==== 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,HYDROLASE/INHIBITOR 09-SEP-03 1O5G . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.A.KATZ,C.LUONG,J.D.HO,J.R.SOMOZA,E.GJERSTAD,J.TANG,S.R.WIL . 294 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 61.9 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 . 75 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.5 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 0 1 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 . 4 4 1 3 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 1HL T >> 0 0 153 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0-160.7 20.6 17.8 20.7 2 1GL F T 34 + 0 0 33 1,-0.2 3,-0.3 2,-0.2 154,-0.0 -0.104 360.0 92.3 -60.4 172.2 20.1 14.8 22.9 3 1FL G T 34 S- 0 0 26 1,-0.2 -1,-0.2 151,-0.2 150,-0.0 -0.596 130.9 -3.9 134.5 -52.1 19.2 15.4 26.5 4 1EL S T <4 S- 0 0 50 -3,-0.9 150,-3.1 1,-0.2 2,-0.3 0.480 112.9-128.1-124.8 -65.4 15.7 15.2 25.2 5 1DL G S < S+ 0 0 3 -4,-1.1 2,-0.8 -3,-0.3 -1,-0.2 -0.958 71.1 11.4 150.6-132.8 16.5 14.8 21.5 6 1CL E S S- 0 0 64 61,-0.4 2,-2.7 -2,-0.3 -4,-0.1 0.045 92.3-114.9 -72.0 30.2 15.3 16.6 18.3 7 1BL A S S+ 0 0 76 -2,-0.8 -1,-0.1 -6,-0.4 146,-0.0 -0.127 115.3 47.6 67.9 -44.9 13.6 19.4 20.4 8 1AL D S > S+ 0 0 60 -2,-2.7 3,-1.2 144,-0.1 -1,-0.2 0.062 87.9 140.8-110.4 20.7 10.2 18.5 19.3 9 1 L a T 3 + 0 0 0 1,-0.2 143,-0.2 143,-0.1 -4,-0.1 -0.141 58.7 21.6 -62.6 159.5 10.8 14.8 19.9 10 2 L G T 3 S+ 0 0 0 141,-2.1 237,-0.8 236,-0.2 2,-0.7 0.435 88.9 113.2 63.7 1.8 8.2 12.6 21.4 11 3 L L < - 0 0 26 -3,-1.2 -1,-0.1 140,-0.2 235,-0.1 -0.926 61.6-141.9-107.5 113.0 5.2 14.8 20.3 12 4 L R > > - 0 0 0 -2,-0.7 5,-2.1 1,-0.1 3,-1.2 -0.598 6.3-138.9 -77.3 128.8 3.2 12.9 17.7 13 5 L P T 3 5S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.856 104.5 41.8 -46.7 -44.9 1.6 14.8 14.8 14 6 L L T 3 5S+ 0 0 33 133,-0.4 31,-0.1 30,-0.3 -2,-0.0 0.547 130.2 18.3 -87.3 -6.9 -1.5 12.9 15.0 15 7 L F T X>>S+ 0 0 14 -3,-1.2 5,-2.4 29,-0.1 3,-1.9 0.503 126.7 25.9-126.2 -88.9 -1.9 12.8 18.7 16 8 L E G >45S+ 0 0 20 1,-0.3 3,-1.7 3,-0.2 -5,-0.1 0.892 120.7 56.6 -44.6 -53.4 -0.1 15.2 21.2 17 9 L K G 34 - 0 0 4 -2,-0.3 3,-0.8 23,-0.1 4,-0.5 -0.485 39.1 -95.2 -88.6 168.8 -4.5 7.0 21.4 23 14AL K T 3 S+ 0 0 126 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.678 114.1 25.3 -61.5 -19.3 -6.7 4.2 22.7 24 14BL T T >> S+ 0 0 28 2,-0.1 3,-0.9 1,-0.1 4,-0.8 0.369 86.2 98.9-127.6 11.7 -4.4 2.8 25.5 25 14CL E H X> S+ 0 0 3 -3,-0.8 4,-2.0 1,-0.3 3,-0.6 0.866 78.0 65.8 -66.3 -30.8 -2.0 5.6 26.6 26 14DL R H 3> S+ 0 0 130 -4,-0.5 4,-2.8 1,-0.2 -1,-0.3 0.865 92.8 62.9 -55.4 -34.9 -4.3 6.3 29.6 27 14EL E H <> S+ 0 0 44 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.929 105.8 45.5 -54.7 -47.1 -3.2 2.7 30.8 28 14FL L H XX S+ 0 0 0 -4,-0.8 3,-1.3 -3,-0.6 4,-0.9 0.988 112.7 48.2 -61.0 -61.5 0.4 3.9 31.0 29 14GL L H >< S+ 0 0 50 -4,-2.0 3,-0.7 1,-0.3 -2,-0.2 0.849 109.8 54.1 -50.0 -38.5 -0.5 7.3 32.8 30 14HL E H >< S+ 0 0 128 -4,-2.8 3,-1.2 -5,-0.2 -1,-0.3 0.829 101.2 58.6 -69.6 -29.5 -2.7 5.4 35.2 31 14IL S H << S+ 0 0 19 -4,-1.3 -1,-0.2 -3,-1.3 -2,-0.2 0.699 91.0 69.8 -74.6 -14.8 0.2 3.1 36.2 32 14JL Y T << 0 0 20 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.1 0.352 360.0 360.0 -82.4 12.8 2.3 6.0 37.2 33 14KL I < 0 0 178 -3,-1.2 -2,-0.2 0, 0.0 -3,-0.1 0.798 360.0 360.0 76.3 360.0 -0.1 6.4 40.2 34 !* 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 35 16 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 136.2 4.3 -9.1 19.8 36 17 H V B +A 227 0A 9 191,-2.7 191,-1.4 1,-0.2 143,-0.1 -0.929 360.0 2.1-111.5 130.1 2.1 -11.7 21.6 37 18 H E S S+ 0 0 132 -2,-0.5 2,-0.2 141,-0.4 -1,-0.2 0.812 102.5 119.7 61.3 39.0 -1.3 -10.6 23.0 38 19 H G - 0 0 24 -3,-0.3 153,-0.2 153,-0.1 -1,-0.2 -0.589 56.4-122.7-117.0 177.2 -0.9 -7.1 21.8 39 20 H S E -B 190 0B 55 151,-2.5 151,-2.5 -2,-0.2 2,-0.2 -0.653 33.8 -76.9-120.5 177.4 -3.2 -5.2 19.3 40 21 H D E -B 189 0B 90 149,-0.2 149,-0.3 -2,-0.2 148,-0.1 -0.565 51.9-122.1 -75.0 141.3 -2.9 -3.4 15.9 41 22 H A - 0 0 7 147,-3.2 2,-0.2 -2,-0.2 -1,-0.1 -0.250 23.5-113.0 -75.3 168.3 -1.4 -0.0 16.3 42 23 H E > - 0 0 67 1,-0.1 3,-1.8 147,-0.0 4,-0.3 -0.634 46.3 -82.6 -98.6 162.7 -3.2 3.1 15.1 43 24 H I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.464 117.4 8.3 -67.8 136.8 -1.9 5.1 12.2 44 25 H G T 3 S+ 0 0 11 -2,-0.1 -30,-0.3 55,-0.1 -1,-0.3 0.589 90.6 125.0 66.2 17.9 0.9 7.4 13.4 45 26 H M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 -33,-0.1 0.823 85.5 21.2 -71.6 -35.0 0.9 5.9 16.9 46 27 H S S > S+ 0 0 10 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.617 70.6 168.5-130.9 68.1 4.7 5.1 16.8 47 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.3 0, 0.0 51,-0.2 0.607 76.6 59.7 -65.0 -7.9 6.1 7.5 14.2 48 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.6 103,-0.1 2,-0.2 0.466 75.6 118.8 -96.6 -4.7 9.6 6.7 15.3 49 30 H Q E < -J 65 0C 4 -3,-2.4 49,-0.8 16,-0.2 50,-0.4 -0.476 44.0-172.4 -66.2 131.4 9.2 2.9 14.6 50 31 H V E -JK 64 97C 0 14,-2.2 14,-1.1 -2,-0.2 2,-0.4 -0.855 15.3-142.8-122.2 157.2 11.8 1.8 11.9 51 32 H M E -JK 63 96C 0 45,-1.6 45,-2.3 -2,-0.3 2,-0.6 -0.988 9.5-143.5-121.9 129.4 12.0 -1.6 10.1 52 33 H L E -JK 62 95C 0 10,-2.6 9,-3.2 -2,-0.4 10,-0.8 -0.871 26.9-168.0 -95.9 124.2 15.5 -3.0 9.3 53 34 H F E -JK 60 94C 0 41,-3.1 41,-2.3 -2,-0.6 2,-0.3 -0.941 16.1-138.0-118.9 137.3 15.0 -4.7 5.9 54 35 H R E > -JK 59 93C 63 5,-2.8 5,-0.9 -2,-0.4 39,-0.2 -0.723 6.5-149.0 -91.4 140.7 17.4 -7.0 4.3 55 36 H K T 5S+ 0 0 32 37,-1.8 -1,-0.1 -2,-0.3 38,-0.1 0.907 80.9 54.1 -79.6 -41.8 17.9 -6.5 0.5 56 36AH S T 5S+ 0 0 86 36,-0.4 -1,-0.3 1,-0.2 2,-0.2 -0.922 123.5 16.9-139.3 115.1 18.6 -10.1 -0.4 57 37 H P T 5S- 0 0 77 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.723 103.5-127.4 -54.9 166.6 16.5 -12.0 0.5 58 38 H Q T 5 + 0 0 54 -2,-0.2 2,-0.3 230,-0.1 230,-0.3 -0.804 55.8 141.8 -90.1 106.5 14.1 -9.1 1.0 59 39 H E E < -J 54 0C 66 -2,-1.0 -5,-2.8 -5,-0.9 2,-0.3 -0.999 59.6-100.8-151.2 153.9 13.0 -9.7 4.6 60 40 H L E +J 53 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.574 38.5 175.6 -69.7 131.4 12.2 -8.0 7.9 61 41 H L E - 0 0 29 -9,-3.2 2,-0.3 1,-0.4 170,-0.2 0.798 53.0 -35.4-104.5 -57.4 15.2 -8.3 10.0 62 42 H b E -J 52 0C 9 -10,-0.8 -10,-2.6 170,-0.1 -1,-0.4 -0.895 56.8 -98.7-155.0-178.0 14.5 -6.3 13.2 63 43 H G E +J 51 0C 2 170,-2.7 12,-0.3 -2,-0.3 2,-0.3 -0.442 39.5 171.2-101.4 175.7 12.7 -3.2 14.6 64 44 H A E -J 50 0C 0 -14,-1.1 -14,-2.2 -2,-0.2 2,-0.3 -0.934 23.5-118.3-171.6 177.3 14.6 0.0 15.3 65 45 H S E -JL 49 73C 0 8,-1.9 8,-1.9 -2,-0.3 2,-0.6 -0.956 13.1-126.5-136.2 156.5 13.7 3.6 16.3 66 46 H L E + L 0 72C 0 -18,-1.6 86,-2.3 -2,-0.3 6,-0.2 -0.898 33.8 161.4-101.6 118.1 14.2 7.1 14.8 67 47 H I + 0 0 0 4,-1.9 -61,-0.4 -2,-0.6 2,-0.2 0.489 69.9 8.8-113.6 -12.4 15.9 9.4 17.3 68 48 H S S S- 0 0 8 3,-1.2 84,-0.1 -63,-0.1 -1,-0.0 -0.784 85.3 -97.9-148.2-170.8 17.2 12.1 14.8 69 49 H D S S+ 0 0 40 -2,-0.2 74,-2.2 1,-0.1 3,-0.1 0.542 126.8 29.9 -95.2 -6.9 16.6 12.8 11.1 70 50 H R S S+ 0 0 116 72,-0.2 69,-2.5 1,-0.1 2,-0.4 0.404 110.5 74.1-126.8 -4.0 19.9 11.0 10.4 71 51 H W E - M 0 138C 12 67,-0.2 -4,-1.9 65,-0.0 -3,-1.2 -0.952 48.1-173.4-124.1 137.3 20.2 8.4 13.3 72 52 H V E -LM 66 137C 0 65,-2.4 65,-2.6 -2,-0.4 2,-0.4 -0.940 13.4-150.6-121.8 143.7 18.5 5.1 14.0 73 53 H L E +LM 65 136C 0 -8,-1.9 -8,-1.9 -2,-0.4 2,-0.2 -0.935 28.1 149.0-114.4 132.5 19.0 3.1 17.2 74 54 H T E - M 0 135C 0 61,-2.6 61,-1.7 -2,-0.4 2,-0.5 -0.768 49.8 -74.1-145.7-166.3 18.7 -0.6 17.4 75 55 H A > - 0 0 0 -12,-0.3 3,-1.9 59,-0.2 4,-0.4 -0.855 34.7-135.1-101.6 130.4 20.0 -3.7 19.2 76 56 H A G >> S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.3 3,-1.0 0.745 100.0 66.4 -57.2 -26.4 23.5 -4.8 18.3 77 57 H H G 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 9,-0.0 0.635 89.0 65.4 -75.4 -9.9 22.6 -8.4 18.0 78 58 H b G <4 S+ 0 0 8 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.716 116.7 28.3 -79.0 -21.5 20.4 -7.7 15.0 79 59 H L T <4 S+ 0 0 2 -3,-1.0 9,-2.7 -4,-0.4 2,-0.4 0.749 129.8 29.3-106.6 -36.8 23.6 -6.8 13.1 80 60 H L E < +P 87 0D 41 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.963 57.2 143.8-133.9 115.7 26.4 -8.8 14.7 81 60AH Y E > > -P 86 0D 60 5,-2.9 3,-2.0 -2,-0.4 5,-1.6 -0.576 21.2-173.8-152.2 78.1 25.8 -12.2 16.3 82 60BH P G > 5S+ 0 0 44 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.768 75.4 71.5 -48.2 -42.6 28.8 -14.4 15.6 83 60CH P G 3 5S+ 0 0 61 0, 0.0 44,-0.0 0, 0.0 43,-0.0 0.778 111.6 32.3 -45.1 -34.0 27.3 -17.6 17.1 84 60DH W G < 5S- 0 0 174 -3,-2.0 0, 0.0 2,-0.1 0, 0.0 0.180 118.9-108.7-110.7 13.6 25.0 -17.8 14.1 85 60EH D T < 5 + 0 0 145 -3,-2.4 2,-0.5 1,-0.2 -5,-0.0 0.890 66.3 152.1 62.7 41.4 27.4 -16.3 11.7 86 60FH K E < +P 81 0D 79 -5,-1.6 -5,-2.9 -9,-0.0 -1,-0.2 -0.917 4.2 143.6-106.7 129.6 25.5 -12.9 11.4 87 60GH N E -P 80 0D 112 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.575 26.0-171.4-161.3 82.9 27.5 -9.8 10.6 88 60HH F - 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