==== 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 HYDROLASE/HYDROLASE INHIBITOR 26-SEP-01 1K21 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.T.STUBBS,D.MUSIL . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 59.8 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 . 76 26.6 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 8.4 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 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 . 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 0 4 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 1BL A 0 0 115 0, 0.0 146,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.6 13.4 20.9 19.8 2 1AL D > + 0 0 76 144,-0.0 3,-1.4 3,-0.0 145,-0.1 0.077 360.0 143.9-109.5 21.8 10.0 19.5 18.8 3 1 L a T 3 + 0 0 32 1,-0.2 143,-0.2 143,-0.1 3,-0.1 -0.238 64.0 20.6 -60.3 148.3 11.1 15.9 19.4 4 2 L G T 3 S+ 0 0 0 141,-2.7 237,-1.6 236,-0.2 2,-0.6 0.563 92.4 114.6 70.9 7.8 8.5 13.6 20.9 5 3 L L < - 0 0 47 -3,-1.4 -1,-0.2 140,-0.3 235,-0.1 -0.937 61.3-141.6-113.8 107.5 5.6 15.8 19.8 6 4 L R > > - 0 0 0 -2,-0.6 5,-2.4 1,-0.1 3,-1.5 -0.525 5.6-141.2 -75.7 127.0 3.5 13.9 17.2 7 5 L P T 3 5S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.857 103.8 42.0 -51.0 -41.7 2.1 15.8 14.3 8 6 L L T 3 5S+ 0 0 34 133,-0.5 31,-0.1 30,-0.3 -2,-0.1 0.451 131.3 17.9 -90.7 0.3 -1.2 13.8 14.3 9 7 L F T X>>S+ 0 0 15 -3,-1.5 5,-2.4 29,-0.1 3,-1.1 0.413 127.9 26.1-130.9 -86.8 -1.5 13.8 18.1 10 8 L E G >45S+ 0 0 31 1,-0.3 3,-1.0 3,-0.2 -5,-0.1 0.893 121.3 54.5 -50.9 -45.2 0.3 16.2 20.5 11 9 L K G 34> S+ 0 0 45 2,-0.1 3,-1.2 1,-0.1 4,-0.8 0.434 85.4 99.0-130.4 2.2 -4.1 4.0 25.0 19 14CL E H 3> S+ 0 0 13 -3,-0.5 4,-1.9 1,-0.3 3,-0.5 0.811 79.5 65.4 -62.6 -26.0 -1.7 6.8 26.1 20 14DL R H 3> S+ 0 0 120 -4,-0.4 4,-2.9 1,-0.2 -1,-0.3 0.841 93.1 61.3 -63.2 -32.0 -4.0 7.4 29.1 21 14EL E H <> S+ 0 0 48 -3,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.875 104.8 48.8 -61.2 -36.7 -3.0 4.0 30.3 22 14FL L H >X S+ 0 0 1 -4,-0.8 3,-1.0 -3,-0.5 4,-0.8 0.963 111.3 48.0 -67.4 -51.1 0.6 5.2 30.5 23 14GL L H >< S+ 0 0 89 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.909 108.3 55.0 -55.5 -45.7 -0.3 8.4 32.3 24 14HL E H 3< S+ 0 0 126 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.746 104.1 55.8 -62.2 -23.1 -2.5 6.5 34.8 25 14IL S H << S+ 0 0 16 -3,-1.0 2,-2.1 -4,-0.9 -1,-0.3 0.666 84.5 85.1 -83.5 -16.1 0.5 4.2 35.6 26 14JL Y << 0 0 25 -3,-1.3 -1,-0.2 -4,-0.8 136,-0.1 -0.442 360.0 360.0 -85.5 67.1 2.7 7.2 36.5 27 14KL I 0 0 174 -2,-2.1 -1,-0.2 -3,-0.1 -2,-0.1 0.876 360.0 360.0 -72.4 360.0 1.4 7.3 40.1 28 !* 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 29 16 H I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.0 4.5 -8.0 19.0 30 17 H V B -A 221 0A 10 191,-2.8 191,-1.4 1,-0.2 143,-0.1 -0.821 360.0 -0.3 -99.4 135.4 2.5 -10.7 20.9 31 18 H E S S+ 0 0 126 141,-0.6 -1,-0.2 -2,-0.4 188,-0.2 0.828 102.6 122.9 60.0 35.8 -1.0 -9.8 22.3 32 19 H G - 0 0 23 -3,-0.5 2,-0.3 153,-0.1 153,-0.2 -0.085 54.5-115.9-103.8-153.1 -0.7 -6.2 21.1 33 20 H S E -B 184 0B 77 151,-2.0 151,-2.6 -2,-0.1 2,-0.1 -0.948 33.7 -81.0-145.9 163.7 -3.0 -4.1 18.8 34 21 H D E -B 183 0B 108 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.452 51.9-120.0 -64.9 137.7 -2.8 -2.4 15.4 35 22 H A - 0 0 6 147,-2.9 2,-0.2 59,-0.1 -1,-0.1 -0.417 24.6-115.5 -75.9 156.6 -1.1 1.0 15.8 36 23 H E > - 0 0 41 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.552 46.4 -80.5 -86.6 160.2 -3.1 4.1 14.8 37 24 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.412 117.1 4.6 -62.6 130.6 -1.9 6.2 11.9 38 25 H G T 3 S+ 0 0 12 -2,-0.1 -30,-0.3 2,-0.1 -1,-0.3 0.605 91.9 127.7 70.6 11.6 0.9 8.4 12.9 39 26 H M S < S+ 0 0 6 -3,-1.9 -2,-0.1 1,-0.3 -33,-0.1 0.798 82.4 23.6 -69.3 -30.3 1.0 6.9 16.4 40 27 H S > + 0 0 11 -4,-0.3 3,-2.4 1,-0.1 -1,-0.3 -0.529 69.8 167.2-136.4 67.4 4.7 6.1 16.3 41 28 H P T 3 S+ 0 0 1 0, 0.0 103,-2.0 0, 0.0 51,-0.2 0.568 76.5 59.4 -59.6 -11.9 6.2 8.6 13.8 42 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.419 77.5 123.4 -95.7 -1.2 9.7 7.7 14.9 43 30 H Q E < -J 59 0C 2 -3,-2.4 49,-1.0 16,-0.2 2,-0.4 -0.376 41.7-170.8 -63.8 136.0 9.3 4.1 14.0 44 31 H V E -JK 58 91C 0 14,-2.2 14,-1.4 47,-0.2 2,-0.5 -0.978 14.6-148.2-131.3 141.8 11.9 2.8 11.6 45 32 H M E -JK 57 90C 0 45,-2.1 45,-2.6 -2,-0.4 2,-0.6 -0.946 11.8-143.2-110.1 126.7 12.1 -0.5 9.7 46 33 H L E -JK 56 89C 1 10,-3.1 9,-3.0 -2,-0.5 10,-1.2 -0.817 25.6-165.6 -88.8 122.5 15.5 -1.9 9.0 47 34 H F E -JK 54 88C 0 41,-3.6 41,-3.1 -2,-0.6 2,-0.4 -0.937 16.7-134.9-117.9 132.3 15.2 -3.5 5.5 48 35 H R E > -JK 53 87C 81 5,-2.4 5,-0.8 -2,-0.4 39,-0.3 -0.680 14.0-151.2 -83.1 131.7 17.7 -6.0 3.9 49 36 H K T 5S+ 0 0 28 37,-2.3 3,-0.3 -2,-0.4 -1,-0.2 0.996 82.5 38.3 -64.8 -79.9 18.4 -5.1 0.2 50 36AH S T 5S+ 0 0 91 1,-0.3 2,-2.3 36,-0.2 -2,-0.0 0.912 126.7 30.8 -42.3 -92.8 19.2 -8.4 -1.6 51 37 H P T 5S- 0 0 71 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.496 100.5-136.4 -72.5 93.4 16.8 -10.8 0.0 52 38 H Q T 5 + 0 0 56 -2,-2.3 229,-0.3 -3,-0.3 2,-0.3 -0.278 52.6 127.9 -50.7 108.0 14.2 -8.0 0.5 53 39 H E E < -J 48 0C 73 -5,-0.8 -5,-2.4 -2,-0.3 2,-0.3 -0.977 65.5 -80.9-158.8 166.4 13.0 -8.8 4.1 54 40 H L E +J 47 0C 32 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.588 39.5 173.5 -74.4 127.9 12.4 -7.3 7.5 55 41 H L E - 0 0 22 -9,-3.0 2,-0.3 1,-0.4 -8,-0.2 0.788 55.2 -49.0-103.6 -38.9 15.7 -7.1 9.5 56 42 H b E -J 46 0C 4 -10,-1.2 -10,-3.1 170,-0.1 -1,-0.4 -0.979 51.4 -89.8-178.3 177.8 14.6 -5.2 12.6 57 43 H G E +J 45 0C 2 170,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.544 41.7 167.4-100.1 170.9 12.9 -2.2 14.1 58 44 H A E -J 44 0C 0 -14,-1.4 -14,-2.2 -2,-0.2 2,-0.3 -0.937 24.2-120.5-168.5 178.7 14.7 1.0 14.9 59 45 H S E -JL 43 67C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.987 14.8-123.7-140.9 150.2 13.9 4.6 15.8 60 46 H L E + L 0 66C 0 -18,-2.1 86,-2.2 -2,-0.3 6,-0.2 -0.811 28.7 169.0 -94.0 117.7 14.4 8.1 14.4 61 47 H I - 0 0 23 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.487 69.3 -8.8-107.2 -3.4 16.2 10.4 16.8 62 48 H S S S- 0 0 35 3,-1.0 -1,-0.2 85,-0.1 3,-0.2 -0.932 88.4 -79.1-172.2 177.6 17.0 13.3 14.4 63 49 H D S S+ 0 0 73 -2,-0.3 74,-2.7 1,-0.2 72,-0.1 0.649 129.6 25.3 -69.4 -10.7 16.8 14.0 10.7 64 50 H R S S+ 0 0 59 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.447 108.1 77.1-130.2 -2.5 20.0 12.0 10.1 65 51 H W E - M 0 132C 15 67,-0.2 -4,-2.2 -3,-0.2 -3,-1.0 -0.938 48.8-171.1-120.7 136.5 20.4 9.5 12.9 66 52 H V E -LM 60 131C 0 65,-2.3 65,-2.3 -2,-0.4 2,-0.4 -0.971 11.6-150.0-122.9 136.0 18.6 6.2 13.6 67 53 H L E +LM 59 130C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.3 -0.838 28.7 143.9-107.3 140.5 18.9 4.2 16.8 68 54 H T E - M 0 129C 0 61,-2.3 61,-2.4 -2,-0.4 2,-0.3 -0.906 50.2 -68.3-158.0-177.2 18.7 0.4 17.0 69 55 H A > - 0 0 0 -12,-0.4 3,-1.5 -2,-0.3 4,-0.4 -0.633 34.8-132.7 -84.9 142.0 20.0 -2.7 18.8 70 56 H A G >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.3 3,-1.8 0.882 105.7 62.1 -60.6 -36.4 23.5 -3.7 18.2 71 57 H H G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 156,-0.1 0.616 89.6 69.4 -68.5 -9.2 22.4 -7.3 17.6 72 58 H b G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.736 117.1 22.6 -76.1 -22.6 20.4 -6.2 14.6 73 59 H L T <4 S+ 0 0 1 -3,-1.8 9,-2.0 -4,-0.4 2,-0.4 0.713 130.2 35.5-112.5 -34.2 23.7 -5.5 12.8 74 60 H L E < +P 81 0D 33 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.960 55.0 137.3-133.5 118.4 26.2 -7.6 14.5 75 60AH Y E > > -P 80 0D 53 5,-3.0 3,-2.0 -2,-0.4 5,-2.0 -0.515 22.6-172.6-158.6 82.3 25.7 -11.1 16.0 76 60BH P G > 5S+ 0 0 46 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.775 80.3 70.0 -45.6 -40.3 28.6 -13.6 15.3 77 60CH P G 3 5S+ 0 0 68 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.821 113.3 30.7 -53.0 -30.2 26.7 -16.6 16.7 78 60DH W G < 5S- 0 0 172 -3,-2.0 3,-0.1 2,-0.1 0, 0.0 0.159 117.8-110.6-111.4 14.6 24.3 -16.4 13.7 79 60EH D T < 5 + 0 0 155 -3,-2.2 2,-0.5 1,-0.2 -5,-0.0 0.846 64.4 155.1 58.0 37.2 27.0 -15.0 11.4 80 60FH K E < +P 75 0D 42 -5,-2.0 -5,-3.0 1,-0.1 -1,-0.2 -0.856 4.9 141.0 -97.9 126.5 25.3 -11.6 11.2 81 60GH N E -P 74 0D 114 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.378 27.4-171.9-163.2 71.3 27.6 -8.7 10.4 82 60HH F - 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