 104.1 48.8 -58.8 -35.7 25.1 37.1 40.3 24 14FA L H XX S+ 0 0 0 -3,-0.8 3,-1.0 -4,-0.8 4,-0.6 0.955 111.6 47.3 -69.6 -49.7 21.5 38.4 40.0 25 14GA L H >< S+ 0 0 99 -4,-1.8 3,-1.4 1,-0.3 -2,-0.2 0.897 108.0 55.6 -57.4 -43.5 22.5 41.6 38.1 26 14HA E H 3< S+ 0 0 132 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.737 105.1 54.5 -65.2 -21.3 24.7 39.6 35.7 27 14IA S H << S+ 0 0 15 -3,-1.0 2,-1.7 -4,-0.7 -1,-0.3 0.570 84.5 87.1 -84.1 -13.8 21.6 37.4 34.9 28 14JA Y << 0 0 29 -3,-1.4 -1,-0.2 -4,-0.6 136,-0.1 -0.494 360.0 360.0 -90.4 68.2 19.4 40.4 34.0 29 14KA I 0 0 173 -2,-1.7 -1,-0.2 -3,-0.0 -2,-0.1 0.667 360.0 360.0 -85.5 360.0 20.5 40.5 30.4 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,-0.4 0.000 360.0 360.0 360.0 128.0 17.7 25.3 51.4 32 17 B V B -A 222 0A 12 190,-3.0 190,-1.5 1,-0.2 143,-0.1 -0.842 360.0 -1.2 -99.2 134.4 19.7 22.7 49.6 33 18 B E S S+ 0 0 129 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.776 101.1 128.2 59.8 31.7 23.2 23.6 48.3 34 19 B G - 0 0 27 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.021 52.1-124.1 -91.3-157.3 22.9 27.2 49.6 35 20 B S E -B 185 0B 49 150,-1.7 150,-2.6 -3,-0.1 2,-0.2 -0.924 36.9 -75.5-144.4 165.2 25.3 29.1 51.7 36 21 B D E -B 184 0B 98 -2,-0.3 148,-0.3 148,-0.2 147,-0.1 -0.460 51.8-117.9 -62.0 134.0 25.0 31.0 55.1 37 22 B A - 0 0 7 146,-3.4 2,-0.2 -2,-0.2 -1,-0.1 -0.337 26.5-115.4 -62.8 150.7 23.2 34.3 54.8 38 23 B E > - 0 0 57 1,-0.1 3,-1.7 -2,-0.0 4,-0.3 -0.543 44.7 -83.8 -78.4 159.7 25.2 37.4 55.7 39 24 B I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.441 116.9 7.3 -65.6 133.0 24.0 39.5 58.6 40 25 B G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.574 93.1 126.3 68.6 12.0 21.1 41.8 57.6 41 26 B M S < S+ 0 0 3 -3,-1.7 -2,-0.1 1,-0.3 3,-0.1 0.808 82.6 20.5 -70.7 -32.5 21.0 40.2 54.1 42 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.572 70.2 167.0-136.7 67.8 17.3 39.4 54.2 43 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.602 75.8 60.2 -69.9 -8.3 15.9 41.7 56.8 44 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 2,-0.2 0.401 77.4 119.4 -90.3 -2.9 12.3 41.0 55.6 45 30 B Q E < -J 61 0C 2 -3,-2.5 49,-0.9 16,-0.2 50,-0.4 -0.502 44.5-170.9 -69.4 132.1 12.8 37.2 56.4 46 31 B V E -JK 60 93C 0 14,-2.1 14,-1.2 -2,-0.2 2,-0.5 -0.943 16.9-140.4-123.8 141.6 10.3 36.0 59.0 47 32 B M E -JK 59 92C 0 45,-2.9 45,-2.8 -2,-0.4 2,-0.6 -0.932 11.5-144.5 -99.2 125.0 10.1 32.7 60.9 48 33 B L E -JK 58 91C 0 10,-3.0 9,-3.1 -2,-0.5 10,-1.1 -0.834 27.6-166.5 -86.4 120.2 6.6 31.2 61.4 49 34 B F E -JK 56 90C 0 41,-3.6 41,-2.8 -2,-0.6 2,-0.3 -0.928 18.9-134.8-124.8 125.6 6.9 29.6 64.8 50 35 B R E > -JK 55 89C 83 5,-3.2 5,-1.1 -2,-0.4 39,-0.2 -0.663 12.8-146.3 -78.0 133.3 4.5 27.2 66.5 51 36 B K T 5S+ 0 0 29 37,-2.7 -1,-0.1 -2,-0.3 38,-0.1 0.969 79.3 47.7 -65.7 -54.7 3.8 28.1 70.1 52 37 B S T 5S+ 0 0 105 36,-0.4 -1,-0.3 1,-0.3 2,-0.1 -0.966 120.1 21.8-142.6 119.9 3.5 24.5 71.5 53 37AB P T 5S- 0 0 77 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.627 104.1-121.5 -69.9 155.4 5.5 22.5 70.8 54 38 B Q T 5 + 0 0 44 -2,-0.1 231,-0.4 -3,-0.1 2,-0.3 -0.555 58.7 131.2 -73.7 111.5 8.1 25.2 70.0 55 39 B E E < -J 50 0C 69 -5,-1.1 -5,-3.2 -2,-0.6 2,-0.3 -0.994 60.6 -96.4-160.6 154.8 9.1 24.7 66.4 56 40 B L E +J 49 0C 28 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.604 34.2 173.8 -72.8 131.7 9.7 26.2 63.0 57 41 B L E - 0 0 28 -9,-3.1 2,-0.3 1,-0.4 169,-0.2 0.781 57.3 -41.3 -98.5 -49.6 6.7 25.8 60.7 58 42 B b E -J 48 0C 6 -10,-1.1 -10,-3.0 169,-0.1 -1,-0.4 -0.945 56.8 -90.3-165.1 171.3 7.7 27.9 57.7 59 43 B G E +J 47 0C 1 169,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.377 38.6 171.5 -88.3 179.3 9.2 31.1 56.4 60 44 B A E -J 46 0C 0 -14,-1.2 -14,-2.1 10,-0.1 2,-0.3 -0.921 22.5-119.1-173.3 174.9 7.4 34.3 55.7 61 45 B S E -JL 45 69C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -1.000 13.3-125.2-141.3 146.5 8.2 37.9 54.8 62 46 B L E + L 0 68C 0 -18,-2.2 86,-2.2 -2,-0.3 6,-0.2 -0.770 30.5 166.3 -86.5 117.9 7.7 41.3 56.2 63 47 B I - 0 0 17 4,-2.0 2,-0.3 -2,-0.6 -61,-0.2 0.517 69.5 -5.2-112.2 -10.1 5.9 43.7 53.8 64 48 B S S S- 0 0 27 3,-1.2 -1,-0.3 85,-0.1 3,-0.2 -0.918 89.6 -80.1-158.7-176.7 5.0 46.5 56.2 65 49 B D S S+ 0 0 69 -2,-0.3 74,-2.2 1,-0.2 72,-0.1 0.684 128.9 22.3 -66.0 -16.3 5.2 47.2 60.0 66 50 B R S S+ 0 0 26 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.404 108.5 78.4-130.5 4.6 2.0 45.0 60.6 67 51 B W E - M 0 134C 6 67,-0.2 -4,-2.0 -3,-0.2 -3,-1.2 -0.944 49.1-173.1-124.2 134.4 1.6 42.7 57.6 68 52 B V E -LM 62 133C 0 65,-1.9 65,-2.3 -2,-0.4 2,-0.4 -0.997 13.3-146.0-127.4 132.8 3.5 39.4 57.0 69 53 B L E +LM 61 132C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.3 -0.771 30.1 146.7 -99.7 139.0 3.2 37.4 53.8 70 54 B T E - M 0 131C 0 61,-2.3 61,-2.2 -2,-0.4 2,-0.4 -0.898 49.5 -73.9-152.7-177.6 3.4 33.6 53.7 71 55 B A > - 0 0 0 -12,-0.4 3,-1.7 -2,-0.3 4,-0.5 -0.733 33.3-133.3 -86.7 134.7 2.1 30.5 51.9 72 56 B A G >> S+ 0 0 0 -2,-0.4 4,-3.1 1,-0.3 3,-2.0 0.866 104.2 62.6 -49.2 -41.3 -1.4 29.4 52.6 73 57 B H G 34 S+ 0 0 27 1,-0.3 -1,-0.3 2,-0.2 176,-0.0 0.642 91.8 65.2 -69.6 -14.1 -0.4 25.8 53.0 74 58 B b G <4 S+ 0 0 1 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.695 118.7 25.1 -71.6 -24.9 1.8 26.8 56.0 75 59 B L T <4 S+ 0 0 3 -3,-2.0 9,-2.1 -4,-0.5 2,-0.4 0.693 131.0 33.6-107.1 -35.9 -1.4 27.7 57.8 76 60 B L E < +P 83 0D 32 -4,-3.1 -1,-0.3 7,-0.2 7,-0.2 -0.959 54.6 137.5-135.8 112.9 -4.1 25.5 56.0 77 60AB Y E > > -P 82 0D 58 5,-2.6 3,-1.8 -2,-0.4 5,-1.6 -0.536 22.5-174.6-150.0 81.6 -3.6 22.0 54.6 78 60BB P G > 5S+ 0 0 45 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.770 76.8 68.4 -47.9 -40.3 -6.6 19.8 55.5 79 60CB P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.823 110.9 35.4 -54.6 -31.2 -5.2 16.5 54.1 80 60DB W G < 5S- 0 0 191 -3,-1.8 -3,-0.0 2,-0.1 0, 0.0 0.010 120.2-107.5-105.6 24.3 -2.6 16.5 56.9 81 60EB D T < 5 + 0 0 152 -3,-2.6 2,-0.6 1,-0.2 -5,-0.0 0.847 67.2 152.1 50.7 41.9 -5.0 18.0 59.5 82 60FB K E < +P 77 0D 53 -5,-1.6 -5,-2.6 1,-0.1 -1,-0.2 -0.918 3.4 140.0-102.5 116.8 -3.3 21.4 59.4 83 60GB N E -P 76 0D 118 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.447 29.3-169.2-150.8 75.0 -5.5 24.3 60.3 84 60HB F - 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