==== 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 23-JAN-08 3C1K . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.YAN . 287 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 59.9 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 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 20 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 9.4 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 1 1 0 2 0 0 1 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 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 1AA D > 0 0 113 0, 0.0 3,-1.3 0, 0.0 145,-0.1 0.000 360.0 360.0 360.0 -8.1 10.2 18.5 19.0 2 1 A a T 3 + 0 0 39 1,-0.2 143,-0.2 143,-0.1 3,-0.1 0.039 360.0 18.5 -49.8 147.5 10.8 14.8 20.0 3 2 A G T 3 S+ 0 0 0 141,-2.3 236,-1.2 1,-0.2 2,-0.7 0.448 89.9 113.8 72.5 -0.9 8.0 12.7 21.5 4 3 A L < - 0 0 40 -3,-1.3 -1,-0.2 140,-0.3 234,-0.1 -0.931 61.7-142.0-106.6 107.9 5.2 15.0 20.3 5 4 A R > > - 0 0 0 -2,-0.7 5,-1.9 1,-0.1 3,-1.8 -0.621 5.1-141.7 -76.8 124.4 3.1 13.0 17.8 6 5 A P T 3 5S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.880 102.4 42.4 -49.1 -43.4 1.7 15.0 14.8 7 6 A L T 3 5S+ 0 0 32 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.457 129.2 20.1 -87.9 0.5 -1.6 13.0 14.8 8 7 A F T X>>S+ 0 0 14 -3,-1.8 5,-2.2 29,-0.1 3,-2.0 0.511 124.1 27.9-128.5 -86.4 -2.0 13.0 18.6 9 8 A E G >45S+ 0 0 32 1,-0.3 3,-0.5 3,-0.2 -2,-0.1 0.852 119.8 57.5 -52.1 -40.7 -0.4 15.3 21.1 10 9 A K G 34 - 0 0 7 -2,-0.3 3,-0.8 1,-0.1 4,-0.4 -0.370 38.8 -91.9 -78.4 165.5 -4.7 7.3 21.5 16 14AA K T 3 S+ 0 0 100 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.667 117.5 19.1 -55.2 -19.1 -7.0 4.4 22.5 17 14BA T T >> S+ 0 0 43 2,-0.1 3,-1.2 1,-0.0 4,-0.9 0.329 85.0 104.7-135.0 9.0 -4.9 3.1 25.4 18 14CA E H <> S+ 0 0 3 -3,-0.8 4,-2.1 1,-0.2 3,-0.4 0.841 77.6 66.9 -62.6 -24.7 -2.5 5.8 26.6 19 14DA R H 3> S+ 0 0 118 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.795 92.3 59.5 -62.7 -32.0 -4.7 6.4 29.6 20 14EA E H <> S+ 0 0 54 -3,-1.2 4,-0.6 2,-0.2 -1,-0.2 0.900 107.0 47.7 -62.9 -42.7 -3.8 2.9 30.9 21 14FA L H >X S+ 0 0 0 -4,-0.9 3,-1.7 -3,-0.4 4,-0.7 0.978 112.4 47.3 -62.3 -54.8 -0.2 4.0 31.0 22 14GA L H >< S+ 0 0 29 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.841 108.1 56.8 -57.5 -35.1 -0.9 7.3 32.7 23 14HA E H 3< S+ 0 0 124 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.631 100.7 57.5 -73.8 -12.9 -3.1 5.5 35.3 24 14IA S H << S+ 0 0 20 -3,-1.7 2,-1.8 -4,-0.6 -1,-0.2 0.603 81.6 87.9 -90.3 -14.6 -0.3 3.2 36.4 25 14JA Y << 0 0 27 -3,-0.9 -1,-0.2 -4,-0.7 136,-0.1 -0.257 360.0 360.0 -81.7 52.9 1.9 6.1 37.3 26 14KA I 0 0 121 -2,-1.8 -3,-0.1 -3,-0.1 -2,-0.1 -0.242 360.0 360.0 -49.3 360.0 0.5 6.2 40.8 27 ! 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 28 16 A I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.3 4.1 -9.0 19.6 29 17 A V B +A 219 0A 10 190,-2.5 190,-1.6 1,-0.2 143,-0.1 -0.839 360.0 2.2-104.2 133.3 2.0 -11.6 21.4 30 18 A E S S+ 0 0 125 141,-0.5 -1,-0.2 -2,-0.4 187,-0.2 0.746 100.5 123.3 64.0 26.2 -1.5 -10.6 22.8 31 19 A G - 0 0 29 -3,-0.3 2,-0.3 152,-0.1 152,-0.2 -0.347 53.6-123.4-100.9-169.0 -1.3 -7.1 21.5 32 20 A S E -B 182 0B 54 150,-2.2 150,-2.1 -2,-0.1 2,-0.1 -0.800 35.9 -74.2-131.7 172.0 -3.7 -5.2 19.2 33 21 A D E -B 181 0B 103 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.415 51.5-119.9 -68.9 139.1 -3.5 -3.4 15.9 34 22 A A - 0 0 9 146,-2.8 2,-0.2 59,-0.1 -1,-0.1 -0.377 20.7-120.1 -77.3 158.1 -1.8 -0.0 16.0 35 23 A E > - 0 0 61 1,-0.1 3,-1.4 -2,-0.1 4,-0.3 -0.607 43.7 -86.3 -89.5 160.3 -3.6 3.2 15.0 36 24 A I T 3 S+ 0 0 85 1,-0.2 -1,-0.1 -2,-0.2 57,-0.1 -0.466 113.6 8.9 -70.9 138.9 -2.2 5.2 12.2 37 25 A G T 3 S+ 0 0 11 54,-0.1 -30,-0.3 -2,-0.1 -1,-0.2 0.437 90.3 124.5 72.4 1.5 0.5 7.7 13.4 38 26 A M S < S+ 0 0 2 -3,-1.4 -2,-0.1 1,-0.3 -1,-0.1 0.836 83.8 21.1 -61.2 -36.4 0.5 6.1 16.9 39 27 A S > + 0 0 12 -4,-0.3 3,-2.1 102,-0.1 -1,-0.3 -0.573 67.8 170.3-134.7 74.0 4.3 5.4 16.8 40 28 A P T 3 S+ 0 0 2 0, 0.0 103,-2.1 0, 0.0 99,-0.1 0.462 76.7 59.8 -65.8 -1.0 6.0 7.7 14.2 41 29 A W T 3 S+ 0 0 2 101,-0.2 18,-1.7 103,-0.1 104,-0.1 0.539 74.7 118.3-102.5 -11.3 9.5 6.7 15.4 42 30 A Q E < -J 58 0C 4 -3,-2.1 49,-0.8 16,-0.2 2,-0.3 -0.343 45.4-170.4 -61.5 128.7 9.0 3.0 14.7 43 31 A V E -JK 57 90C 0 14,-1.9 14,-1.0 47,-0.2 2,-0.5 -0.916 15.1-142.4-121.9 150.0 11.6 1.9 12.1 44 32 A M E -JK 56 89C 0 45,-1.8 45,-2.7 -2,-0.3 2,-0.6 -0.965 9.0-145.4-114.0 130.9 11.8 -1.4 10.1 45 33 A L E -JK 55 88C 0 10,-3.1 9,-2.8 -2,-0.5 10,-0.7 -0.868 24.8-167.7 -94.8 124.5 15.2 -2.9 9.4 46 34 A F E -JK 53 87C 0 41,-3.1 41,-2.6 -2,-0.6 2,-0.3 -0.950 15.8-141.7-124.2 124.2 15.0 -4.6 6.0 47 35 A R E > -JK 52 86C 76 5,-2.7 5,-1.2 -2,-0.5 39,-0.2 -0.643 8.1-148.9 -82.4 136.9 17.4 -7.0 4.3 48 36 A K T 5S+ 0 0 24 37,-2.0 -1,-0.1 -2,-0.3 38,-0.1 0.937 77.3 56.9 -70.7 -49.9 17.9 -6.5 0.6 49 36AA S T 5S+ 0 0 98 36,-0.4 -1,-0.2 1,-0.3 2,-0.2 -0.894 122.5 15.2-138.7 108.5 18.6 -10.1 -0.4 50 37 A P T 5S- 0 0 79 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.613 103.0-123.2 -72.9 166.0 16.5 -11.9 0.4 51 38 A Q T 5 + 0 0 64 -2,-0.2 2,-0.3 -3,-0.1 230,-0.3 -0.701 57.9 139.2 -75.8 108.5 14.0 -9.2 1.0 52 39 A E E < -J 47 0C 69 -5,-1.2 -5,-2.7 -2,-0.8 2,-0.4 -0.996 58.7 -97.7-155.0 156.1 13.0 -9.8 4.6 53 40 A L E +J 46 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.625 36.4 173.2 -74.2 125.6 12.2 -8.2 8.0 54 41 A L E - 0 0 26 -9,-2.8 2,-0.3 1,-0.4 169,-0.3 0.850 54.5 -42.0 -95.2 -60.7 15.3 -8.2 10.2 55 42 A b E -J 45 0C 6 -10,-0.7 -10,-3.1 169,-0.1 -1,-0.4 -0.923 52.5 -95.3-158.1 179.1 14.3 -6.2 13.3 56 43 A G E +J 44 0C 2 169,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.369 41.2 168.6 -95.1 178.2 12.6 -3.1 14.6 57 44 A A E -J 43 0C 0 -14,-1.0 -14,-1.9 -2,-0.1 2,-0.3 -0.915 23.3-117.5-173.1-176.5 14.4 0.1 15.4 58 45 A S E -JL 42 66C 0 8,-1.7 8,-2.6 -2,-0.3 2,-0.6 -1.000 12.2-126.1-147.1 146.9 13.7 3.8 16.2 59 46 A L E + L 0 65C 0 -18,-1.7 86,-2.2 -2,-0.3 6,-0.2 -0.824 26.5 170.1 -94.1 122.8 14.3 7.2 14.8 60 47 A I S S- 0 0 23 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.547 72.2 -9.9-107.5 -11.5 16.0 9.6 17.3 61 48 A S S S- 0 0 37 3,-1.2 -1,-0.3 85,-0.1 84,-0.1 -0.909 88.3 -80.4-166.8-178.8 16.7 12.4 14.9 62 49 A D S S+ 0 0 64 -2,-0.3 74,-1.9 1,-0.2 72,-0.1 0.659 128.7 30.3 -71.0 -13.2 16.5 12.9 11.1 63 50 A R S S+ 0 0 38 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.504 109.7 72.3-122.5 -8.1 19.9 11.1 10.6 64 51 A W E - M 0 131C 4 67,-0.2 -4,-2.2 -3,-0.1 -3,-1.2 -0.921 48.0-174.6-123.1 142.4 20.1 8.6 13.4 65 52 A V E -LM 59 130C 0 65,-1.9 65,-2.3 -2,-0.4 2,-0.4 -0.984 13.2-149.3-130.6 135.4 18.4 5.3 14.2 66 53 A L E +LM 58 129C 1 -8,-2.6 -8,-1.7 -2,-0.4 2,-0.2 -0.867 27.6 151.3-107.0 138.8 18.8 3.2 17.3 67 54 A T E - M 0 128C 0 61,-2.3 61,-1.8 -2,-0.4 2,-0.4 -0.855 49.0 -76.7-150.8-179.8 18.4 -0.6 17.4 68 55 A A > - 0 0 0 -12,-0.4 3,-1.9 -2,-0.2 4,-0.4 -0.747 34.4-135.7 -86.6 131.6 19.6 -3.7 19.3 69 56 A A G >> S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.3 3,-1.3 0.777 101.2 69.5 -59.4 -25.9 23.2 -4.8 18.4 70 57 A H G 34 S+ 0 0 21 1,-0.2 -1,-0.3 2,-0.2 9,-0.1 0.728 87.1 68.9 -67.1 -14.4 22.1 -8.5 18.1 71 58 A b G <4 S+ 0 0 1 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.775 114.1 24.5 -70.4 -29.2 20.2 -7.4 15.0 72 59 A L T <4 S+ 0 0 0 -3,-1.3 9,-2.1 -4,-0.4 2,-0.4 0.740 128.6 33.2-106.3 -34.9 23.4 -6.8 13.1 73 60 A L E < +P 80 0D 37 -4,-2.4 -1,-0.3 7,-0.2 7,-0.2 -0.984 52.1 140.1-136.6 123.8 26.0 -9.0 14.8 74 60AA Y E > > -P 79 0D 47 5,-2.6 3,-2.8 -2,-0.4 5,-1.6 -0.484 24.4-168.3-159.2 80.4 25.6 -12.3 16.5 75 60BA P G > 5S+ 0 0 47 0, 0.0 3,-2.5 0, 0.0 5,-0.1 0.795 83.2 70.1 -42.1 -38.5 28.5 -14.7 15.8 76 60CA P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.704 110.8 33.0 -56.7 -20.2 26.6 -17.7 17.3 77 60DA W G < 5S- 0 0 180 -3,-2.8 3,-0.1 2,-0.1 0, 0.0 0.013 116.4-110.8-122.2 24.3 24.3 -17.5 14.2 78 60EA D T < 5 + 0 0 156 -3,-2.5 2,-0.5 1,-0.2 -5,-0.0 0.674 65.9 155.4 51.3 26.2 27.0 -16.3 11.8 79 60FA K E < +P 74 0D 49 -5,-1.6 -5,-2.6 1,-0.1 -1,-0.2 -0.691 9.4 142.4 -88.4 125.4 25.2 -13.0 11.6 80 60GA N E -P 73 0D 105 -2,-0.5 2,-0.2 -7,-0.2 -7,-0.2 -0.431 24.1-176.3-160.2 68.6 27.3 -10.0 10.7 81 60HA F - 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