==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR/DNA 31-JAN-12 4DIH . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.RUSSO KRAUSS,A.MERLINO,L.MAZZARELLA,F.SICA . 277 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 62.8 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 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 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 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 0 120 0, 0.0 2,-1.5 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0-174.1 -14.6 -2.4 7.2 2 1AL D + 0 0 73 2,-0.1 2,-0.3 144,-0.0 0, 0.0 -0.671 360.0 112.8 -93.0 84.4 -13.0 -2.6 10.6 3 1 L a + 0 0 25 -2,-1.5 143,-0.3 141,-0.1 3,-0.1 -0.986 63.0 20.0-148.6 152.8 -11.0 0.6 10.6 4 2 L G S S+ 0 0 0 141,-3.0 236,-2.1 -2,-0.3 2,-0.5 0.532 88.1 108.7 68.5 7.5 -11.1 3.9 12.5 5 3 L L - 0 0 28 140,-0.3 -1,-0.1 234,-0.2 234,-0.1 -0.975 61.2-143.1-118.4 122.3 -13.1 2.5 15.5 6 4 L R > > - 0 0 0 -2,-0.5 5,-2.5 1,-0.1 3,-1.5 -0.773 6.6-143.7 -93.9 128.1 -11.1 2.2 18.8 7 5 L P T 3 5S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 134,-0.1 0.852 102.6 46.0 -53.8 -37.7 -11.8 -0.8 21.0 8 6 L L T 3 5S+ 0 0 30 133,-0.5 31,-0.1 30,-0.3 133,-0.0 0.496 128.1 19.5 -89.5 -0.6 -11.1 1.4 24.1 9 7 L F T X >S+ 0 0 15 -3,-1.5 5,-2.3 29,-0.1 3,-1.2 0.446 128.3 25.7-127.8 -85.0 -13.2 4.4 23.0 10 8 L E G > 5S+ 0 0 25 1,-0.3 3,-1.4 3,-0.2 -2,-0.1 0.882 120.6 56.4 -55.5 -38.3 -15.8 4.2 20.3 11 9 L K G 3 - 0 0 2 -2,-0.3 3,-0.6 1,-0.1 4,-0.5 -0.426 41.7 -93.4 -83.6 172.8 -11.0 10.4 24.7 17 14AL K T 3 S+ 0 0 105 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.686 114.0 22.4 -67.1 -16.7 -10.2 13.6 26.6 18 14BL T T >> S+ 0 0 38 2,-0.1 3,-1.4 1,-0.1 4,-0.7 0.459 84.1 101.5-130.7 4.5 -10.0 16.0 23.6 19 14CL E H X> S+ 0 0 5 -3,-0.6 4,-2.2 1,-0.3 3,-1.0 0.844 76.5 70.2 -59.8 -27.5 -11.9 14.6 20.7 20 14DL R H 3> S+ 0 0 141 -4,-0.5 4,-2.5 1,-0.3 -1,-0.3 0.892 89.4 60.1 -56.3 -35.8 -14.6 17.0 21.6 21 14EL E H <> S+ 0 0 40 -3,-1.4 4,-1.1 1,-0.2 -1,-0.3 0.841 105.9 50.0 -59.4 -30.7 -12.5 20.0 20.4 22 14FL L H XX S+ 0 0 0 -3,-1.0 4,-0.7 -4,-0.7 3,-0.6 0.966 109.1 48.6 -72.6 -50.6 -12.4 18.3 17.0 23 14GL L H >X S+ 0 0 48 -4,-2.2 3,-1.3 1,-0.2 4,-0.6 0.896 109.2 53.7 -54.9 -44.3 -16.1 17.9 16.8 24 14HL E H >< S+ 0 0 118 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.799 97.2 66.1 -60.2 -31.3 -16.7 21.5 17.8 25 14IL S H << S+ 0 0 23 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.779 93.4 59.5 -66.2 -22.2 -14.5 22.7 15.1 26 14JL Y H << 0 0 28 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.830 360.0 360.0 -72.5 -25.0 -17.0 21.4 12.6 27 14KL I << 0 0 182 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.745 360.0 360.0-113.7 360.0 -19.5 23.7 14.1 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 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 125.4 5.1 17.1 18.9 30 17 H V B -A 220 0A 10 190,-2.7 190,-1.6 1,-0.2 143,-0.1 -0.858 360.0 -0.8-104.4 133.2 5.4 20.5 20.5 31 18 H E S S+ 0 0 135 141,-0.5 -1,-0.2 -2,-0.5 187,-0.2 0.834 101.2 119.8 61.5 34.9 2.9 21.8 23.0 32 19 H G - 0 0 29 -3,-0.4 2,-0.3 152,-0.1 152,-0.2 -0.246 55.3-121.8-105.9-153.3 0.8 18.6 22.9 33 20 H S E -B 183 0B 48 150,-2.5 150,-2.8 -2,-0.1 2,-0.2 -0.904 35.4 -71.2-146.9 168.6 0.1 16.3 25.7 34 21 H D E -B 182 0B 91 -2,-0.3 148,-0.2 148,-0.2 147,-0.1 -0.435 52.6-122.6 -64.2 136.3 0.5 12.6 26.6 35 22 H A - 0 0 5 146,-3.0 2,-0.2 -2,-0.2 -1,-0.1 -0.437 24.8-114.5 -74.2 154.0 -1.8 10.4 24.6 36 23 H E > - 0 0 56 1,-0.1 3,-1.9 -2,-0.1 4,-0.3 -0.549 46.3 -83.4 -83.1 156.1 -4.3 8.1 26.5 37 24 H I T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.390 115.8 7.8 -59.2 132.2 -3.7 4.4 26.2 38 25 H G T 3 S+ 0 0 11 104,-0.1 -30,-0.3 55,-0.1 -1,-0.3 0.591 92.0 121.5 71.8 10.3 -5.4 3.1 23.0 39 26 H M S < S+ 0 0 3 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.780 84.7 24.2 -73.0 -26.6 -6.2 6.5 21.8 40 27 H S S > S+ 0 0 13 -4,-0.3 3,-2.3 102,-0.1 -1,-0.3 -0.551 70.4 165.3-136.4 66.1 -4.2 6.1 18.5 41 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.1 0, 0.0 51,-0.2 0.667 74.6 60.3 -64.2 -17.3 -4.2 2.4 17.9 42 29 H W T 3 S+ 0 0 2 101,-0.2 18,-1.9 103,-0.1 2,-0.2 0.400 78.0 120.1 -83.0 -1.4 -3.1 2.9 14.3 43 30 H Q E < -J 59 0C 3 -3,-2.3 49,-1.0 16,-0.2 50,-0.4 -0.485 44.0-171.6 -69.9 132.8 0.2 4.7 15.5 44 31 H V E -JK 58 91C 0 14,-2.5 14,-0.9 -2,-0.2 2,-0.5 -0.939 17.1-141.6-126.4 145.7 3.3 2.9 14.3 45 32 H M E -JK 57 90C 0 45,-2.8 45,-2.6 -2,-0.3 2,-0.6 -0.946 9.6-147.6-108.7 125.0 6.9 3.5 15.2 46 33 H L E -JK 56 89C 0 10,-3.3 9,-2.9 -2,-0.5 10,-1.4 -0.861 26.8-166.6 -88.0 124.2 9.6 3.1 12.4 47 34 H F E -JK 54 88C 22 41,-3.3 41,-2.3 -2,-0.6 2,-0.5 -0.917 19.0-141.9-125.0 134.5 12.7 1.8 14.2 48 35 H R E > -JK 53 87C 55 5,-3.0 5,-1.6 -2,-0.4 39,-0.2 -0.817 10.5-150.8 -91.1 132.8 16.3 1.6 13.1 49 36 H K T 5S+ 0 0 74 37,-1.8 -1,-0.2 -2,-0.5 38,-0.1 0.957 72.4 61.7 -69.0 -47.9 18.1 -1.6 14.3 50 36AH S T 5S+ 0 0 92 36,-0.3 -1,-0.2 1,-0.3 2,-0.2 -0.938 120.1 12.8-141.1 113.5 21.6 -0.3 14.5 51 37 H P T 5S- 0 0 94 0, 0.0 2,-0.6 0, 0.0 -1,-0.3 0.663 108.1-120.2 -70.5 164.8 22.1 1.8 16.3 52 38 H Q T 5 + 0 0 153 -2,-0.2 2,-0.3 -5,-0.1 -3,-0.2 -0.627 56.2 134.2 -75.6 117.5 18.7 1.3 17.9 53 39 H E E < -J 48 0C 85 -5,-1.6 -5,-3.0 -2,-0.6 2,-0.4 -0.988 60.3 -98.0-161.6 154.9 16.6 4.4 17.5 54 40 H L E +J 47 0C 42 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.600 35.9 178.3 -72.6 125.3 13.3 5.8 16.6 55 41 H L E - 0 0 23 -9,-2.9 2,-0.3 -2,-0.4 -8,-0.2 0.847 54.4 -36.4 -93.2 -46.4 13.4 7.0 13.0 56 42 H b E -J 46 0C 7 -10,-1.4 -10,-3.3 169,-0.1 -1,-0.4 -0.959 55.8 -93.1-164.8 175.7 9.8 8.2 12.4 57 43 H G E +J 45 0C 2 169,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.326 40.1 167.4 -91.6 177.0 6.1 7.7 12.9 58 44 H A E -J 44 0C 0 -14,-0.9 -14,-2.5 -2,-0.1 2,-0.3 -0.936 23.6-118.5-177.1 176.4 3.8 5.8 10.6 59 45 H S E -JL 43 67C 0 8,-2.6 8,-2.7 -2,-0.3 2,-0.5 -0.985 12.2-124.7-140.2 154.1 0.3 4.3 10.5 60 46 H L E + L 0 66C 0 -18,-1.9 86,-2.2 -2,-0.3 6,-0.2 -0.796 29.3 167.1 -94.4 121.9 -1.5 1.0 10.2 61 47 H I S S- 0 0 21 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.533 70.9 -4.6-115.4 -10.4 -3.9 1.0 7.4 62 48 H S S S- 0 0 36 3,-1.3 -1,-0.3 85,-0.1 3,-0.2 -0.918 87.8 -85.7-159.2-178.1 -4.6 -2.8 7.2 63 49 H D S S+ 0 0 72 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.691 128.8 30.6 -72.8 -8.1 -3.2 -5.9 9.0 64 50 H R S S+ 0 0 78 72,-0.2 69,-2.7 1,-0.1 2,-0.4 0.488 108.0 72.8-124.7 -0.1 -0.4 -6.0 6.5 65 51 H W E - M 0 132C 16 -3,-0.2 -4,-2.3 67,-0.2 -3,-1.3 -0.951 48.7-171.0-129.4 137.1 0.2 -2.4 5.3 66 52 H V E -LM 60 131C 0 65,-2.0 65,-2.7 -2,-0.4 2,-0.4 -0.965 12.1-151.0-125.0 133.5 1.9 0.5 7.0 67 53 H L E +LM 59 130C 0 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.2 -0.863 27.0 151.2-105.9 140.5 1.9 4.0 5.5 68 54 H T E - M 0 129C 0 61,-2.6 61,-2.2 -2,-0.4 2,-0.4 -0.861 49.8 -76.4-153.0-177.0 4.6 6.6 6.2 69 55 H A > - 0 0 0 -12,-0.4 3,-1.6 59,-0.2 4,-0.4 -0.808 35.9-133.5 -87.2 139.0 6.4 9.6 4.7 70 56 H A G >> S+ 0 0 0 -2,-0.4 4,-3.0 1,-0.3 3,-2.0 0.822 103.1 65.2 -60.8 -33.1 8.9 8.6 1.9 71 57 H H G 34 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 176,-0.0 0.703 89.8 65.6 -67.2 -14.2 11.6 10.9 3.4 72 58 H b G <4 S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.712 117.6 26.1 -73.2 -20.7 11.7 8.6 6.4 73 59 H L T <4 S+ 0 0 1 -3,-2.0 9,-2.5 -4,-0.4 2,-0.4 0.704 130.7 30.7-110.5 -32.8 13.0 6.0 4.0 74 60 H L E < +P 81 0D 41 -4,-3.0 -1,-0.3 7,-0.2 7,-0.2 -0.948 57.8 136.8-136.0 115.4 14.7 7.9 1.2 75 60AH Y E > > -P 80 0D 16 5,-2.6 3,-2.3 -2,-0.4 5,-2.1 -0.547 24.1-171.1-155.1 87.5 16.4 11.3 1.5 76 60BH P G > 5S+ 0 0 57 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.787 82.4 66.6 -51.6 -36.0 19.8 11.6 -0.3 77 60CH P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.758 110.7 38.9 -61.4 -19.5 20.7 15.0 1.2 78 60DH W G < 5S- 0 0 133 -3,-2.3 3,-0.1 2,-0.1 -3,-0.0 0.036 120.1-111.0-109.8 24.4 21.0 13.2 4.6 79 60EH D T < 5 + 0 0 153 -3,-2.5 2,-0.6 1,-0.2 -5,-0.0 0.824 67.1 157.1 50.0 35.2 22.6 10.1 3.0 80 60FH K E < +P 75 0D 41 -5,-2.1 -5,-2.6 1,-0.0 -1,-0.2 -0.809 12.0 138.4 -98.0 119.4 19.4 8.3 3.7 81 60GH N E -P 74 0D 123 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.441 29.7-165.9-155.3 79.9 18.4 5.3 1.8 82 60HH F - 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