==== 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 18-AUG-02 1MH0 . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.O.PINEDA,S.SAVVIDES,G.WAKSMAN,E.DI CERA . 554 6 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 62.6 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 . 154 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 46 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 4 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 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 . 8 6 5 5 5 5 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 1 0 1 2 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 1BA A 0 0 120 0, 0.0 146,-0.0 0, 0.0 61,-0.0 0.000 360.0 360.0 360.0 -68.9 53.5 32.4 36.7 2 1AA D > + 0 0 73 144,-0.1 3,-1.1 2,-0.0 145,-0.1 0.151 360.0 141.1 -99.3 15.9 53.6 36.1 36.0 3 1 A a T 3 + 0 0 19 1,-0.2 143,-0.2 143,-0.1 144,-0.1 -0.002 51.0 24.5 -55.3 159.6 50.0 35.5 35.1 4 2 A G T 3 S+ 0 0 0 141,-1.7 2,-0.9 236,-0.2 237,-0.8 0.280 88.6 112.7 68.0 -9.5 47.2 37.8 35.9 5 3 A L < - 0 0 33 -3,-1.1 -1,-0.1 140,-0.2 235,-0.1 -0.775 60.0-144.5-103.2 96.4 49.3 41.0 36.1 6 4 A R > > - 0 0 0 -2,-0.9 5,-2.3 1,-0.1 3,-1.0 -0.254 4.8-142.4 -59.8 131.2 48.5 43.4 33.2 7 5 A P T 3 5S+ 0 0 12 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.956 100.4 43.4 -58.6 -54.8 51.4 45.4 31.6 8 6 A L T 3 5S+ 0 0 35 133,-0.6 -2,-0.1 30,-0.3 31,-0.1 0.305 130.6 20.7 -78.9 15.3 49.5 48.6 31.1 9 7 A F T X >S+ 0 0 14 -3,-1.0 5,-2.6 29,-0.1 3,-0.5 0.345 126.3 26.6-139.7 -89.5 47.8 48.5 34.5 10 8 A E G > 5S+ 0 0 21 3,-0.3 3,-3.1 1,-0.3 -5,-0.1 0.960 124.2 50.4 -49.9 -55.7 49.0 46.5 37.5 11 9 A K G 3 - 0 0 7 -2,-0.3 3,-1.4 1,-0.1 4,-0.5 -0.498 36.7-100.7 -86.3 159.6 40.7 50.6 34.6 17 14AA K T 3 S+ 0 0 118 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.679 120.4 35.3 -53.6 -22.4 37.4 52.5 34.8 18 14BA T T >> S+ 0 0 24 2,-0.1 4,-0.8 1,-0.1 3,-0.8 0.444 86.5 100.5-113.5 1.2 35.4 49.5 36.0 19 14CA E H X> S+ 0 0 1 -3,-1.4 3,-1.6 1,-0.3 4,-1.4 0.912 83.6 47.4 -51.0 -55.8 38.0 47.6 38.2 20 14DA R H 3> S+ 0 0 154 -4,-0.5 4,-2.7 1,-0.3 -1,-0.3 0.736 96.2 72.5 -61.9 -23.8 36.6 48.8 41.5 21 14EA E H <4 S+ 0 0 54 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.842 105.3 42.9 -59.4 -29.0 33.0 47.9 40.5 22 14FA L H X< S+ 0 0 0 -3,-1.6 3,-2.3 -4,-0.8 141,-0.5 0.960 113.8 46.8 -78.8 -58.8 34.3 44.4 40.9 23 14GA L H >< S+ 0 0 52 -4,-1.4 3,-3.3 1,-0.3 -2,-0.2 0.952 107.9 56.4 -48.0 -59.8 36.2 44.8 44.2 24 14HA E T 3< S+ 0 0 159 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.502 103.1 59.3 -55.3 0.1 33.4 46.7 45.8 25 14IA S T < S+ 0 0 17 -3,-2.3 2,-2.0 -5,-0.2 -1,-0.3 0.457 72.6 97.5-107.9 -3.3 31.3 43.7 45.0 26 14JA Y < 0 0 32 -3,-3.3 -1,-0.1 -4,-0.3 135,-0.1 -0.593 360.0 360.0 -87.9 77.7 33.3 41.1 47.0 27 14KA I 0 0 174 -2,-2.0 -1,-0.1 -3,-0.0 -3,-0.1 -0.560 360.0 360.0 72.5 360.0 30.9 41.4 49.9 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 A I > 0 0 0 0, 0.0 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 98.3 28.5 41.8 24.6 30 17 A V B 3 +A 221 0A 7 191,-1.6 191,-1.3 1,-0.2 143,-0.1 -0.683 360.0 4.1 -85.9 134.4 25.1 43.6 25.1 31 18 A E T 3 S+ 0 0 138 141,-0.4 -1,-0.2 -2,-0.4 188,-0.2 0.908 102.2 122.5 61.1 44.3 25.1 46.7 27.2 32 19 A G < - 0 0 31 -3,-0.7 2,-0.3 153,-0.1 153,-0.2 -0.011 53.1-120.4-108.3-142.4 28.9 46.8 27.7 33 20 A S E -B 184 0B 40 151,-1.4 151,-2.2 -2,-0.1 2,-0.3 -0.980 36.2 -76.9-163.4 155.5 31.5 49.4 26.9 34 21 A D E -B 183 0B 100 -2,-0.3 149,-0.2 149,-0.2 148,-0.1 -0.421 52.3-129.1 -60.7 117.7 34.6 49.8 24.8 35 22 A A - 0 0 6 147,-2.7 2,-0.3 -2,-0.3 149,-0.1 -0.144 26.6-111.8 -57.4 167.7 37.3 48.0 26.7 36 23 A E > - 0 0 50 1,-0.1 3,-2.2 -3,-0.1 4,-0.3 -0.794 46.5 -72.7-104.9 152.0 40.4 50.2 27.3 37 24 A I T 3 S- 0 0 86 -2,-0.3 -1,-0.1 1,-0.3 57,-0.1 -0.101 115.3 -4.9 -46.3 127.4 43.8 49.4 25.6 38 25 A G T 3 S+ 0 0 12 55,-0.2 -30,-0.3 2,-0.1 -1,-0.3 0.734 93.1 123.6 59.7 24.7 45.4 46.4 27.1 39 26 A M S < S+ 0 0 2 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 0.579 85.6 31.1 -89.6 -8.0 42.8 46.0 29.8 40 27 A S S > S+ 0 0 11 -4,-0.3 3,-1.8 102,-0.1 -1,-0.2 -0.441 74.2 161.1-141.4 58.7 42.2 42.4 28.6 41 28 A P T 3 S+ 0 0 3 0, 0.0 103,-0.5 0, 0.0 51,-0.2 0.739 72.9 56.1 -53.5 -29.6 45.6 41.4 27.3 42 29 A W T 3 S+ 0 0 1 101,-0.2 18,-2.8 103,-0.1 104,-0.1 0.604 79.5 120.3 -82.8 -12.4 44.8 37.7 27.5 43 30 A Q E < -G 59 0C 6 -3,-1.8 49,-0.8 16,-0.2 2,-0.3 -0.131 44.4-168.7 -50.7 144.1 41.7 38.0 25.3 44 31 A V E -GH 58 91C 0 14,-1.8 14,-1.5 47,-0.1 2,-0.5 -0.939 17.2-139.6-138.5 161.7 41.9 36.0 22.1 45 32 A M E -GH 57 90C 0 45,-1.8 45,-2.2 -2,-0.3 2,-0.6 -0.981 9.5-146.0-127.0 120.0 40.0 35.6 18.8 46 33 A L E -GH 56 89C 0 10,-2.6 9,-2.1 -2,-0.5 10,-1.2 -0.775 28.4-170.1 -82.8 121.8 39.2 32.3 17.2 47 34 A F E -GH 54 88C 0 41,-2.9 41,-2.6 -2,-0.6 2,-0.5 -0.911 19.1-133.9-118.3 142.7 39.4 33.1 13.5 48 35 A R E > -GH 53 87C 86 5,-3.4 5,-1.3 -2,-0.4 39,-0.2 -0.858 10.7-148.5 -97.7 124.8 38.3 30.9 10.6 49 36 A K T 5S+ 0 0 37 37,-2.1 -1,-0.2 -2,-0.5 469,-0.1 0.956 76.6 45.5 -54.4 -63.4 40.8 30.8 7.7 50 36AA S T 5S+ 0 0 52 36,-0.4 -1,-0.2 1,-0.2 2,-0.2 -0.966 121.2 23.4-139.0 119.1 38.5 30.3 4.7 51 37 A P T 5S- 0 0 61 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.605 105.7-121.5 -71.7 160.7 36.2 31.9 4.6 52 38 A Q T 5 + 0 0 4 -2,-0.2 380,-0.3 -5,-0.1 2,-0.3 -0.578 56.7 136.5 -71.8 124.9 37.7 34.6 6.7 53 39 A E E < -G 48 0C 79 -5,-1.3 -5,-3.4 -2,-0.4 2,-0.5 -0.941 55.8-114.0-171.7 143.5 35.5 35.0 9.7 54 40 A L E +G 47 0C 21 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.722 34.9 166.2 -83.3 127.3 35.4 35.5 13.5 55 41 A L E - 0 0 28 -9,-2.1 2,-0.3 -2,-0.5 170,-0.2 0.529 54.3 -10.6-120.4 -9.2 33.8 32.5 15.2 56 42 A b E -G 46 0C 5 -10,-1.2 -10,-2.6 168,-0.1 -1,-0.3 -0.995 55.4-108.5-175.5 172.5 34.6 32.8 18.9 57 43 A G E +G 45 0C 2 170,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.718 36.3 164.2-109.8 164.6 36.5 34.3 21.8 58 44 A A E -G 44 0C 0 -14,-1.5 -14,-1.8 -2,-0.3 2,-0.3 -0.882 25.8-114.5-160.8-171.8 39.3 32.5 23.8 59 45 A S E -GI 43 67C 0 8,-1.9 8,-2.3 -2,-0.3 2,-0.6 -0.973 12.0-130.5-151.1 135.1 42.1 33.2 26.2 60 46 A L E + I 0 66C 0 -18,-2.8 86,-1.5 -2,-0.3 6,-0.2 -0.675 29.0 168.1 -77.6 116.1 45.9 33.0 26.3 61 47 A I E S- 0 0 21 4,-2.3 2,-0.2 -2,-0.6 5,-0.1 0.195 70.7 -1.0-115.0 15.3 46.8 31.2 29.5 62 48 A S E > S- I 0 65C 34 3,-0.6 3,-2.5 85,-0.1 -1,-0.4 -0.713 84.3 -92.0 166.4 145.3 50.4 30.7 28.6 63 49 A D T 3 S+ 0 0 37 1,-0.3 74,-2.8 -2,-0.2 3,-0.1 0.631 128.4 33.8 -44.3 -17.7 52.7 31.5 25.7 64 50 A R T 3 S+ 0 0 120 72,-0.2 69,-1.4 1,-0.1 2,-0.4 0.344 110.0 65.7-123.7 4.2 51.8 28.1 24.3 65 51 A W E < -IJ 62 132C 15 -3,-2.5 -4,-2.3 67,-0.2 -3,-0.6 -0.988 50.4-166.2-139.9 140.4 48.2 27.4 25.3 66 52 A V E -IJ 60 131C 0 65,-2.0 65,-1.7 -2,-0.4 2,-0.4 -0.883 9.8-150.7-119.5 147.3 44.7 28.8 24.5 67 53 A L E +IJ 59 130C 0 -8,-2.3 -8,-1.9 -2,-0.3 2,-0.3 -0.937 28.2 138.9-120.3 140.7 41.4 28.2 26.3 68 54 A T E - J 0 129C 0 61,-1.8 61,-1.4 -2,-0.4 -10,-0.1 -0.968 51.9 -66.8-164.1 175.5 37.9 28.3 24.8 69 55 A A - 0 0 0 -12,-0.4 4,-0.4 -2,-0.3 59,-0.3 -0.362 35.5-134.8 -71.5 153.9 34.5 26.7 24.8 70 56 A A S >> S+ 0 0 0 1,-0.2 4,-3.5 2,-0.2 3,-1.3 0.879 103.5 57.8 -77.9 -38.2 34.2 23.2 23.4 71 57 A H T 34 S+ 0 0 31 1,-0.3 -1,-0.2 2,-0.2 177,-0.1 0.860 93.2 69.0 -61.3 -33.2 31.1 23.9 21.3 72 58 A b T 34 S+ 0 0 1 1,-0.2 -1,-0.3 -15,-0.1 -2,-0.2 0.841 118.4 21.5 -50.1 -36.6 33.1 26.7 19.5 73 59 A L T <4 S+ 0 0 2 -3,-1.3 9,-1.3 -4,-0.4 2,-0.5 0.785 129.6 39.4-102.3 -40.2 35.1 23.9 17.9 74 60 A L E < +M 81 0D 32 -4,-3.5 -1,-0.2 7,-0.2 7,-0.2 -0.945 55.9 135.7-124.8 119.9 32.9 20.8 18.2 75 60AA Y E > > -M 80 0D 54 5,-1.8 5,-1.9 -2,-0.5 3,-1.6 -0.581 25.0-169.9-161.0 88.9 29.2 20.7 17.6 76 60BA P G > 5S+ 0 0 45 0, 0.0 3,-4.4 0, 0.0 -1,-0.1 0.876 78.6 75.3 -46.6 -52.1 27.8 17.8 15.5 77 60CA P G 3 5S+ 0 0 63 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.770 110.2 31.2 -35.7 -35.1 24.2 19.2 15.3 78 60DA W G < 5S- 0 0 178 -3,-1.6 3,-0.1 2,-0.1 0, 0.0 0.130 116.5-107.2-113.3 20.3 25.6 21.7 12.7 79 60EA D T < 5 + 0 0 148 -3,-4.4 2,-0.5 1,-0.2 -5,-0.0 0.865 65.9 158.7 58.8 34.8 28.3 19.6 11.2 80 60FA K E < +M 75 0D 51 -5,-1.9 -5,-1.8 1,-0.1 -1,-0.2 -0.806 6.2 139.0 -92.9 128.6 30.8 21.7 13.1 81 60GA N E -M 74 0D 110 -2,-0.5 -7,-0.2 -7,-0.2 -8,-0.1 -0.176 29.3-167.6-167.7 63.2 34.2 20.0 13.5 82 60HA F - 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