==== 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 4DII . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.RUSSO KRAUSS,A.MERLINO,L.MAZZARELLA,F.SICA . 278 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 61.2 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 27.3 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 10.1 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 1 0 1 2 0 0 0 1 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 0 124 0, 0.0 2,-1.4 0, 0.0 146,-0.0 0.000 360.0 360.0 360.0 166.2 -14.5 -2.3 6.9 2 1AL D + 0 0 83 2,-0.1 2,-0.3 144,-0.0 0, 0.0 -0.697 360.0 113.7 -90.5 86.6 -13.2 -2.6 10.5 3 1 L a + 0 0 21 -2,-1.4 143,-0.3 141,-0.1 3,-0.1 -0.988 56.6 25.3-150.1 156.7 -11.3 0.7 10.7 4 2 L G S S+ 0 0 0 141,-2.7 236,-1.5 -2,-0.3 2,-0.5 0.445 87.5 106.3 71.2 0.9 -11.5 4.0 12.6 5 3 L L - 0 0 31 140,-0.3 -1,-0.1 234,-0.2 234,-0.1 -0.964 60.7-145.0-115.6 119.9 -13.3 2.6 15.7 6 4 L R > > - 0 0 0 -2,-0.5 5,-2.2 1,-0.1 3,-1.4 -0.682 7.2-143.1 -89.1 128.5 -11.3 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 0.855 102.2 45.7 -52.8 -39.5 -12.0 -0.7 21.2 8 6 L L T 3 5S+ 0 0 35 133,-0.4 31,-0.1 30,-0.3 133,-0.0 0.530 128.7 19.3 -87.6 -3.2 -11.4 1.4 24.3 9 7 L F T X>>S+ 0 0 16 -3,-1.4 5,-2.6 29,-0.2 3,-1.7 0.530 126.5 28.6-126.1 -82.0 -13.3 4.4 23.1 10 8 L E G >45S+ 0 0 21 1,-0.3 3,-1.2 3,-0.2 -2,-0.1 0.886 120.6 53.9 -55.1 -41.5 -16.0 4.3 20.4 11 9 L K G 34> S+ 0 0 42 2,-0.1 3,-1.0 1,-0.0 4,-0.7 0.461 84.6 100.4-136.4 5.3 -9.9 16.2 23.6 19 14CL E H >> S+ 0 0 3 -3,-0.3 4,-2.3 1,-0.2 3,-0.7 0.799 77.1 69.1 -62.3 -27.7 -12.0 14.9 20.7 20 14DL R H 3> S+ 0 0 136 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.871 92.8 59.4 -55.5 -38.6 -14.8 17.3 21.6 21 14EL E H <> S+ 0 0 45 -3,-1.0 4,-1.3 2,-0.2 -1,-0.3 0.852 106.2 47.2 -58.6 -38.2 -12.5 20.1 20.5 22 14FL L H < S+ 0 0 50 -4,-2.3 3,-1.2 1,-0.2 4,-0.5 0.918 109.0 51.9 -54.0 -44.8 -16.2 18.1 16.9 24 14HL E H >< S+ 0 0 118 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.828 97.5 65.5 -64.9 -33.2 -16.8 21.8 17.9 25 14IL S H 3< S+ 0 0 25 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.767 92.6 63.9 -63.0 -20.9 -14.5 23.1 15.2 26 14JL Y T << 0 0 29 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.811 360.0 360.0 -71.9 -23.1 -17.0 21.7 12.6 27 14KL I < 0 0 180 -3,-1.3 -3,-0.1 -4,-0.5 -2,-0.0 0.379 360.0 360.0-123.0 360.0 -19.7 24.1 13.9 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 H I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 118.6 5.3 17.1 18.9 30 17 H V B -A 220 0A 12 190,-2.5 190,-1.6 1,-0.2 143,-0.1 -0.801 360.0 -4.4 -95.9 127.9 5.6 20.6 20.3 31 18 H E S S+ 0 0 131 141,-0.5 -1,-0.2 -2,-0.5 187,-0.1 0.817 99.0 124.5 61.4 36.7 3.1 21.6 22.9 32 19 H G - 0 0 28 -3,-0.5 2,-0.3 152,-0.1 152,-0.2 -0.184 52.0-121.7-102.1-157.4 1.0 18.5 22.8 33 20 H S E -B 183 0B 61 150,-1.9 150,-2.7 -2,-0.1 2,-0.1 -0.922 33.6 -71.9-144.8 169.6 0.1 16.2 25.7 34 21 H D E -B 182 0B 96 -2,-0.3 2,-0.3 148,-0.2 148,-0.2 -0.391 48.5-123.7 -66.7 135.6 0.4 12.6 26.7 35 22 H A - 0 0 16 146,-2.4 146,-0.1 -2,-0.1 3,-0.1 -0.656 21.6-123.6 -82.1 133.2 -1.8 10.2 24.8 36 23 H E > - 0 0 61 -2,-0.3 3,-1.4 1,-0.1 4,-0.2 -0.353 45.0 -82.3 -68.2 158.6 -4.2 8.0 26.9 37 24 H I T 3 S+ 0 0 114 1,-0.2 -1,-0.1 2,-0.1 105,-0.0 -0.370 113.8 10.6 -63.0 137.4 -3.8 4.2 26.4 38 25 H G T 3 S+ 0 0 6 104,-0.1 -30,-0.3 2,-0.1 -1,-0.2 0.441 92.2 116.5 73.7 1.0 -5.7 2.8 23.3 39 26 H M S < S+ 0 0 9 -3,-1.4 -2,-0.1 1,-0.3 -33,-0.1 0.692 85.5 25.3 -77.2 -16.9 -6.4 6.3 22.0 40 27 H S S > S+ 0 0 18 -4,-0.2 3,-2.1 102,-0.1 -1,-0.3 -0.568 70.8 163.2-141.2 65.1 -4.4 6.0 18.7 41 28 H P T 3 S+ 0 0 3 0, 0.0 103,-1.1 0, 0.0 51,-0.2 0.645 72.9 61.8 -66.8 -11.9 -4.3 2.1 18.1 42 29 H W T 3 S+ 0 0 3 101,-0.2 18,-2.1 103,-0.1 104,-0.2 0.376 76.4 123.3 -89.3 0.1 -3.3 2.6 14.5 43 30 H Q E < -J 59 0C 9 -3,-2.1 49,-0.9 16,-0.2 2,-0.4 -0.437 41.2-172.0 -65.7 136.0 0.0 4.3 15.6 44 31 H V E -JK 58 91C 0 14,-2.1 14,-1.1 47,-0.2 2,-0.5 -0.972 13.8-146.7-129.4 141.9 3.1 2.5 14.2 45 32 H M E -JK 57 90C 1 45,-2.5 45,-2.3 -2,-0.4 2,-0.6 -0.927 12.4-143.8-110.7 130.8 6.8 3.2 15.1 46 33 H L E -JK 56 89C 0 10,-2.6 9,-2.7 -2,-0.5 10,-1.4 -0.879 21.2-169.7-100.5 121.4 9.5 2.8 12.4 47 34 H F E -JK 54 88C 9 41,-2.9 41,-2.2 -2,-0.6 2,-0.5 -0.855 28.3-127.6-114.2 139.5 12.8 1.4 13.6 48 35 H R E > -JK 53 87C 59 5,-2.8 5,-1.1 -2,-0.3 39,-0.3 -0.743 29.4-141.8 -76.6 125.5 16.3 1.0 12.0 49 36 H K T 5S+ 0 0 64 37,-2.5 -1,-0.2 -2,-0.5 38,-0.1 0.929 77.6 55.9 -61.2 -51.9 16.9 -2.8 12.7 50 36AH S T 5S+ 0 0 102 36,-0.4 -1,-0.2 1,-0.3 2,-0.2 -0.895 120.3 14.7-139.9 116.9 20.7 -2.5 13.5 51 37 H P T 5S- 0 0 92 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.592 104.7-115.3 -76.4 161.3 21.4 -0.7 15.6 52 38 H Q T 5 + 0 0 113 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.484 51.8 157.9 -63.3 126.5 17.9 -0.3 17.1 53 39 H E E < -J 48 0C 90 -5,-1.1 -5,-2.8 -2,-0.2 2,-0.7 -0.938 43.8-121.3-155.5 131.5 17.0 3.3 16.6 54 40 H L E +J 47 0C 36 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.640 37.4 168.1 -76.3 111.8 13.6 5.1 16.4 55 41 H L E - 0 0 20 -9,-2.7 2,-0.3 -2,-0.7 -8,-0.2 0.899 49.0 -26.8 -92.4 -48.7 13.3 6.8 13.0 56 42 H b E -J 46 0C 12 -10,-1.4 -10,-2.6 169,-0.1 -1,-0.2 -0.897 57.0 -96.5-155.8-179.6 9.8 8.0 12.3 57 43 H G E +J 45 0C 6 169,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.481 37.3 171.6-101.2 176.3 6.1 7.5 12.9 58 44 H A E -J 44 0C 0 -14,-1.1 -14,-2.1 -2,-0.2 2,-0.4 -0.934 22.5-121.3-170.4 175.0 3.7 5.6 10.6 59 45 H S E -JL 43 67C 0 8,-2.5 8,-3.3 -2,-0.3 2,-0.6 -0.992 14.5-124.6-139.7 151.4 0.1 4.4 10.5 60 46 H L E + L 0 66C 0 -18,-2.1 86,-2.1 -2,-0.4 6,-0.2 -0.792 28.2 169.3 -93.5 118.3 -1.6 1.0 10.2 61 47 H I - 0 0 21 4,-2.2 2,-0.3 -2,-0.6 5,-0.2 0.572 69.9 -6.7-108.7 -9.4 -4.2 0.9 7.4 62 48 H S S S- 0 0 36 3,-1.4 -1,-0.3 85,-0.1 3,-0.2 -0.939 87.3 -82.6-164.8 177.9 -4.9 -2.9 7.3 63 49 H D S S+ 0 0 71 -2,-0.3 74,-2.2 1,-0.2 3,-0.1 0.696 128.6 26.9 -70.6 -7.6 -3.5 -6.0 9.0 64 50 H R S S+ 0 0 71 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.469 109.6 72.6-130.0 -2.4 -0.7 -6.1 6.5 65 51 H W E - M 0 132C 9 67,-0.2 -4,-2.2 -3,-0.2 -3,-1.4 -0.963 50.6-170.9-123.1 137.6 -0.1 -2.6 5.2 66 52 H V E -LM 60 131C 0 65,-2.5 65,-2.5 -2,-0.4 2,-0.4 -0.947 12.8-146.2-124.1 135.3 1.6 0.4 7.0 67 53 H L E +LM 59 130C 0 -8,-3.3 -8,-2.5 -2,-0.4 2,-0.3 -0.817 29.3 149.6-100.9 141.9 1.6 4.0 5.6 68 54 H T E - M 0 129C 0 61,-2.4 61,-1.9 -2,-0.4 2,-0.4 -0.888 48.3 -76.0-153.7-175.4 4.5 6.5 6.2 69 55 H A >> - 0 0 0 -12,-0.4 3,-1.8 -2,-0.3 4,-0.5 -0.777 32.6-132.2 -91.8 139.3 6.2 9.4 4.6 70 56 H A H >> S+ 0 0 0 -2,-0.4 4,-2.7 1,-0.3 3,-2.2 0.888 104.3 62.4 -52.5 -42.4 8.6 8.7 1.6 71 57 H H H 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.636 92.2 66.2 -62.4 -12.7 11.5 10.9 3.2 72 58 H b H <4 S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.762 116.8 25.2 -76.2 -23.2 11.6 8.5 6.2 73 59 H L H << S+ 0 0 1 -3,-2.2 9,-2.8 -4,-0.5 2,-0.4 0.742 131.0 31.6-106.9 -36.7 12.9 5.8 3.7 74 60 H L E < +P 81 0D 36 -4,-2.7 -1,-0.3 7,-0.2 7,-0.2 -0.966 59.1 132.3-132.5 115.4 14.5 7.8 1.0 75 60AH Y E > > -P 80 0D 15 5,-2.7 3,-1.9 -2,-0.4 5,-1.8 -0.503 25.4-171.1-159.4 85.0 16.3 11.2 1.3 76 60BH P G > 5S+ 0 0 57 0, 0.0 3,-2.5 0, 0.0 5,-0.1 0.777 81.3 68.6 -48.6 -36.3 19.7 11.5 -0.4 77 60CH P G 3 5S+ 0 0 75 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.784 109.8 37.8 -59.0 -23.8 20.6 14.9 1.1 78 60DH W G < 5S- 0 0 135 -3,-1.9 -3,-0.0 2,-0.1 0, 0.0 0.060 121.5-108.5-109.6 19.9 20.9 13.1 4.5 79 60EH D T < 5 + 0 0 155 -3,-2.5 2,-0.5 1,-0.2 -5,-0.0 0.855 69.5 151.8 58.0 36.4 22.4 9.9 2.9 80 60FH K E < +P 75 0D 47 -5,-1.8 -5,-2.7 2,-0.0 -1,-0.2 -0.868 8.6 136.6-106.7 124.0 19.2 8.1 3.5 81 60GH N E -P 74 0D 121 -2,-0.5 -7,-0.2 -7,-0.2 2,-0.2 -0.508 28.9-173.4-162.5 83.4 18.1 5.1 1.3 82 60HH F - 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