==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 06-MAR-09 3GIS . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.E.ADAMS,J.A.HUNTINGTON . 1228 15 39 33 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 711 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 314 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 1.2 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 0.1 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 . 87 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.1 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 9 0 3 6 1 0 0 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 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 11 14 7 20 11 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 . 10 4 2 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 79 0, 0.0 2,-0.6 0, 0.0 256,-0.1 0.000 360.0 360.0 360.0 87.3 11.5 -35.8 39.8 2 1QA E + 0 0 162 254,-0.2 2,-0.4 2,-0.0 254,-0.0 -0.638 360.0 173.4 -78.6 114.7 11.4 -39.5 38.9 3 1PA Y - 0 0 24 -2,-0.6 2,-0.6 14,-0.1 14,-0.0 -0.948 23.9-142.6-122.4 142.6 7.8 -40.7 38.6 4 1OA Q - 0 0 154 -2,-0.4 -2,-0.0 12,-0.0 0, 0.0 -0.921 21.1-130.0-107.5 119.6 6.7 -44.1 37.4 5 1NA T - 0 0 90 -2,-0.6 3,-0.1 1,-0.1 12,-0.0 -0.324 23.9-179.1 -66.0 151.3 3.5 -44.2 35.4 6 1MA F + 0 0 74 163,-0.0 2,-0.2 1,-0.0 -1,-0.1 0.604 57.5 63.3-121.8 -29.1 0.8 -46.7 36.5 7 1LA F S S- 0 0 11 6,-0.0 285,-0.0 5,-0.0 289,-0.0 -0.598 80.7-114.3-101.8 164.0 -2.0 -46.2 34.1 8 1KA N >> - 0 0 82 -2,-0.2 4,-2.8 1,-0.1 3,-1.9 -0.864 20.4-143.1 -97.3 112.8 -2.3 -46.7 30.4 9 1JA P H 3> S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.676 94.7 71.9 -48.9 -21.2 -2.8 -43.4 28.6 10 1IA R H 34 S+ 0 0 128 1,-0.2 4,-0.1 2,-0.2 -3,-0.0 0.894 119.5 15.0 -63.5 -39.6 -5.2 -45.0 26.1 11 1HA T H <4 S+ 0 0 2 -3,-1.9 -1,-0.2 2,-0.1 3,-0.1 0.660 132.0 49.5-105.9 -24.9 -7.8 -45.5 28.8 12 1GA F H < S- 0 0 4 -4,-2.8 71,-0.5 1,-0.3 72,-0.3 0.718 100.7-136.5 -87.6 -23.3 -6.5 -43.1 31.4 13 1FA G < - 0 0 3 -4,-1.5 3,-0.3 -5,-0.4 -1,-0.3 -0.438 37.6 -50.4 92.5-173.7 -6.0 -40.2 29.1 14 1EA S S S+ 0 0 64 1,-0.2 68,-1.5 -2,-0.1 69,-0.2 -0.611 99.4 64.6 -98.2 160.5 -2.8 -38.0 29.1 15 1DA G > + 0 0 17 -2,-0.2 3,-1.1 66,-0.2 4,-0.2 0.034 60.0 104.7 124.7 -29.0 -1.2 -36.3 32.1 16 1CA E G > S+ 0 0 11 -3,-0.3 3,-1.7 1,-0.2 -2,-0.1 0.862 77.3 59.8 -54.5 -42.6 0.0 -38.9 34.5 17 1BA A G 3 S+ 0 0 65 1,-0.3 -1,-0.2 149,-0.0 -14,-0.1 0.798 115.4 34.9 -57.7 -31.2 3.7 -38.5 33.6 18 1AA D G X S+ 0 0 59 -3,-1.1 3,-1.0 147,-0.1 -1,-0.3 0.156 90.4 136.5-110.8 19.2 3.7 -34.9 34.6 19 1 A a T < + 0 0 1 -3,-1.7 146,-0.2 1,-0.2 147,-0.1 -0.162 61.3 24.9 -63.6 156.8 1.2 -35.2 37.6 20 2 A G T 3 S+ 0 0 0 144,-1.9 240,-0.9 239,-0.2 2,-0.7 0.497 89.6 112.3 69.7 2.5 1.8 -33.4 40.9 21 3 A L < - 0 0 12 -3,-1.0 -1,-0.1 143,-0.3 238,-0.1 -0.892 60.4-144.5-113.0 104.7 3.9 -30.6 39.4 22 4 A R > > - 0 0 0 -2,-0.7 3,-2.1 1,-0.1 5,-2.1 -0.509 5.7-143.1 -71.8 122.8 2.2 -27.3 39.6 23 5 A P T 3 5S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.825 102.1 47.3 -51.7 -37.3 2.9 -25.0 36.7 24 6 A L T 3 5S+ 0 0 27 136,-0.4 -2,-0.1 33,-0.3 34,-0.1 0.413 129.7 15.1 -87.9 2.5 2.9 -21.9 38.9 25 7 A F T X >S+ 0 0 13 -3,-2.1 5,-2.4 32,-0.1 3,-2.3 0.388 127.4 30.7-135.5 -85.8 5.2 -23.5 41.6 26 8 A E G > 5S+ 0 0 21 1,-0.3 3,-1.4 3,-0.2 -5,-0.1 0.898 121.9 53.3 -49.7 -43.1 7.2 -26.7 41.1 27 9 A K G 3 - 0 0 8 -2,-0.3 3,-0.6 1,-0.1 4,-0.5 -0.373 36.9 -96.2 -82.7 170.5 3.6 -21.8 48.2 33 14AA K T 3 S+ 0 0 184 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.744 118.1 26.2 -56.7 -31.7 3.1 -20.1 51.6 34 14BA T T >> S+ 0 0 37 1,-0.1 3,-1.0 2,-0.1 4,-0.8 0.402 88.2 103.2-118.0 3.7 2.5 -23.2 53.7 35 14CA E H X> S+ 0 0 0 -3,-0.6 4,-1.5 1,-0.3 3,-1.4 0.904 79.1 55.5 -52.0 -49.5 4.3 -25.9 51.7 36 14DA R H 3> S+ 0 0 143 -4,-0.5 4,-2.8 1,-0.3 -1,-0.3 0.788 96.9 65.2 -59.5 -25.9 7.3 -26.0 54.0 37 14EA E H <> S+ 0 0 58 -3,-1.0 4,-0.9 1,-0.2 -1,-0.3 0.851 102.7 49.8 -63.7 -32.8 5.0 -26.7 57.0 38 14FA L H << S+ 0 0 0 -3,-1.4 144,-0.5 -4,-0.8 3,-0.4 0.934 111.5 45.8 -70.2 -48.5 4.1 -30.0 55.3 39 14GA L H >< S+ 0 0 56 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.907 108.4 57.0 -62.3 -42.3 7.7 -31.0 54.7 40 14HA E H >< S+ 0 0 113 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.807 97.3 65.4 -58.3 -29.0 8.6 -30.0 58.3 41 14IA S T 3< S+ 0 0 16 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.533 83.9 73.1 -74.4 -5.2 5.9 -32.4 59.5 42 14JA Y T < + 0 0 29 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.508 67.9 126.8 -85.1 -2.3 7.9 -35.4 58.1 43 14KA I < - 0 0 135 -3,-1.4 2,-0.7 -4,-0.2 -3,-0.0 -0.314 50.1-152.7 -58.4 129.5 10.3 -35.0 61.0 44 14LA D - 0 0 97 -2,-0.0 -1,-0.1 2,-0.0 -2,-0.1 -0.873 3.9-153.5-110.7 99.7 10.7 -38.3 62.8 45 14MA G 0 0 71 -2,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.415 360.0 360.0 -65.8 147.2 11.7 -37.9 66.4 46 15 A R 0 0 316 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.257 360.0 360.0-101.0 360.0 13.5 -40.9 67.7 47 !* 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 48 16 B I > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.5 -12.9 -25.3 55.2 49 17 B V B 3 -A 240 0A 7 191,-2.9 191,-1.5 1,-0.2 143,-0.1 -0.765 360.0 -0.3 -94.4 136.4 -13.0 -24.2 58.8 50 18 B E T 3 S+ 0 0 124 141,-0.6 -1,-0.2 -2,-0.4 188,-0.2 0.832 102.8 121.6 57.9 36.0 -10.1 -22.2 60.2 51 19 B G < - 0 0 31 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.071 54.0-123.1-104.7-150.9 -8.2 -22.3 56.9 52 20 B S E -B 203 0B 59 151,-1.9 151,-2.7 -2,-0.1 2,-0.1 -0.944 36.3 -71.8-151.8 168.7 -7.0 -19.5 54.7 53 21 B D E -B 202 0B 98 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.432 50.7-124.6 -67.0 137.1 -7.3 -18.3 51.1 54 22 B A - 0 0 7 147,-2.9 2,-0.2 -2,-0.1 -1,-0.1 -0.377 25.1-113.6 -76.3 162.8 -5.5 -20.5 48.6 55 23 B E > - 0 0 51 1,-0.1 3,-2.1 -2,-0.1 4,-0.4 -0.615 45.1 -80.4 -92.8 157.9 -2.9 -18.9 46.3 56 24 B I T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.332 117.8 5.1 -57.8 136.4 -3.6 -18.8 42.6 57 25 B G T 3 S+ 0 0 12 2,-0.1 -33,-0.3 1,-0.1 -1,-0.3 0.582 91.1 128.4 65.1 9.6 -2.7 -22.1 41.0 58 26 B M S < S+ 0 0 4 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.879 82.6 24.2 -63.1 -40.0 -2.1 -23.6 44.4 59 27 B S > + 0 0 12 -4,-0.4 3,-2.1 1,-0.1 -1,-0.3 -0.628 68.7 170.2-128.5 74.6 -4.4 -26.6 43.7 60 28 B P T 3 S+ 0 0 2 0, 0.0 103,-1.8 0, 0.0 -1,-0.1 0.593 80.2 54.7 -59.4 -14.3 -4.6 -27.0 39.9 61 29 B W T 3 S+ 0 0 3 101,-0.2 18,-1.8 103,-0.1 104,-0.1 0.500 77.4 118.9 -98.7 -7.6 -6.4 -30.3 40.3 62 30 B Q E < -J 78 0C 2 -3,-2.1 49,-1.0 16,-0.2 50,-0.4 -0.382 46.2-166.6 -62.0 132.3 -9.1 -28.9 42.5 63 31 B V E -JK 77 110C 0 14,-2.6 14,-1.0 47,-0.2 2,-0.6 -0.955 13.5-146.1-123.4 143.8 -12.5 -29.4 40.8 64 32 B M E -JK 76 109C 0 45,-2.8 45,-2.5 -2,-0.4 2,-0.8 -0.935 8.3-149.7-109.7 120.0 -15.9 -27.9 41.7 65 33 B L E -JK 75 108C 0 10,-3.2 9,-3.0 -2,-0.6 10,-1.3 -0.809 22.1-167.8 -89.2 116.2 -19.0 -30.0 41.2 66 34 B F E -JK 73 107C 12 41,-3.0 41,-3.2 -2,-0.8 2,-0.3 -0.913 15.3-135.9-111.4 128.5 -21.7 -27.5 40.3 67 35 B R E > -JK 72 106C 38 5,-3.2 5,-1.5 -2,-0.5 39,-0.2 -0.629 5.4-151.8 -81.6 136.1 -25.4 -28.4 40.2 68 36 B K T 5S+ 0 0 49 37,-2.3 891,-0.4 -2,-0.3 3,-0.2 0.891 77.7 62.8 -73.8 -41.5 -27.3 -27.0 37.2 69 36AB S T 5S+ 0 0 66 36,-0.5 -1,-0.2 1,-0.4 2,-0.1 -0.893 120.6 12.7-139.1 107.0 -30.7 -26.8 39.0 70 37 B P T 5S- 0 0 22 0, 0.0 2,-0.9 0, 0.0 -1,-0.4 0.621 104.1-119.7 -76.7 165.0 -30.6 -25.0 41.2 71 38 B Q T 5 + 0 0 12 886,-2.3 886,-0.3 -3,-0.2 2,-0.3 -0.566 63.4 126.0 -70.1 104.2 -27.3 -23.4 40.3 72 39 B E E < -J 67 0C 81 -5,-1.5 -5,-3.2 -2,-0.9 -3,-0.1 -0.993 66.0 -87.6-162.9 153.4 -25.2 -24.2 43.3 73 40 B L E +J 66 0C 43 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.362 39.2 175.0 -59.7 137.3 -21.9 -25.7 44.6 74 41 B L E - 0 0 14 -9,-3.0 2,-0.3 1,-0.4 170,-0.2 0.757 52.0 -40.3-111.4 -50.8 -22.4 -29.4 45.2 75 42 B b E -J 65 0C 2 -10,-1.3 -10,-3.2 170,-0.1 -1,-0.4 -0.968 53.4 -95.2-167.4 175.6 -19.0 -30.8 46.2 76 43 B G E +J 64 0C 1 170,-3.9 12,-0.4 -2,-0.3 2,-0.3 -0.380 39.4 164.6 -95.2 176.6 -15.3 -30.8 45.6 77 44 B A E -J 63 0C 0 -14,-1.0 -14,-2.6 10,-0.1 2,-0.3 -0.949 23.9-119.5-175.3 179.6 -13.4 -33.3 43.4 78 45 B S E -JL 62 86C 0 8,-2.5 8,-2.7 -2,-0.3 2,-0.5 -0.995 12.5-123.2-145.3 152.3 -10.0 -33.6 41.7 79 46 B L E + L 0 85C 0 -18,-1.8 86,-2.8 -2,-0.3 6,-0.2 -0.788 28.8 166.1 -91.0 124.5 -8.4 -34.0 38.3 80 47 B I S S- 0 0 2 4,-2.3 2,-0.3 -2,-0.5 5,-0.1 0.533 71.5 -8.2-114.8 -9.7 -6.2 -37.1 37.9 81 48 B S S S- 0 0 0 3,-1.0 -1,-0.2 -66,-0.1 -66,-0.2 -0.885 88.8 -80.1-164.0-174.1 -5.9 -37.0 34.1 82 49 B D S S+ 0 0 12 -68,-1.5 74,-2.6 -2,-0.3 -69,-0.1 0.534 128.1 25.4 -82.2 -1.6 -7.4 -35.1 31.2 83 50 B R S S+ 0 0 52 -71,-0.5 69,-3.1 72,-0.2 2,-0.4 0.441 107.6 77.2-136.0 -4.1 -10.5 -37.2 31.2 84 51 B W E - 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