==== 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 16-JUN-04 1TQ0 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.O.PINEDA,Z.-W.CHEN,S.CACCIA,S.N.SAVVIDES,G.WAKSMAN,F.S.MAT . 552 8 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 27.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 53 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 0 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 7 9 1 7 7 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 2 0 2 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 1CA E 0 0 112 0, 0.0 3,-0.2 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 -72.5 -10.8 -36.2 124.8 2 1BA A + 0 0 98 1,-0.1 149,-0.0 149,-0.0 3,-0.0 -0.232 360.0 49.3-125.4 44.6 -11.9 -36.0 128.5 3 1AA D S > S+ 0 0 64 146,-0.1 3,-0.7 147,-0.1 2,-0.1 0.016 85.9 141.5-169.0 21.6 -15.5 -35.6 127.4 4 1 A a T 3 + 0 0 17 1,-0.2 146,-0.3 -3,-0.2 147,-0.1 -0.405 53.4 33.7 -85.9 152.0 -15.7 -38.4 125.0 5 2 A G T 3 S+ 0 0 0 144,-2.7 240,-0.7 1,-0.2 2,-0.7 0.491 90.6 115.2 84.1 -1.4 -18.4 -40.7 124.4 6 3 A L < - 0 0 29 -3,-0.7 -1,-0.2 143,-0.4 238,-0.1 -0.895 59.6-145.6-109.9 110.2 -20.7 -37.9 125.2 7 4 A R > > - 0 0 0 -2,-0.7 5,-2.0 1,-0.1 3,-1.5 -0.600 5.4-143.8 -80.4 119.3 -22.8 -36.9 122.2 8 5 A P T 3 5S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 137,-0.1 0.804 101.0 39.5 -43.9 -44.5 -23.6 -33.1 121.9 9 6 A L T 3 5S+ 0 0 39 136,-0.4 34,-0.1 33,-0.3 -2,-0.1 0.514 130.1 25.8 -89.6 -5.6 -27.1 -33.7 120.5 10 7 A F T X>>S+ 0 0 17 -3,-1.5 5,-2.1 32,-0.2 3,-1.5 0.648 127.2 22.5-119.9 -82.0 -27.9 -36.7 122.7 11 8 A E G >45S+ 0 0 19 1,-0.3 3,-1.3 2,-0.2 -5,-0.1 0.932 122.4 55.3 -58.6 -46.7 -26.3 -37.2 126.1 12 9 A K G 34> - 0 0 5 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.642 33.5 -99.3 -91.6 149.0 -31.5 -42.2 119.8 18 14AA K T 34 S+ 0 0 166 -2,-0.3 -1,-0.1 1,-0.3 21,-0.0 0.647 115.9 20.8 -32.5 -34.2 -33.9 -44.4 117.8 19 14BA T T 34 S+ 0 0 35 2,-0.1 4,-0.5 1,-0.1 3,-0.3 0.314 88.7 98.9-128.9 14.0 -32.0 -47.6 118.6 20 14CA E T X> S+ 0 0 16 -3,-1.9 4,-1.3 1,-0.2 3,-0.9 0.785 78.1 64.2 -73.9 -22.9 -29.8 -47.2 121.7 21 14DA R H 3X S+ 0 0 141 -4,-0.5 4,-3.4 1,-0.3 5,-0.3 0.889 91.1 66.5 -63.6 -37.6 -32.4 -48.9 124.0 22 14EA E H 3> S+ 0 0 54 -3,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.813 99.8 51.9 -51.2 -33.7 -31.9 -52.1 122.1 23 14FA L H X> S+ 0 0 1 -3,-0.9 4,-0.8 -4,-0.5 3,-0.7 0.947 111.1 43.4 -71.0 -50.3 -28.4 -52.2 123.4 24 14GA L H >X S+ 0 0 70 -4,-1.3 4,-2.8 1,-0.3 3,-1.7 0.938 108.8 59.2 -60.6 -45.5 -29.3 -51.8 127.1 25 14HA E H 3X S+ 0 0 58 -4,-3.4 4,-0.7 1,-0.3 -1,-0.3 0.816 107.4 48.6 -52.7 -29.5 -32.1 -54.3 126.5 26 14IA S H << S+ 0 0 11 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.636 110.7 49.3 -86.4 -15.6 -29.3 -56.6 125.5 27 14JA Y H << S+ 0 0 14 -3,-1.7 -2,-0.2 -4,-0.8 -3,-0.1 0.885 125.2 27.5 -86.4 -50.0 -27.1 -55.9 128.5 28 14KA I H < S- 0 0 133 -4,-2.8 2,-0.2 1,-0.2 -3,-0.2 0.967 117.8-121.0 -63.4 -79.1 -29.8 -56.3 131.1 29 14LA D < - 0 0 124 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 -0.933 48.8 -9.1 155.7-169.5 -31.8 -58.8 128.9 30 14MA G 0 0 65 -2,-0.2 -4,-0.0 1,-0.1 0, 0.0 0.113 360.0 360.0 -50.8 152.6 -35.4 -59.2 127.2 31 15 A R 0 0 241 0, 0.0 -1,-0.1 0, 0.0 -6,-0.0 -0.636 360.0 360.0 -83.1 360.0 -38.6 -56.9 127.8 32 !* 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 33 16 B I > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.4 -24.0 -52.1 106.4 34 17 B V B 3 -A 225 0A 1 191,-3.5 191,-1.7 1,-0.2 143,-0.1 -0.753 360.0 -0.4 -93.9 134.7 -26.5 -54.9 105.6 35 18 B E T 3 S+ 0 0 100 141,-0.5 -1,-0.2 -2,-0.4 142,-0.1 0.824 100.9 132.3 59.2 33.8 -30.0 -54.6 107.1 36 19 B G < - 0 0 28 -3,-0.6 2,-0.3 153,-0.1 153,-0.2 0.190 47.4-129.8 -90.1-145.7 -29.1 -51.3 108.8 37 20 B S E -B 188 0B 55 151,-0.6 151,-1.6 -3,-0.0 -3,-0.0 -0.949 35.1 -75.2-167.3 151.5 -31.1 -48.0 108.8 38 21 B D E -B 187 0B 109 -2,-0.3 149,-0.2 149,-0.2 2,-0.1 -0.293 54.0-126.0 -54.4 132.9 -30.4 -44.3 108.2 39 22 B A - 0 0 5 147,-2.3 2,-0.2 59,-0.1 -1,-0.1 -0.451 22.0-111.7 -77.9 156.2 -28.5 -43.0 111.2 40 23 B E > - 0 0 35 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.611 47.1 -85.1 -85.3 151.3 -29.9 -39.9 112.9 41 24 B I T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.213 112.1 7.2 -56.8 146.2 -27.8 -36.7 112.6 42 25 B G T 3 S+ 0 0 11 54,-0.1 -33,-0.3 1,-0.1 -1,-0.3 0.597 93.4 121.8 58.0 12.3 -25.0 -36.4 115.1 43 26 B M S < S+ 0 0 5 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.808 83.8 24.4 -74.5 -30.4 -25.7 -39.9 116.4 44 27 B S S > S+ 0 0 12 -4,-0.3 3,-2.6 1,-0.1 -1,-0.2 -0.426 73.6 165.8-133.3 58.1 -22.2 -41.2 115.6 45 28 B P T 3 S+ 0 0 5 0, 0.0 103,-1.9 0, 0.0 51,-0.1 0.459 73.2 59.8 -54.1 -7.3 -20.1 -38.0 115.8 46 29 B W T 3 S+ 0 0 3 101,-0.2 18,-2.2 103,-0.1 2,-0.2 0.446 76.3 123.0-101.6 -4.2 -16.8 -39.9 115.9 47 30 B Q E < -J 63 0C 5 -3,-2.6 49,-0.8 16,-0.2 2,-0.4 -0.403 44.9-165.1 -61.9 121.5 -17.5 -41.6 112.6 48 31 B V E -JK 62 95C 0 14,-3.2 14,-1.0 -2,-0.2 2,-0.6 -0.891 13.7-142.5-117.8 144.8 -14.7 -40.9 110.1 49 32 B M E -JK 61 94C 1 45,-2.4 45,-2.3 -2,-0.4 2,-0.8 -0.911 11.2-144.8-106.8 118.6 -14.5 -41.4 106.3 50 33 B L E - K 0 93C 0 10,-2.9 9,-2.4 -2,-0.6 10,-0.5 -0.734 26.8-168.7 -84.2 111.3 -11.3 -42.6 104.8 51 34 B F E -JK 58 92C 30 41,-2.5 41,-1.9 -2,-0.8 2,-0.5 -0.820 17.6-141.8-108.3 142.8 -11.0 -40.8 101.4 52 35 B R E > -JK 57 91C 80 5,-2.4 5,-1.0 -2,-0.4 39,-0.2 -0.879 8.9-153.1-102.6 126.3 -8.6 -41.4 98.5 53 36 B K T 5S+ 0 0 76 37,-2.3 3,-0.3 -2,-0.5 -1,-0.2 0.995 74.2 51.3 -60.6 -75.3 -7.4 -38.3 96.7 54 36AB S T 5S+ 0 0 108 1,-0.4 -1,-0.2 36,-0.3 2,-0.1 -0.933 124.3 18.0-115.8 113.7 -6.6 -39.5 93.2 55 37 B P T 5S- 0 0 81 0, 0.0 -1,-0.4 0, 0.0 -3,-0.1 0.502 102.6-126.8 -87.9 140.8 -8.9 -41.0 92.1 56 38 B Q T 5 + 0 0 158 -3,-0.3 2,-0.3 -5,-0.1 -3,-0.2 -0.265 54.5 131.8 -52.8 121.6 -11.5 -39.7 94.5 57 39 B E E < -J 52 0C 76 -5,-1.0 -5,-2.4 -2,-0.0 2,-0.6 -0.961 59.2 -97.4-164.7 161.1 -13.3 -42.7 96.0 58 40 B L E +J 51 0C 55 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.821 38.4 171.2 -94.3 122.7 -14.4 -44.0 99.5 59 41 B L E - 0 0 31 -9,-2.4 2,-0.2 -2,-0.6 172,-0.2 0.924 51.9 -21.1 -90.4 -77.3 -12.0 -46.5 101.0 60 42 B b E - 0 0 8 -10,-0.5 -10,-2.9 170,-0.1 -1,-0.3 -0.737 55.8-107.5-131.6 179.3 -12.8 -47.4 104.6 61 43 B G E +J 49 0C 3 170,-4.3 12,-0.3 -2,-0.2 2,-0.3 -0.396 40.0 166.6 -96.1 179.2 -14.5 -46.2 107.7 62 44 B A E -J 48 0C 0 -14,-1.0 -14,-3.2 -2,-0.2 2,-0.3 -0.952 23.6-117.2-176.6 179.8 -12.6 -44.9 110.8 63 45 B S E -JL 47 71C 0 8,-1.9 8,-1.9 -2,-0.3 2,-0.7 -0.985 12.0-127.5-142.8 153.1 -13.1 -43.0 114.1 64 46 B L E + L 0 70C 0 -18,-2.2 86,-1.5 -2,-0.3 6,-0.2 -0.876 29.7 166.5 -98.4 111.3 -12.0 -39.9 115.8 65 47 B I + 0 0 23 4,-1.7 2,-0.3 -2,-0.7 5,-0.1 0.406 69.7 0.4-105.2 0.8 -10.6 -40.7 119.3 66 48 B S S S- 0 0 16 3,-0.9 -1,-0.1 82,-0.1 84,-0.1 -0.932 89.8 -83.5-167.5 178.5 -9.0 -37.3 119.9 67 49 B D S S+ 0 0 42 -2,-0.3 74,-1.8 1,-0.2 3,-0.1 0.402 128.7 25.5 -77.5 6.7 -8.6 -33.9 118.2 68 50 B R S S+ 0 0 51 72,-0.2 69,-1.5 1,-0.1 2,-0.4 0.463 107.8 74.4-145.2 -7.4 -5.7 -35.3 116.3 69 51 B W E - M 0 136C 12 67,-0.2 -4,-1.7 65,-0.1 -3,-0.9 -0.910 47.0-167.8-122.1 146.6 -5.9 -39.1 116.0 70 52 B V E -LM 64 135C 0 65,-1.7 65,-1.0 -2,-0.4 2,-0.4 -0.993 12.4-149.5-130.2 126.2 -8.1 -41.5 114.0 71 53 B L E +LM 63 134C 0 -8,-1.9 -8,-1.9 -2,-0.4 2,-0.3 -0.776 31.4 143.7 -97.1 138.4 -8.3 -45.2 114.6 72 54 B T E - M 0 133C 0 61,-2.2 61,-1.6 -2,-0.4 -10,-0.1 -0.920 48.4 -72.1-156.5-179.3 -8.9 -47.6 111.7 73 55 B A - 0 0 0 -12,-0.3 59,-0.2 -2,-0.3 4,-0.2 -0.280 31.2-133.9 -77.6 167.9 -8.1 -51.1 110.4 74 56 B A S >> S+ 0 0 0 1,-0.2 3,-2.5 2,-0.2 4,-1.7 0.858 100.6 64.7 -90.3 -42.8 -4.7 -52.0 108.9 75 57 B H T 34 S+ 0 0 21 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.467 94.2 67.4 -62.3 3.9 -5.9 -53.8 105.8 76 58 B b T 34 S+ 0 0 1 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.716 114.2 24.2 -93.3 -25.6 -7.3 -50.4 104.8 77 59 B L T <4 S+ 0 0 2 -3,-2.5 9,-0.7 1,-0.3 2,-0.2 0.424 133.7 25.2-116.5 -6.2 -3.8 -48.8 104.4 78 60 B L E < +P 85 0D 37 -4,-1.7 -1,-0.3 7,-0.2 7,-0.2 -0.775 55.8 138.4-166.2 116.5 -1.7 -51.9 103.8 79 60AB Y E > > -P 84 0D 52 5,-2.1 3,-2.5 -2,-0.2 5,-1.4 -0.576 26.4-164.0-161.7 87.0 -2.6 -55.4 102.3 80 60BB P G > 5S+ 0 0 53 0, 0.0 3,-3.0 0, 0.0 -1,-0.1 0.774 83.5 74.1 -43.6 -39.9 -0.0 -56.9 99.9 81 60CB P G 3 5S+ 0 0 53 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.726 106.4 38.4 -52.4 -18.9 -2.5 -59.5 98.5 82 60DB W G < 5S- 0 0 134 -3,-2.5 3,-0.1 2,-0.2 0, 0.0 0.172 115.3-111.5-115.6 14.5 -4.1 -56.6 96.7 83 60EB D T < 5S+ 0 0 154 -3,-3.0 2,-0.4 1,-0.2 0, 0.0 0.765 73.2 148.1 60.8 22.8 -1.0 -54.7 95.8 84 60FB K E < +P 79 0D 44 -5,-1.4 -5,-2.1 -9,-0.0 -1,-0.2 -0.763 12.9 138.9 -97.2 135.9 -2.3 -52.1 98.3 85 60GB N E -P 78 0D 113 -2,-0.4 -7,-0.2 -7,-0.2 -8,-0.1 -0.341 31.2-160.4-174.0 77.8 -0.1 -49.9 100.5 86 60HB F - 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