==== 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 29-SEP-05 2B5T . COMPND 2 MOLECULE: THROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.JOHNSON,W.LI,S.A.LUIS,R.W.CARRELL,J.A.HUNTINGTON . 1012 8 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 221 21.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 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 0.6 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 . 76 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 4 3 0 0 2 3 2 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 0 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 PARALLEL BRIDGES PER LADDER . 9 9 2 9 7 7 0 0 0 1 1 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 1SA T 0 0 188 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.5 4.2 73.2 7.1 2 1RA S - 0 0 24 257,-0.1 2,-0.5 2,-0.0 256,-0.1 -0.794 360.0-147.8 -92.6 111.9 5.7 70.1 5.4 3 1QA E + 0 0 117 -2,-0.8 2,-0.3 254,-0.2 257,-0.1 -0.651 27.9 159.7 -82.9 123.1 3.1 68.1 3.6 4 1PA Y - 0 0 44 -2,-0.5 2,-0.6 14,-0.0 -2,-0.0 -0.962 27.4-154.4-149.4 128.4 3.7 64.3 3.6 5 1OA Q - 0 0 174 -2,-0.3 -2,-0.0 1,-0.0 13,-0.0 -0.887 26.2-129.1-102.3 119.7 1.3 61.3 3.0 6 1NA T - 0 0 79 -2,-0.6 3,-0.1 1,-0.1 12,-0.0 -0.220 22.6-176.2 -65.4 159.0 2.5 58.1 4.6 7 1MA F + 0 0 93 163,-0.0 2,-0.1 1,-0.0 -1,-0.1 0.633 57.9 66.3-123.9 -38.0 2.7 54.9 2.5 8 1LA F S S- 0 0 11 1,-0.0 285,-0.0 5,-0.0 9,-0.0 -0.465 80.3-114.3 -91.4 163.3 3.7 52.2 4.9 9 1KA N >> - 0 0 89 -2,-0.1 4,-2.6 1,-0.1 3,-2.1 -0.857 17.8-144.9 -96.5 116.6 1.9 50.6 7.8 10 1JA P H 3> S+ 0 0 82 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.662 93.8 76.5 -57.1 -13.2 3.8 51.4 11.1 11 1IA R H 34 S+ 0 0 89 1,-0.2 4,-0.1 2,-0.1 -3,-0.0 0.838 118.0 13.1 -65.9 -31.5 2.8 47.9 12.3 12 1HA T H <4 S+ 0 0 13 -3,-2.1 -1,-0.2 2,-0.2 3,-0.1 0.602 130.7 53.0-115.6 -22.2 5.5 46.4 10.0 13 1GA F H < S- 0 0 5 -4,-2.6 71,-0.6 1,-0.3 72,-0.3 0.721 96.5-140.0 -87.0 -25.2 7.5 49.5 9.1 14 1FA G < - 0 0 4 -4,-1.3 -1,-0.3 -5,-0.3 3,-0.2 -0.562 39.7 -51.1 90.4-164.0 8.1 50.6 12.6 15 1EA S S S+ 0 0 63 -2,-0.2 68,-1.5 1,-0.1 69,-0.2 -0.614 97.0 67.7-108.9 169.5 7.8 54.4 13.3 16 1DA G + 0 0 17 -2,-0.2 3,-0.4 66,-0.2 -1,-0.1 0.159 61.5 106.5 114.6 -17.4 9.4 57.5 11.8 17 1CA E S > S+ 0 0 14 -3,-0.2 3,-1.5 1,-0.2 -2,-0.1 0.864 74.6 60.1 -63.0 -38.2 7.8 57.7 8.4 18 1BA A T 3 S+ 0 0 67 1,-0.3 -1,-0.2 149,-0.0 149,-0.0 0.843 115.6 33.4 -60.5 -34.8 5.5 60.7 9.2 19 1AA D T > S+ 0 0 56 -3,-0.4 3,-1.0 147,-0.0 -1,-0.3 0.080 91.1 142.5-109.0 24.7 8.4 62.9 10.1 20 1 A a T < + 0 0 2 -3,-1.5 146,-0.2 1,-0.2 147,-0.1 -0.218 59.7 21.4 -63.6 151.3 10.8 61.5 7.5 21 2 A G T 3 S+ 0 0 0 144,-2.3 240,-1.2 239,-0.2 2,-0.6 0.459 89.8 111.2 73.1 2.0 13.3 63.7 5.7 22 3 A L < - 0 0 12 -3,-1.0 -1,-0.1 143,-0.3 238,-0.1 -0.942 61.2-140.4-113.6 113.6 13.3 66.6 8.1 23 4 A R > > - 0 0 0 -2,-0.6 5,-1.9 1,-0.1 3,-1.9 -0.589 4.7-143.1 -79.7 126.0 16.7 67.0 9.9 24 5 A P T 3 5S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.880 103.1 43.0 -49.9 -46.7 16.7 67.9 13.7 25 6 A L T 3 5S+ 0 0 27 136,-0.5 34,-0.1 33,-0.3 136,-0.1 0.371 131.4 17.6 -86.5 6.4 19.7 70.1 13.3 26 7 A F T X >S+ 0 0 14 -3,-1.9 5,-3.6 32,-0.1 3,-1.0 0.448 127.0 28.8-136.1 -78.7 18.7 71.7 10.0 27 8 A E G > 5S+ 0 0 17 1,-0.2 3,-2.3 3,-0.2 -5,-0.1 0.948 121.0 52.7 -56.2 -51.6 15.1 71.8 8.8 28 9 A K G 3 > S+ 0 0 34 2,-0.1 3,-1.5 1,-0.1 4,-0.7 0.453 85.5 100.6-132.7 4.5 25.4 73.1 0.1 36 14CA E H >> S+ 0 0 3 -3,-0.5 4,-2.0 1,-0.3 3,-0.7 0.792 78.0 67.6 -63.9 -22.7 21.7 72.3 -0.1 37 14DA R H 3> S+ 0 0 139 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.852 92.0 62.7 -62.6 -31.4 21.2 75.6 -2.0 38 14EA E H <> S+ 0 0 52 -3,-1.5 4,-1.1 1,-0.2 -1,-0.3 0.865 104.9 46.3 -61.4 -34.0 23.1 73.9 -4.8 39 14FA L H << S+ 0 0 0 -3,-0.7 4,-0.4 -4,-0.7 144,-0.4 0.935 111.2 49.6 -74.6 -45.9 20.3 71.3 -5.0 40 14GA L H >< S+ 0 0 47 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.910 110.2 52.6 -58.3 -41.1 17.5 73.8 -4.9 41 14HA E H >< S+ 0 0 99 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.817 95.7 68.6 -65.8 -30.6 19.1 75.8 -7.6 42 14IA S T 3< S+ 0 0 18 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.622 83.2 73.2 -66.3 -11.4 19.5 72.8 -9.9 43 14JA Y T < + 0 0 32 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.553 69.2 122.2 -79.6 -4.4 15.7 72.7 -10.4 44 14KA I < - 0 0 117 -3,-1.8 2,-0.7 -4,-0.1 -3,-0.0 -0.314 52.6-154.0 -57.4 133.0 16.0 75.8 -12.6 45 14LA D - 0 0 110 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.880 10.8-150.4-114.5 98.2 14.5 75.1 -16.1 46 14MA G 0 0 71 -2,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.359 360.0 360.0 -65.2 145.2 16.2 77.4 -18.5 47 15 A R 0 0 317 -2,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.249 360.0 360.0 -98.7 360.0 14.1 78.4 -21.4 48 !* 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 49 16 B I > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.5 33.6 59.9 -2.2 50 17 B V B 3 +A 241 0A 5 191,-2.6 191,-1.6 1,-0.2 143,-0.1 -0.767 360.0 1.4 -94.8 136.2 35.9 61.6 -4.6 51 18 B E T 3 S+ 0 0 102 141,-0.5 -1,-0.2 -2,-0.4 188,-0.1 0.790 102.2 121.1 61.4 31.2 36.1 65.5 -4.7 52 19 B G < - 0 0 30 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.027 52.4-128.7-100.7-150.5 33.6 65.9 -1.9 53 20 B S E -B 204 0B 43 151,-1.4 151,-2.1 -3,-0.1 -3,-0.0 -0.974 35.9 -68.2-158.2 163.4 34.0 67.5 1.5 54 21 B D E -B 203 0B 85 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.307 52.4-125.5 -57.6 136.8 33.4 66.8 5.2 55 22 B A - 0 0 5 147,-2.6 2,-0.2 59,-0.1 -1,-0.1 -0.436 24.4-114.5 -79.0 159.1 29.8 66.5 6.0 56 23 B E > - 0 0 63 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.559 43.6 -80.8 -90.5 163.0 28.4 68.7 8.8 57 24 B I T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.414 116.6 5.0 -64.3 131.3 27.1 67.2 12.0 58 25 B G T 3 S+ 0 0 11 -2,-0.1 -33,-0.3 2,-0.1 -1,-0.3 0.531 93.2 124.8 72.2 5.1 23.5 65.9 11.7 59 26 B M S < S+ 0 0 2 -3,-1.8 -2,-0.1 1,-0.3 -26,-0.1 0.802 85.2 21.1 -65.6 -31.5 23.7 66.7 7.9 60 27 B S S > S+ 0 0 15 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.529 70.8 166.6-138.4 66.2 22.8 63.1 7.0 61 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.4 0, 0.0 51,-0.2 0.568 76.5 59.8 -59.1 -11.6 21.1 61.6 10.1 62 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.5 103,-0.1 2,-0.2 0.403 76.4 121.4 -97.5 -0.3 19.9 58.6 8.1 63 30 B Q E < -J 79 0C 3 -3,-2.2 49,-1.0 16,-0.2 50,-0.4 -0.465 44.9-167.3 -65.8 128.7 23.4 57.6 7.2 64 31 B V E -JK 78 111C 0 14,-2.3 14,-1.2 -2,-0.2 2,-0.5 -0.951 14.0-145.7-124.9 141.9 24.2 54.0 8.3 65 32 B M E -JK 77 110C 0 45,-2.4 45,-2.5 -2,-0.4 2,-0.6 -0.922 9.7-148.1-107.6 124.8 27.5 52.2 8.6 66 33 B L E -JK 76 109C 0 10,-2.7 9,-2.6 -2,-0.5 10,-1.0 -0.827 23.6-170.1 -91.1 125.5 27.5 48.4 7.9 67 34 B F E -JK 74 108C 35 41,-3.5 41,-1.7 -2,-0.6 2,-0.4 -0.954 19.5-134.5-124.7 138.6 30.2 46.8 10.0 68 35 B R E > -JK 73 107C 68 5,-2.9 5,-1.3 -2,-0.4 39,-0.2 -0.757 9.8-151.3 -91.2 132.9 31.7 43.3 10.0 69 36 B K T 5S+ 0 0 84 37,-2.4 3,-0.2 -2,-0.4 -1,-0.1 0.905 75.1 54.2 -69.1 -46.2 32.1 41.7 13.5 70 36AB S T 5S+ 0 0 102 1,-0.4 -1,-0.2 36,-0.4 2,-0.2 -0.905 119.9 16.7-147.7 115.9 35.0 39.4 12.7 71 37 B P T 5S- 0 0 79 0, 0.0 2,-0.6 0, 0.0 -1,-0.4 0.617 105.8-120.5 -72.4 160.7 37.4 40.6 11.6 72 38 B Q T 5 + 0 0 166 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.574 56.8 132.5 -73.1 116.2 36.3 44.1 12.6 73 39 B E E < -J 68 0C 77 -5,-1.3 -5,-2.9 -2,-0.6 2,-0.3 -0.992 58.9 -97.2-161.1 159.1 36.1 46.2 9.6 74 40 B L E +J 67 0C 50 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.646 37.4 174.4 -79.7 133.2 33.9 48.8 7.7 75 41 B L E - 0 0 20 -9,-2.6 2,-0.3 1,-0.4 -8,-0.2 0.851 48.3 -39.8-106.2 -52.9 31.9 47.1 4.9 76 42 B b E -J 66 0C 7 -10,-1.0 -10,-2.7 170,-0.1 -1,-0.4 -0.934 53.5 -93.0-162.2-179.1 29.5 49.5 3.3 77 43 B G E +J 65 0C 2 170,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.460 38.2 170.3-100.1 176.3 27.1 52.4 3.7 78 44 B A E -J 64 0C 0 -14,-1.2 -14,-2.3 -2,-0.2 2,-0.3 -0.934 23.0-119.0-169.5-178.8 23.4 52.1 4.2 79 45 B S E -JL 63 87C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.998 13.5-127.0-143.5 146.2 20.4 54.3 5.0 80 46 B L E + L 0 86C 0 -18,-2.5 86,-2.3 -2,-0.3 6,-0.2 -0.779 26.4 168.6 -93.3 126.0 17.7 54.4 7.8 81 47 B I S S- 0 0 2 4,-2.0 2,-0.3 -2,-0.5 5,-0.1 0.516 70.5 -10.0-112.1 -8.3 14.1 54.5 6.6 82 48 B S S S- 0 0 0 3,-1.0 -66,-0.2 -66,-0.1 -1,-0.2 -0.891 86.6 -79.5-165.4-170.8 12.4 53.8 9.9 83 49 B D S S+ 0 0 17 -68,-1.5 74,-2.0 -2,-0.3 -69,-0.1 0.631 128.0 27.0 -82.4 -10.8 13.3 52.8 13.5 84 50 B R S S+ 0 0 51 -71,-0.6 69,-2.8 -69,-0.2 2,-0.4 0.490 108.6 73.8-126.8 -5.7 13.5 49.1 12.5 85 51 B W E - M 0 152C 0 -72,-0.3 -4,-2.0 67,-0.2 -3,-1.0 -0.937 49.3-173.5-120.0 137.3 14.4 49.0 8.8 86 52 B V E -LM 80 151C 0 65,-2.6 65,-2.9 -2,-0.4 2,-0.3 -0.984 11.4-149.9-127.8 135.0 17.7 49.7 7.0 87 53 B L E +LM 79 150C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.3 -0.719 27.9 146.2-101.6 149.8 18.3 49.9 3.2 88 54 B T E - 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