==== 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 2C8W . 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) . 13277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 61.0 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 . 78 26.9 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 . 2 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 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 . 5 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 0 104 0, 0.0 2,-0.1 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 142.4 5.1 50.6 47.8 2 -2 A E > - 0 0 68 61,-0.2 3,-2.8 146,-0.2 62,-0.0 -0.373 360.0-114.4 -68.8 134.5 6.4 51.8 51.2 3 -1 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.764 111.6 24.9 -31.5 -55.8 8.8 54.8 51.0 4 0 A D T > S+ 0 0 60 144,-0.0 3,-1.3 2,-0.0 -1,-0.3 0.223 89.4 141.3-103.9 13.0 11.9 53.0 52.2 5 1 A a T < + 0 0 6 -3,-2.8 143,-0.2 1,-0.2 144,-0.1 -0.187 65.7 15.6 -60.0 144.6 11.0 49.4 51.2 6 2 A G T 3 S+ 0 0 0 141,-2.7 236,-1.9 1,-0.2 2,-0.6 0.525 92.3 113.7 77.9 6.4 13.7 47.1 49.9 7 3 A L < - 0 0 26 -3,-1.3 -1,-0.2 140,-0.3 234,-0.1 -0.956 60.2-143.3-111.7 114.1 16.6 49.2 51.0 8 4 A R > > - 0 0 0 -2,-0.6 5,-2.2 1,-0.1 3,-1.4 -0.658 7.6-139.2 -85.3 130.2 18.6 47.3 53.7 9 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.825 104.2 44.3 -50.9 -36.0 20.1 49.4 56.5 10 6 A L T 3 5S+ 0 0 31 133,-0.4 31,-0.1 30,-0.4 133,-0.0 0.492 129.6 18.0 -94.1 -2.2 23.3 47.3 56.4 11 7 A F T X>>S+ 0 0 14 -3,-1.4 5,-2.2 29,-0.1 3,-1.3 0.440 128.6 24.6-128.3 -90.1 23.7 47.3 52.6 12 8 A E G >45S+ 0 0 21 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.873 120.2 56.0 -54.7 -45.2 21.9 49.7 50.3 13 9 A K G 34> S+ 0 0 35 2,-0.1 3,-1.0 1,-0.1 4,-0.8 0.435 85.8 99.9-131.0 4.3 26.3 37.4 45.9 21 14CA E H 3> S+ 0 0 13 -3,-0.4 4,-2.2 1,-0.3 3,-0.4 0.819 79.3 64.5 -63.9 -28.1 24.0 40.2 44.7 22 14DA R H 3> S+ 0 0 146 -4,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.857 93.5 61.5 -61.2 -34.9 26.3 40.8 41.7 23 14EA E H <> S+ 0 0 50 -3,-1.0 4,-1.0 2,-0.2 -1,-0.2 0.887 105.5 47.8 -58.1 -37.8 25.3 37.3 40.5 24 14FA L H >X S+ 0 0 0 -4,-0.8 3,-1.2 -3,-0.4 4,-0.5 0.981 112.2 47.1 -65.4 -56.5 21.7 38.5 40.4 25 14GA L H >< S+ 0 0 100 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.883 107.8 57.1 -49.5 -45.0 22.6 41.7 38.5 26 14HA E H 3< S+ 0 0 135 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.798 103.9 54.5 -62.7 -24.1 24.8 39.7 36.1 27 14IA S H << S+ 0 0 14 -3,-1.2 2,-1.6 -4,-1.0 -1,-0.3 0.542 84.3 87.3 -84.6 -11.2 21.7 37.6 35.2 28 14JA Y << 0 0 27 -3,-1.7 -1,-0.2 -4,-0.5 136,-0.1 -0.584 360.0 360.0 -91.0 74.7 19.6 40.6 34.3 29 14KA I 0 0 177 -2,-1.6 -1,-0.2 0, 0.0 -2,-0.1 0.413 360.0 360.0 -92.3 360.0 20.8 40.7 30.7 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 0.000 360.0 360.0 360.0 130.0 17.9 25.5 51.8 32 17 B V B -A 222 0A 10 190,-2.9 190,-1.4 1,-0.2 143,-0.1 -0.835 360.0 -0.1-100.1 132.0 20.0 22.9 49.9 33 18 B E S S+ 0 0 127 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.802 101.4 125.8 62.1 32.4 23.4 24.0 48.5 34 19 B G - 0 0 29 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.105 52.1-122.9 -97.0-160.3 23.1 27.5 49.8 35 20 B S E -B 185 0B 57 150,-1.9 150,-2.5 -2,-0.1 2,-0.2 -0.919 35.6 -76.7-141.9 165.8 25.5 29.5 52.0 36 21 B D E -B 184 0B 105 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.472 51.1-121.2 -64.6 133.7 25.3 31.4 55.3 37 22 B A - 0 0 6 146,-3.1 2,-0.2 -2,-0.2 -1,-0.1 -0.337 24.8-114.4 -67.2 155.4 23.5 34.7 55.0 38 23 B E > - 0 0 42 1,-0.1 3,-2.0 -2,-0.0 4,-0.3 -0.588 46.2 -81.5 -84.3 157.5 25.4 37.8 56.0 39 24 B I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.392 117.7 4.5 -61.3 129.4 24.1 39.8 59.0 40 25 B G T 3 S+ 0 0 12 -2,-0.1 -30,-0.4 2,-0.1 -1,-0.3 0.647 91.6 127.5 68.4 17.8 21.2 42.0 57.9 41 26 B M S < S+ 0 0 6 -3,-2.0 -2,-0.1 1,-0.3 -23,-0.1 0.743 83.9 23.2 -76.3 -24.4 21.2 40.5 54.4 42 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.547 70.2 165.2-141.5 69.1 17.5 39.7 54.5 43 28 B P T 3 S+ 0 0 1 0, 0.0 103,-1.7 0, 0.0 51,-0.2 0.572 75.1 61.9 -73.6 -8.1 16.0 42.0 57.1 44 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.414 77.4 123.0 -89.1 -0.7 12.5 41.2 55.9 45 30 B Q E < -J 61 0C 2 -3,-2.1 49,-1.0 16,-0.2 2,-0.4 -0.407 41.3-172.2 -68.8 133.8 13.0 37.5 56.8 46 31 B V E -JK 60 93C 0 14,-1.9 14,-1.1 47,-0.2 2,-0.6 -0.974 16.4-144.7-129.5 136.9 10.4 36.2 59.3 47 32 B M E -JK 59 92C 0 45,-2.6 45,-2.3 -2,-0.4 2,-0.6 -0.935 11.2-145.3-100.2 124.1 10.3 32.9 61.1 48 33 B L E -JK 58 91C 0 10,-2.7 9,-3.2 -2,-0.6 10,-1.2 -0.831 27.7-169.7 -86.1 119.9 6.8 31.4 61.6 49 34 B F E -JK 56 90C 0 41,-2.8 41,-2.4 -2,-0.6 7,-0.2 -0.942 20.9-131.5-125.8 123.4 7.2 29.7 65.0 50 35 B R E > -JK 55 89C 83 5,-3.3 5,-0.7 -2,-0.4 39,-0.2 -0.545 13.8-144.1 -73.2 137.7 4.7 27.3 66.7 51 36 B K T 5S+ 0 0 44 37,-2.5 3,-0.2 1,-0.3 -1,-0.1 0.931 80.6 42.5 -69.8 -45.5 4.0 28.2 70.3 52 37 B S T 5S+ 0 0 105 36,-0.4 -1,-0.3 1,-0.4 2,-0.2 -0.905 119.8 26.4-155.3 120.6 3.8 24.6 71.7 53 37AB P T 5S- 0 0 82 0, 0.0 2,-1.1 0, 0.0 -1,-0.4 0.603 104.8-125.5 -59.7 149.2 5.7 22.5 70.8 54 38 B Q T 5 + 0 0 63 -3,-0.2 231,-0.3 -2,-0.2 2,-0.3 -0.603 56.6 135.2 -77.5 98.9 8.2 25.3 70.2 55 39 B E E < -J 50 0C 72 -2,-1.1 -5,-3.3 -5,-0.7 2,-0.4 -0.969 59.5 -97.9-146.1 160.0 9.2 24.7 66.5 56 40 B L E +J 49 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.623 35.8 172.2 -72.8 128.2 9.9 26.3 63.1 57 41 B L E - 0 0 33 -9,-3.2 2,-0.3 1,-0.4 169,-0.2 0.807 55.5 -39.0-102.6 -45.4 7.0 25.9 60.9 58 42 B b E -J 48 0C 7 -10,-1.2 -10,-2.7 169,-0.1 -1,-0.4 -0.955 56.9 -91.7-167.4 168.3 7.8 28.0 57.8 59 43 B G E +J 47 0C 2 169,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.409 39.4 171.1 -87.3 176.0 9.4 31.2 56.5 60 44 B A E -J 46 0C 0 -14,-1.1 -14,-1.9 -2,-0.1 2,-0.3 -0.901 21.4-122.1-170.9 176.2 7.5 34.4 55.9 61 45 B S E -JL 45 69C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.6 -0.998 12.9-123.3-145.2 149.8 8.3 38.0 55.1 62 46 B L E + L 0 68C 0 -18,-2.2 86,-2.1 -2,-0.3 6,-0.2 -0.801 29.7 167.0 -93.3 117.5 7.8 41.5 56.5 63 47 B I S S- 0 0 17 4,-2.3 2,-0.3 -2,-0.6 -61,-0.2 0.488 70.2 -5.4-108.9 -9.2 6.0 43.8 54.0 64 48 B S S S- 0 0 23 3,-1.1 3,-0.5 85,-0.1 -1,-0.3 -0.940 89.3 -80.0-163.4 178.7 5.2 46.7 56.5 65 49 B D S S+ 0 0 70 -2,-0.3 74,-2.5 1,-0.2 72,-0.1 0.648 129.7 23.7 -65.1 -13.0 5.4 47.4 60.2 66 50 B R S S+ 0 0 27 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.371 107.8 79.2-131.5 8.2 2.3 45.3 60.8 67 51 B W E - M 0 134C 6 -3,-0.5 -4,-2.3 67,-0.2 -3,-1.1 -0.965 48.0-172.3-126.5 134.4 1.9 42.8 57.9 68 52 B V E -LM 62 133C 0 65,-2.4 65,-2.4 -2,-0.4 2,-0.4 -0.975 11.9-149.6-123.9 133.7 3.7 39.5 57.2 69 53 B L E +LM 61 132C 0 -8,-2.8 -8,-2.2 -2,-0.4 2,-0.3 -0.840 29.5 144.0-104.7 140.4 3.3 37.5 54.0 70 54 B T E - M 0 131C 0 61,-2.2 61,-2.0 -2,-0.4 2,-0.4 -0.866 51.3 -68.0-156.4-176.2 3.6 33.7 53.8 71 55 B A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.723 32.7-136.7 -85.5 133.9 2.3 30.6 52.1 72 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 3,-2.0 0.880 104.2 63.9 -52.1 -38.7 -1.3 29.6 52.8 73 57 B H G 34 S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.2 176,-0.0 0.693 91.3 63.9 -67.9 -15.9 -0.2 26.0 53.1 74 58 B b G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.706 118.5 26.2 -71.8 -23.1 1.9 26.9 56.2 75 59 B L T <4 S+ 0 0 2 -3,-2.0 9,-2.0 -4,-0.4 2,-0.4 0.655 128.3 33.3-111.2 -29.3 -1.4 27.9 58.0 76 60 B L E < +P 83 0D 34 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.967 53.2 141.2-142.6 115.3 -4.1 25.7 56.3 77 60AB Y E > > -P 82 0D 54 5,-2.7 3,-2.3 -2,-0.4 5,-1.6 -0.490 21.0-173.7-153.5 79.5 -3.7 22.2 54.9 78 60BB P G > 5S+ 0 0 43 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.760 78.5 68.5 -45.5 -40.0 -6.8 20.1 55.7 79 60CB P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.752 111.6 34.7 -57.1 -23.5 -5.4 16.8 54.3 80 60DB W G < 5S- 0 0 190 -3,-2.3 3,-0.1 2,-0.1 0, 0.0 0.199 119.0-107.6-109.3 11.5 -2.9 16.8 57.2 81 60EB D T < 5 + 0 0 157 -3,-2.1 2,-0.6 1,-0.2 -5,-0.0 0.814 67.6 152.6 59.9 36.9 -5.3 18.3 59.8 82 60FB K E < +P 77 0D 47 -5,-1.6 -5,-2.7 1,-0.1 -1,-0.2 -0.862 3.4 139.5 -97.4 119.1 -3.5 21.7 59.7 83 60GB N E -P 76 0D 122 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.397 31.4-164.3-157.4 75.9 -5.6 24.7 60.5 84 60HB F - 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