==== 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 BLOOD CLOTTING 31-JUL-01 1JOU . COMPND 2 MOLECULE: THROMBIN, LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.HUNTINGTON,C.T.ESMON . 913 6 12 9 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 59 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.2 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 3 4 2 3 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 11 11 0 12 9 6 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 3 0 3 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 1RA S 0 0 87 0, 0.0 2,-1.5 0, 0.0 261,-0.1 0.000 360.0 360.0 360.0 84.7 23.9 20.0 33.8 2 1QA E + 0 0 152 259,-0.3 2,-0.5 2,-0.0 259,-0.0 -0.473 360.0 167.3 -69.4 91.5 25.3 23.5 34.0 3 1PA Y - 0 0 22 -2,-1.5 2,-0.6 14,-0.1 14,-0.0 -0.914 28.7-139.5-108.9 132.6 26.5 23.6 37.5 4 1OA Q - 0 0 85 -2,-0.5 831,-0.1 831,-0.1 830,-0.1 -0.824 19.0-127.4 -96.0 117.8 28.8 26.5 38.7 5 1NA T + 0 0 16 829,-2.2 831,-0.2 -2,-0.6 3,-0.0 -0.397 33.1 169.7 -63.4 133.8 31.7 25.5 40.9 6 1MA F + 0 0 44 -2,-0.1 2,-0.2 831,-0.0 -1,-0.1 0.634 50.6 62.0-118.3 -27.8 31.7 27.6 44.1 7 1LA F S S- 0 0 2 6,-0.0 830,-0.4 293,-0.0 3,-0.0 -0.586 75.1-117.1-106.2 168.2 34.3 25.9 46.5 8 1KA N >> - 0 0 25 -2,-0.2 4,-3.3 1,-0.1 3,-1.9 -0.894 17.0-148.6-103.3 111.6 38.0 25.1 46.5 9 1JA P H 3> S+ 0 0 28 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.764 94.0 70.5 -50.9 -26.0 38.6 21.4 46.6 10 1IA R H 34 S+ 0 0 153 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.873 120.1 15.6 -60.7 -36.7 41.8 22.0 48.5 11 1HA T H <4 S+ 0 0 1 -3,-1.9 -1,-0.2 294,-0.2 291,-0.1 0.685 130.6 50.3-107.6 -27.2 39.7 23.1 51.5 12 1GA F H < S- 0 0 5 -4,-3.3 70,-0.5 1,-0.2 71,-0.2 0.816 96.4-140.7 -81.8 -33.9 36.3 21.7 50.6 13 1FA G < - 0 0 3 -4,-1.7 3,-0.4 -5,-0.4 -1,-0.2 -0.496 40.1 -41.9 96.9-173.3 37.4 18.2 49.7 14 1EA S S S+ 0 0 71 -2,-0.2 67,-2.0 1,-0.2 68,-0.2 -0.463 101.0 65.4 -87.8 161.9 36.0 16.2 46.8 15 1DA G + 0 0 19 65,-0.2 3,-0.4 -2,-0.1 -1,-0.2 0.073 61.1 100.1 121.9 -27.4 32.4 16.0 45.7 16 1CA E S > S+ 0 0 14 -3,-0.4 3,-1.8 1,-0.2 -2,-0.1 0.900 77.1 62.1 -62.2 -42.2 31.1 19.4 44.6 17 1BA A T 3 S+ 0 0 73 1,-0.3 -1,-0.2 818,-0.1 -14,-0.1 0.863 116.4 30.5 -51.2 -41.8 31.4 18.7 40.8 18 1AA D T > S+ 0 0 49 -3,-0.4 3,-1.2 146,-0.0 -1,-0.3 0.135 89.7 144.1-106.1 19.9 28.8 15.9 41.0 19 1 A a T < + 0 0 2 -3,-1.8 145,-0.2 1,-0.2 146,-0.1 -0.170 63.1 19.0 -59.2 149.8 26.7 17.2 43.9 20 2 A G T 3 S+ 0 0 0 143,-2.6 245,-1.4 244,-0.2 2,-0.7 0.508 90.5 114.0 71.3 5.1 23.0 16.7 43.9 21 3 A L < - 0 0 21 -3,-1.2 -1,-0.2 142,-0.3 243,-0.1 -0.934 61.1-142.0-112.1 108.3 23.0 13.8 41.4 22 4 A R > > - 0 0 0 -2,-0.7 5,-2.5 1,-0.1 3,-1.4 -0.540 5.4-141.4 -75.6 127.4 21.8 10.7 43.1 23 5 A P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.886 101.9 43.4 -52.0 -43.7 23.5 7.4 42.1 24 6 A L T 3 5S+ 0 0 33 135,-0.5 33,-0.1 32,-0.3 -2,-0.0 0.457 130.1 18.2 -86.8 0.8 20.3 5.3 42.3 25 7 A F T X >S+ 0 0 15 -3,-1.4 5,-2.9 31,-0.1 3,-1.2 0.472 128.0 26.4-130.6 -83.2 18.1 7.9 40.5 26 8 A E G > 5S+ 0 0 27 1,-0.3 3,-1.7 3,-0.2 -5,-0.1 0.895 120.3 56.5 -56.2 -42.1 19.5 10.7 38.3 27 9 A K G 3 > S+ 0 0 47 2,-0.1 3,-1.3 1,-0.1 4,-0.7 0.417 85.7 100.9-131.3 6.0 7.2 11.8 44.4 35 14CA E H >> S+ 0 0 3 -3,-0.5 4,-2.3 1,-0.3 3,-0.5 0.798 78.1 66.4 -63.8 -25.9 9.7 14.2 42.8 36 14DA R H 3> S+ 0 0 128 -4,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.845 93.3 62.3 -61.4 -30.9 7.3 14.9 40.0 37 14EA E H <4 S+ 0 0 48 -3,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.884 108.3 41.4 -60.1 -41.6 5.2 16.5 42.8 38 14FA L H XX S+ 0 0 0 -4,-0.7 3,-1.9 -3,-0.5 4,-0.5 0.966 113.7 49.5 -70.6 -56.8 8.0 19.1 43.3 39 14GA L H >< S+ 0 0 53 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.846 106.6 57.0 -53.5 -38.3 8.9 19.8 39.7 40 14HA E T 3< S+ 0 0 125 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.661 101.4 58.0 -70.5 -14.4 5.3 20.3 38.8 41 14IA S T <4 S+ 0 0 22 -3,-1.9 2,-1.5 -4,-0.3 3,-0.3 0.559 82.8 87.8 -90.8 -9.4 5.0 23.1 41.4 42 14JA Y << + 0 0 24 -3,-1.2 -1,-0.2 -4,-0.5 138,-0.0 -0.576 51.1 130.0 -90.6 77.4 7.9 25.2 39.9 43 14KA I + 0 0 138 -2,-1.5 -1,-0.2 1,-0.1 2,-0.2 0.946 29.3 166.8 -93.3 -67.4 5.8 27.2 37.4 44 14LA D 0 0 97 -3,-0.3 -1,-0.1 1,-0.1 130,-0.0 -0.503 360.0 360.0 91.8-154.2 6.6 31.0 37.7 45 14MA G 0 0 112 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.601 360.0 360.0 168.5 360.0 5.8 34.0 35.5 46 !* 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 47 16 B I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 123.9 8.5 13.8 60.5 48 17 B V B +A 245 0A 14 197,-2.8 197,-1.6 1,-0.2 143,-0.1 -0.822 360.0 0.8 -99.9 133.9 4.7 13.9 61.0 49 18 B E S S+ 0 0 124 141,-0.4 -1,-0.2 -2,-0.4 194,-0.2 0.801 102.3 121.6 61.8 32.6 2.3 12.6 58.3 50 19 B G - 0 0 23 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.191 54.8-117.0-105.4-159.8 5.2 11.6 56.0 51 20 B S E -B 208 0B 77 157,-2.5 157,-2.5 -2,-0.1 2,-0.1 -0.895 34.2 -79.8-139.1 167.2 6.2 8.3 54.3 52 21 B D E -B 207 0B 103 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.449 52.2-119.9 -66.6 140.4 9.0 5.8 54.4 53 22 B A - 0 0 8 153,-2.5 2,-0.2 -2,-0.1 -1,-0.1 -0.480 23.1-112.4 -81.2 153.5 11.9 7.0 52.1 54 23 B E > - 0 0 41 -2,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.514 47.5 -84.1 -79.8 154.5 13.1 4.9 49.1 55 24 B I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.378 115.8 4.9 -60.1 130.7 16.5 3.4 49.4 56 25 B G T 3 S+ 0 0 14 55,-0.1 -32,-0.3 2,-0.1 -1,-0.3 0.585 91.4 126.9 70.4 10.9 19.1 6.0 48.3 57 26 B M S < S+ 0 0 8 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.764 84.5 22.7 -69.5 -26.8 16.5 8.7 48.0 58 27 B S S > S+ 0 0 13 -4,-0.3 3,-2.0 102,-0.1 -1,-0.3 -0.544 70.7 166.9-141.7 67.9 18.4 11.1 50.2 59 28 B P T 3 S+ 0 0 3 0, 0.0 103,-1.5 0, 0.0 51,-0.2 0.538 74.6 62.0 -63.0 -9.4 22.1 10.0 50.1 60 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.2 103,-0.1 104,-0.1 0.396 76.0 124.2 -96.6 0.9 23.3 13.2 51.8 61 30 B Q E < -J 77 0C 5 -3,-2.0 49,-0.9 16,-0.2 2,-0.4 -0.396 42.0-168.8 -64.8 134.3 21.3 12.4 54.9 62 31 B V E -JK 76 109C 0 14,-2.3 14,-1.3 47,-0.2 2,-0.5 -0.972 15.8-143.9-130.9 143.5 23.4 12.4 58.1 63 32 B M E -JK 75 108C 0 45,-2.4 45,-2.1 -2,-0.4 2,-0.6 -0.904 11.9-148.4-105.3 126.4 22.7 11.2 61.6 64 33 B L E -JK 74 107C 0 10,-3.0 9,-3.0 -2,-0.5 10,-1.1 -0.864 22.7-169.0 -97.7 120.1 24.2 13.2 64.5 65 34 B F E -JK 72 106C 31 41,-3.6 41,-2.2 -2,-0.6 2,-0.4 -0.875 21.6-138.5-116.1 143.4 24.9 11.0 67.5 66 35 B R E > -JK 71 105C 26 5,-2.9 5,-1.4 -2,-0.4 39,-0.2 -0.810 14.6-149.1 -93.1 133.5 25.9 11.5 71.1 67 36 B K T 5S+ 0 0 80 37,-2.6 -1,-0.2 -2,-0.4 38,-0.1 0.971 75.8 55.6 -68.0 -55.1 28.6 9.1 72.3 68 36AB S T 5S+ 0 0 100 36,-0.3 -1,-0.3 1,-0.3 2,-0.2 -0.945 120.1 18.0-135.0 115.7 27.7 8.8 75.9 69 37 B P T 5S- 0 0 87 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.586 105.9-122.2 -74.5 157.0 25.0 8.0 76.5 70 38 B Q T 5 + 0 0 172 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.2 -0.532 55.2 139.9 -68.4 113.3 24.5 6.7 73.0 71 39 B E E < -J 66 0C 78 -5,-1.4 -5,-2.9 -2,-0.6 2,-0.4 -0.995 56.6-105.6-157.7 150.8 21.6 8.5 71.4 72 40 B L E +J 65 0C 46 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.631 38.0 171.4 -75.7 123.9 20.3 10.1 68.2 73 41 B L E - 0 0 13 -9,-3.0 2,-0.3 -2,-0.4 178,-0.2 0.872 51.1 -30.1-100.9 -51.1 20.5 13.9 68.6 74 42 B b E -J 64 0C 1 -10,-1.1 -10,-3.0 176,-0.1 -1,-0.3 -0.923 56.1-100.4-157.5 177.9 19.7 15.6 65.2 75 43 B G E +J 63 0C 4 176,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.483 35.7 173.2-100.9 177.4 19.9 15.2 61.5 76 44 B A E -J 62 0C 0 -14,-1.3 -14,-2.3 -2,-0.2 2,-0.3 -0.927 21.9-119.2-169.1 179.1 22.5 16.9 59.3 77 45 B S E -JL 61 85C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.5 -0.995 14.4-123.4-142.6 145.8 23.6 16.8 55.6 78 46 B L E + L 0 84C 0 -18,-2.2 86,-2.2 -2,-0.3 6,-0.2 -0.751 29.0 167.1 -88.3 124.2 26.7 16.0 53.6 79 47 B I S S- 0 0 2 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.536 70.2 -6.8-111.8 -11.4 28.0 18.8 51.4 80 48 B S S S- 0 0 0 3,-1.2 -1,-0.2 -65,-0.1 -65,-0.2 -0.911 88.1 -79.2-162.6-176.1 31.4 17.2 50.5 81 49 B D S S+ 0 0 14 -67,-2.0 74,-2.6 -2,-0.3 -68,-0.1 0.547 129.5 21.3 -75.3 -4.9 33.5 14.3 51.5 82 50 B R S S+ 0 0 45 -70,-0.5 69,-2.5 72,-0.2 2,-0.4 0.434 108.0 80.0-140.3 -1.5 34.6 16.1 54.6 83 51 B W E - M 0 150C 0 -71,-0.2 -4,-2.3 67,-0.2 -3,-1.2 -0.945 48.4-174.2-119.1 134.0 32.0 18.8 55.5 84 52 B V E -LM 78 149C 0 65,-2.3 65,-2.6 -2,-0.4 2,-0.3 -0.984 11.4-149.2-126.6 134.3 28.7 18.3 57.2 85 53 B L E +LM 77 148C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.2 -0.790 28.6 145.4-103.3 141.4 26.0 21.0 57.7 86 54 B T E - 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