==== 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 2C90 . 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) . 13123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.4 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 . 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 . 1 0.3 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 . 22 7.6 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 . 27 9.3 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 1 0 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 0 111 0, 0.0 2,-0.1 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 146.9 4.8 50.4 48.4 2 -2 A E > - 0 0 71 61,-0.3 3,-2.5 146,-0.2 62,-0.0 -0.348 360.0-118.2 -60.5 132.4 6.3 51.7 51.7 3 -1 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.827 110.1 32.1 -38.9 -52.2 8.7 54.6 51.1 4 0 A D T > S+ 0 0 63 144,-0.0 3,-1.1 2,-0.0 -1,-0.3 0.162 88.1 143.1 -99.5 19.1 11.8 52.9 52.4 5 1 A a T < + 0 0 8 -3,-2.5 143,-0.2 1,-0.2 144,-0.1 -0.276 62.7 12.5 -68.0 140.1 11.0 49.3 51.4 6 2 A G T 3 S+ 0 0 0 141,-2.7 236,-2.6 1,-0.2 2,-0.5 0.516 91.3 113.4 80.9 6.2 13.6 46.8 50.2 7 3 A L < - 0 0 29 -3,-1.1 -1,-0.2 140,-0.3 234,-0.1 -0.974 60.0-144.6-110.1 118.2 16.6 48.8 51.2 8 4 A R >>> - 0 0 0 -2,-0.5 3,-1.7 1,-0.1 5,-1.7 -0.696 8.8-135.7 -91.9 134.5 18.5 47.0 54.0 9 5 A P T 345S+ 0 0 17 0, 0.0 134,-0.1 0, 0.0 -1,-0.1 0.784 104.5 47.1 -60.0 -33.0 20.2 49.1 56.8 10 6 A L T 345S+ 0 0 32 133,-0.5 31,-0.1 30,-0.4 29,-0.1 0.353 130.4 16.0 -89.5 6.2 23.4 47.0 56.8 11 7 A F T <4>S+ 0 0 13 -3,-1.7 5,-3.2 29,-0.1 4,-0.4 0.482 128.1 29.1-138.4 -74.4 23.7 47.1 53.0 12 8 A E T ><5S+ 0 0 30 -4,-0.7 3,-1.9 3,-0.2 -5,-0.1 0.973 120.5 51.7 -65.8 -51.6 21.8 49.5 50.7 13 9 A K T 3 - 0 0 6 -2,-0.3 3,-0.5 23,-0.1 4,-0.4 -0.466 36.4 -96.7 -86.9 170.9 26.5 41.3 50.1 19 14AA K T 3 S+ 0 0 179 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.633 112.7 21.3 -69.0 -19.3 28.6 38.4 48.8 20 14BA T T >> S+ 0 0 38 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.361 84.7 102.4-133.0 4.4 26.3 37.1 46.0 21 14CA E H <> S+ 0 0 12 -3,-0.5 4,-1.9 1,-0.3 3,-0.5 0.793 79.7 64.4 -64.0 -26.5 23.9 39.8 44.9 22 14DA R H 3> S+ 0 0 130 -4,-0.4 4,-3.3 1,-0.2 -1,-0.3 0.812 92.1 63.0 -61.4 -32.2 26.1 40.4 41.9 23 14EA E H <> S+ 0 0 51 -3,-1.2 4,-0.5 2,-0.2 -1,-0.2 0.850 105.8 46.1 -57.1 -36.3 25.1 36.8 40.8 24 14FA L H >X S+ 0 0 0 -4,-0.8 3,-0.7 -3,-0.5 4,-0.7 0.926 114.4 46.3 -70.8 -47.3 21.6 38.1 40.6 25 14GA L H >< S+ 0 0 89 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.918 106.9 57.3 -59.4 -48.8 22.6 41.3 38.7 26 14HA E H 3< S+ 0 0 136 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.718 106.5 52.3 -55.7 -23.4 24.8 39.4 36.3 27 14IA S H << S+ 0 0 16 -3,-0.7 2,-1.6 -4,-0.5 -1,-0.3 0.601 83.8 89.3 -88.1 -19.2 21.7 37.4 35.4 28 14JA Y << 0 0 28 -3,-1.5 -1,-0.1 -4,-0.7 131,-0.0 -0.677 360.0 360.0 -81.5 87.3 19.5 40.4 34.6 29 14KA I 0 0 164 -2,-1.6 -1,-0.1 0, 0.0 -2,-0.1 0.438 360.0 360.0-114.3 360.0 20.5 40.6 31.0 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,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.1 17.4 25.3 51.9 32 17 B V B +A 222 0A 9 190,-2.1 190,-1.6 1,-0.2 143,-0.1 -0.818 360.0 3.8 -91.3 134.3 19.5 22.6 50.1 33 18 B E S S+ 0 0 125 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.778 98.3 131.2 62.6 34.8 23.0 23.6 48.8 34 19 B G - 0 0 31 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.005 50.5-122.8 -93.1-161.2 22.9 27.2 50.2 35 20 B S E -B 185 0B 59 150,-1.7 150,-2.3 -2,-0.0 2,-0.3 -0.879 40.3 -78.2-133.7 171.2 25.4 29.3 52.2 36 21 B D E -B 184 0B 101 -2,-0.3 148,-0.3 148,-0.2 147,-0.1 -0.551 50.9-117.0 -68.8 132.0 25.0 31.0 55.6 37 22 B A - 0 0 6 146,-3.3 2,-0.2 -2,-0.3 -1,-0.1 -0.327 26.9-120.4 -55.9 149.2 23.2 34.3 55.3 38 23 B E > - 0 0 45 1,-0.1 3,-1.3 146,-0.0 4,-0.3 -0.540 44.3 -80.1 -81.9 165.5 25.2 37.4 56.2 39 24 B I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.464 115.1 2.9 -70.2 130.9 23.9 39.6 59.1 40 25 B G T 3 S+ 0 0 11 -2,-0.2 -30,-0.4 104,-0.1 -1,-0.3 0.743 95.6 122.2 63.6 23.9 21.0 42.0 58.1 41 26 B M S < S+ 0 0 7 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.722 84.6 24.8 -86.8 -23.4 21.1 40.4 54.6 42 27 B S S > S+ 0 0 13 -4,-0.3 3,-2.6 102,-0.1 -1,-0.2 -0.457 73.6 163.9-141.0 58.0 17.5 39.4 54.7 43 28 B P T 3 S+ 0 0 2 0, 0.0 103,-2.0 0, 0.0 51,-0.2 0.498 74.4 59.0 -67.9 -5.8 16.0 41.8 57.2 44 29 B W T 3 S+ 0 0 2 101,-0.2 18,-2.4 103,-0.1 2,-0.3 0.437 76.7 122.7 -93.8 -5.3 12.4 40.9 56.1 45 30 B Q E < -J 61 0C 3 -3,-2.6 49,-0.8 16,-0.2 50,-0.4 -0.446 41.1-175.6 -68.9 122.6 12.9 37.3 56.9 46 31 B V E -JK 60 93C 0 14,-2.4 14,-1.6 -2,-0.3 2,-0.5 -0.874 17.3-139.8-115.6 151.4 10.3 36.2 59.4 47 32 B M E -JK 59 92C 0 45,-1.5 45,-2.3 -2,-0.3 2,-0.6 -0.957 7.3-144.8-114.0 122.3 9.9 32.8 61.2 48 33 B L E -JK 58 91C 0 10,-2.6 9,-2.4 -2,-0.5 10,-0.9 -0.778 30.0-172.7 -84.0 120.9 6.5 31.2 61.7 49 34 B F E -JK 56 90C 0 41,-3.0 41,-2.8 -2,-0.6 2,-0.2 -0.965 21.5-132.7-129.0 128.1 6.9 29.5 65.1 50 35 B R E > -JK 55 89C 78 5,-3.3 5,-1.0 -2,-0.4 39,-0.2 -0.577 10.0-148.4 -79.2 142.4 4.6 27.2 66.9 51 36 B K T 5S+ 0 0 37 37,-2.2 -1,-0.1 1,-0.3 38,-0.1 0.931 79.1 50.6 -75.9 -44.6 3.9 28.0 70.5 52 37 B S T 5S+ 0 0 103 36,-0.4 -1,-0.3 1,-0.2 2,-0.2 -0.957 120.5 19.5-147.8 113.8 3.3 24.4 71.8 53 37AB P T 5S- 0 0 82 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.697 105.1-119.2 -61.4 165.1 5.4 22.4 71.1 54 38 B Q T 5 + 0 0 57 -2,-0.2 231,-0.4 231,-0.1 2,-0.3 -0.694 59.2 134.1 -80.5 112.6 8.1 25.0 70.3 55 39 B E E < -J 50 0C 66 -5,-1.0 -5,-3.3 -2,-0.7 2,-0.2 -0.999 59.2-101.2-158.6 152.4 9.0 24.5 66.7 56 40 B L E +J 49 0C 33 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.571 36.0 168.2 -67.4 136.3 9.7 26.1 63.3 57 41 B L E - 0 0 19 -9,-2.4 2,-0.3 1,-0.6 169,-0.2 0.674 59.1 -32.1-111.9 -57.4 6.7 25.7 60.9 58 42 B b E -J 48 0C 5 -10,-0.9 -10,-2.6 169,-0.1 -1,-0.6 -0.893 57.2-105.0-152.7 171.9 7.5 27.9 58.0 59 43 B G E +J 47 0C 2 169,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.468 34.2 178.0 -96.3-179.0 9.2 31.1 57.0 60 44 B A E -J 46 0C 0 -14,-1.6 -14,-2.4 -2,-0.2 2,-0.4 -0.905 21.2-116.2-170.8 176.2 7.4 34.4 56.1 61 45 B S E -JL 45 69C 0 8,-2.1 8,-3.0 -2,-0.3 2,-0.6 -0.999 15.0-125.6-140.3 138.9 8.3 37.9 55.2 62 46 B L E + L 0 68C 0 -18,-2.4 86,-2.0 -2,-0.4 6,-0.2 -0.733 33.0 164.8 -83.8 115.7 7.8 41.4 56.7 63 47 B I + 0 0 16 4,-2.0 -61,-0.3 -2,-0.6 2,-0.3 0.508 69.1 0.8-107.7 -15.4 6.0 43.6 54.2 64 48 B S S S- 0 0 25 3,-1.3 -1,-0.2 85,-0.1 75,-0.1 -0.900 89.0 -85.3-152.3-175.6 5.0 46.4 56.6 65 49 B D S S+ 0 0 58 -2,-0.3 74,-3.3 1,-0.2 72,-0.1 0.685 128.1 20.9 -72.0 -13.9 5.3 47.2 60.4 66 50 B R S S+ 0 0 40 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.330 110.0 81.2-133.5 5.8 2.2 45.1 61.2 67 51 B W E - M 0 134C 5 67,-0.2 -4,-2.0 -3,-0.1 -3,-1.3 -0.971 49.6-172.7-125.8 124.9 1.8 42.7 58.2 68 52 B V E -LM 62 133C 0 65,-2.2 65,-1.8 -2,-0.4 2,-0.4 -0.924 14.7-144.8-112.5 139.0 3.6 39.4 57.5 69 53 B L E +LM 61 132C 0 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.2 -0.908 30.8 151.6-104.8 133.6 3.3 37.5 54.2 70 54 B T E - M 0 131C 0 61,-2.4 61,-2.0 -2,-0.4 2,-0.4 -0.815 47.5 -77.8-144.6-176.1 3.3 33.7 54.2 71 55 B A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.2 4,-0.4 -0.774 32.5-133.9 -90.5 134.4 2.1 30.6 52.3 72 56 B A G >> S+ 0 0 0 -2,-0.4 4,-2.9 1,-0.3 3,-1.7 0.837 103.5 63.9 -55.2 -34.1 -1.5 29.6 52.9 73 57 B H G 34 S+ 0 0 28 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.603 90.8 65.1 -70.8 -11.6 -0.5 25.9 53.3 74 58 B b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.627 117.6 26.9 -77.0 -17.4 1.6 26.8 56.5 75 59 B L T <4 S+ 0 0 2 -3,-1.7 9,-2.1 -4,-0.4 2,-0.5 0.713 131.1 29.4-112.9 -44.1 -1.7 27.8 58.1 76 60 B L E < +P 83 0D 35 -4,-2.9 -1,-0.3 7,-0.2 7,-0.2 -0.961 57.3 138.6-130.0 112.8 -4.3 25.6 56.4 77 60AB Y E > > -P 82 0D 56 5,-2.3 3,-1.8 -2,-0.5 5,-1.0 -0.542 24.4-172.5-148.7 82.5 -3.7 22.2 54.9 78 60BB P G > 5S+ 0 0 41 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 0.771 77.4 66.8 -47.1 -45.3 -6.6 19.9 55.7 79 60CB P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.776 110.8 38.5 -47.0 -31.8 -5.1 16.6 54.4 80 60DB W G < 5S- 0 0 170 -3,-1.8 3,-0.1 2,-0.1 0, 0.0 0.085 119.3-109.6-104.9 19.1 -2.5 16.8 57.2 81 60EB D T < 5 + 0 0 159 -3,-2.6 2,-0.5 1,-0.2 -5,-0.0 0.942 67.3 151.0 49.4 52.7 -5.0 18.1 59.8 82 60FB K E < +P 77 0D 50 -5,-1.0 -5,-2.3 2,-0.0 -1,-0.2 -0.978 2.3 139.6-114.4 119.9 -3.4 21.6 59.8 83 60GB N E -P 76 0D 120 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.336 28.6-172.6-160.4 69.4 -5.7 24.5 60.6 84 60HB F - 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