==== 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 30-APR-04 1T4U . COMPND 2 MOLECULE: PROTHROMBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.SPURLINO . 286 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12797.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 63.3 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 . 78 27.3 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 . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 8.0 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 1 1 1 0 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 . 5 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 7 L A 0 0 127 0, 0.0 145,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.8 13.5 19.4 20.1 2 8 L D > + 0 0 73 143,-0.1 3,-1.6 2,-0.0 144,-0.1 0.263 360.0 143.6 -99.0 2.7 10.1 18.4 18.8 3 9 L a T 3 + 0 0 29 1,-0.3 142,-0.2 142,-0.1 143,-0.1 -0.034 59.8 15.1 -53.1 139.9 10.8 14.9 19.9 4 10 L G T 3 S+ 0 0 0 140,-2.3 235,-1.1 234,-0.2 2,-0.7 0.417 91.7 115.5 79.1 2.1 8.2 12.7 21.3 5 11 L L < - 0 0 35 -3,-1.6 -1,-0.2 139,-0.3 233,-0.1 -0.884 61.2-141.0-106.2 106.0 5.3 14.9 20.2 6 12 L R > > - 0 0 0 -2,-0.7 3,-2.4 1,-0.1 5,-1.7 -0.500 5.4-140.0 -73.3 122.6 3.2 12.9 17.6 7 13 L P T 3 5S+ 0 0 19 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.864 102.6 41.2 -40.9 -45.0 1.8 14.9 14.6 8 14 L L T 3 5S+ 0 0 31 132,-0.5 30,-0.1 29,-0.2 -2,-0.1 0.291 129.0 19.4 -98.0 5.6 -1.5 13.1 14.8 9 15 L F T X>>S+ 0 0 13 -3,-2.4 5,-2.7 28,-0.1 3,-1.4 0.276 126.3 27.6-131.5 -87.5 -2.0 13.0 18.5 10 16 L E G >45S+ 0 0 32 1,-0.3 3,-1.3 3,-0.2 -5,-0.1 0.887 121.7 54.6 -51.2 -41.6 -0.3 15.3 21.0 11 17 L K G 34 - 0 0 6 -2,-0.4 3,-0.6 22,-0.1 4,-0.4 -0.397 34.3 -97.4 -80.0 171.6 -4.6 7.1 21.4 17 23 L K T 3 S+ 0 0 180 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.722 114.4 24.9 -67.9 -24.7 -6.7 4.2 22.5 18 24 L T T >> S+ 0 0 38 1,-0.1 3,-1.6 2,-0.1 4,-0.8 0.452 86.5 99.6-121.9 0.8 -4.4 2.8 25.2 19 25 L E H <> S+ 0 0 0 -3,-0.6 4,-1.9 1,-0.3 5,-0.2 0.772 77.3 66.0 -66.1 -17.9 -2.1 5.6 26.4 20 26 L R H 3> S+ 0 0 141 -4,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.796 92.9 61.1 -70.8 -30.9 -4.3 6.2 29.4 21 27 L E H <> S+ 0 0 51 -3,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.901 106.4 47.0 -60.2 -39.6 -3.3 2.7 30.7 22 28 L L H >< S+ 0 0 0 -4,-0.8 3,-1.1 -3,-0.2 140,-0.5 0.958 115.4 42.8 -63.5 -52.0 0.3 3.9 30.8 23 29 L L H >< S+ 0 0 37 -4,-1.9 3,-1.7 1,-0.3 -2,-0.2 0.868 108.1 58.6 -72.9 -30.1 -0.4 7.2 32.5 24 30 L E H 3< S+ 0 0 142 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.689 102.9 57.1 -70.6 -16.3 -2.8 5.6 35.0 25 31 L S T << 0 0 24 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.434 360.0 360.0 -91.4 -8.6 0.1 3.3 36.0 26 32 L Y < 0 0 77 -3,-1.7 -1,-0.2 -4,-0.2 -3,-0.0 -0.550 360.0 360.0 -90.5 360.0 2.4 6.2 37.0 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 37 H I 0 0 0 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.1 4.2 -9.1 19.7 29 38 H V B +A 219 0A 10 190,-2.9 190,-1.4 1,-0.2 143,-0.1 -0.931 360.0 2.9-106.5 123.4 2.1 -11.7 21.5 30 39 H E S S+ 0 0 133 -2,-0.5 2,-0.2 141,-0.4 -1,-0.2 0.894 99.7 124.7 70.5 37.4 -1.3 -10.6 22.8 31 40 H G - 0 0 23 -3,-0.4 -1,-0.2 152,-0.1 2,-0.2 -0.668 52.9-124.6-110.8 176.5 -1.1 -7.1 21.4 32 41 H S E -B 182 0B 75 150,-1.9 150,-2.6 -2,-0.2 2,-0.1 -0.664 37.3 -76.5-113.6 172.9 -3.5 -5.2 19.2 33 42 H D E -B 181 0B 98 148,-0.2 148,-0.3 -2,-0.2 147,-0.1 -0.452 51.4-116.3 -64.4 146.1 -3.1 -3.4 15.8 34 43 H A - 0 0 7 146,-3.2 2,-0.3 -2,-0.1 -1,-0.1 -0.386 25.0-115.8 -79.1 157.1 -1.4 0.0 16.0 35 44 H E > - 0 0 46 1,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.675 43.2 -88.2 -84.5 150.8 -3.3 3.1 15.1 36 45 H I T 3 S+ 0 0 87 -2,-0.3 -1,-0.1 1,-0.3 57,-0.1 -0.335 116.0 11.4 -54.8 140.3 -2.0 5.1 12.2 37 46 H G T 3 S+ 0 0 11 54,-0.1 -1,-0.3 2,-0.1 -29,-0.2 0.485 92.9 123.1 66.9 9.0 0.6 7.6 13.3 38 47 H M S < S+ 0 0 6 -3,-2.1 -2,-0.1 1,-0.3 -32,-0.1 0.866 81.9 21.1 -78.6 -35.0 0.8 5.9 16.7 39 48 H S > + 0 0 10 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.591 69.5 169.1-126.9 77.9 4.5 5.1 16.8 40 49 H P T 3 S+ 0 0 4 0, 0.0 103,-1.5 0, 0.0 51,-0.1 0.554 75.8 56.9 -79.1 0.4 6.0 7.5 14.2 41 50 H W T 3 S+ 0 0 3 101,-0.2 18,-2.0 103,-0.1 2,-0.3 0.336 76.4 119.2 -98.0 -6.9 9.6 6.7 15.3 42 51 H Q E < -J 58 0C 5 -3,-2.5 49,-0.8 16,-0.2 2,-0.4 -0.594 46.3-170.4 -68.5 120.2 9.1 3.0 14.7 43 52 H V E -JK 57 90C 0 14,-3.1 14,-1.0 -2,-0.3 2,-0.5 -0.896 15.1-137.5-110.0 146.1 11.6 2.0 12.0 44 53 H M E -JK 56 89C 0 45,-2.8 45,-2.9 -2,-0.4 2,-0.6 -0.941 8.2-144.8-106.4 126.1 11.8 -1.3 10.2 45 54 H L E -JK 55 88C 0 10,-3.2 9,-3.3 -2,-0.5 10,-1.1 -0.819 26.5-168.9 -85.0 122.3 15.2 -3.0 9.6 46 55 H F E -JK 53 87C 0 41,-3.1 41,-2.2 -2,-0.6 7,-0.2 -0.939 19.4-137.0-129.5 118.6 15.0 -4.7 6.2 47 56 H R E > -JK 52 86C 73 5,-3.2 5,-0.8 -2,-0.5 39,-0.2 -0.412 10.2-148.8 -66.4 138.4 17.3 -7.2 4.5 48 57 H K T 5S+ 0 0 26 37,-1.6 3,-0.2 1,-0.3 -1,-0.1 0.940 79.5 43.5 -76.3 -52.0 17.9 -6.4 0.8 49 58 H S T 5S+ 0 0 98 1,-0.4 -1,-0.3 36,-0.3 2,-0.2 -0.934 123.0 23.9-147.6 123.5 18.3 -10.1 -0.3 50 59 H P T 5S- 0 0 74 0, 0.0 2,-0.8 0, 0.0 -1,-0.4 0.677 105.1-130.2 -62.7 139.9 16.6 -12.1 0.6 51 60 H Q T 5 + 0 0 51 -3,-0.2 2,-0.3 -2,-0.2 229,-0.3 -0.668 54.5 140.3 -60.9 107.0 14.2 -9.2 1.1 52 61 H E E < -J 47 0C 71 -5,-0.8 -5,-3.2 -2,-0.8 2,-0.3 -0.996 60.6 -95.3-156.0 147.8 13.1 -9.8 4.7 53 62 H L E +J 46 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.580 38.7 175.7 -61.3 120.7 12.2 -8.1 8.0 54 63 H L E - 0 0 26 -9,-3.3 2,-0.3 1,-0.4 169,-0.2 0.820 55.4 -39.8 -88.1 -51.0 15.4 -8.2 10.1 55 64 H b E -J 45 0C 4 -10,-1.1 -10,-3.2 169,-0.1 -1,-0.4 -0.943 54.0 -99.8-167.6 159.6 14.4 -6.3 13.2 56 65 H G E +J 44 0C 1 169,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.461 41.4 167.7 -81.1-175.3 12.6 -3.2 14.5 57 66 H A E -J 43 0C 0 -14,-1.0 -14,-3.1 -2,-0.2 2,-0.3 -0.939 24.9-110.3 174.3 173.1 14.4 -0.0 15.4 58 67 H S E -JL 42 66C 0 8,-2.0 8,-2.3 -2,-0.3 2,-0.7 -0.965 12.6-125.8-139.7 152.4 13.7 3.6 16.2 59 68 H L E + L 0 65C 0 -18,-2.0 86,-2.4 -2,-0.3 6,-0.2 -0.821 31.9 164.3 -98.7 112.5 14.1 7.1 14.8 60 69 H I - 0 0 22 4,-2.1 2,-0.2 -2,-0.7 -1,-0.2 0.683 69.8 -5.4-107.3 -20.8 15.9 9.3 17.2 61 70 H S S S- 0 0 34 3,-1.3 -1,-0.2 85,-0.1 3,-0.1 -0.851 86.4 -85.2-143.7-163.6 16.8 12.1 14.8 62 71 H D S S+ 0 0 70 -2,-0.2 74,-2.6 1,-0.2 72,-0.1 0.717 129.0 28.4 -79.2 -9.4 16.5 12.8 11.1 63 72 H R S S+ 0 0 61 72,-0.2 69,-2.6 1,-0.1 2,-0.4 0.423 108.9 75.4-127.1 -5.3 19.8 11.0 10.6 64 73 H W E - M 0 131C 18 67,-0.2 -4,-2.1 -3,-0.1 -3,-1.3 -0.952 46.6-173.3-123.4 139.4 20.0 8.4 13.4 65 74 H V E -LM 59 130C 0 65,-2.0 65,-2.9 -2,-0.4 2,-0.4 -0.964 13.6-150.6-125.4 138.2 18.4 5.1 14.1 66 75 H L E +LM 58 129C 0 -8,-2.3 -8,-2.0 -2,-0.4 2,-0.2 -0.894 27.8 151.0-112.9 130.7 18.8 3.2 17.3 67 76 H T E - M 0 128C 0 61,-2.7 61,-1.8 -2,-0.4 2,-0.5 -0.765 48.6 -74.8-146.3 179.7 18.6 -0.6 17.4 68 77 H A > - 0 0 0 -12,-0.4 3,-2.2 -2,-0.2 4,-0.4 -0.868 34.2-138.5 -82.9 132.1 19.7 -3.8 19.2 69 78 H A G >> S+ 0 0 0 -2,-0.5 4,-2.3 1,-0.3 3,-2.1 0.839 100.1 65.5 -62.2 -31.0 23.3 -4.8 18.4 70 79 H H G 34 S+ 0 0 18 1,-0.3 -1,-0.3 2,-0.2 155,-0.0 0.640 89.9 67.8 -69.9 -8.2 22.4 -8.5 18.2 71 80 H b G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.709 114.3 27.5 -71.6 -28.5 20.3 -7.6 15.1 72 81 H L T <4 S+ 0 0 0 -3,-2.1 9,-3.0 -4,-0.4 2,-0.4 0.717 131.0 27.2-103.9 -37.8 23.5 -6.8 13.2 73 82 H L E < +P 80 0D 37 -4,-2.3 -1,-0.3 7,-0.2 7,-0.2 -0.957 57.2 142.6-142.3 111.8 26.1 -8.9 14.8 74 83 H Y E > > -P 79 0D 44 5,-3.1 3,-2.4 -2,-0.4 5,-1.1 -0.517 22.1-171.4-151.5 84.0 25.5 -12.2 16.6 75 84 H P G > 5S+ 0 0 45 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.736 79.0 69.7 -51.3 -36.8 28.4 -14.7 15.9 76 85 H P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 0, 0.0 0.708 112.5 34.7 -57.2 -21.0 26.7 -17.8 17.5 77 86 H W G < 5S- 0 0 170 -3,-2.4 3,-0.1 2,-0.2 0, 0.0 0.221 115.3-111.2-114.8 16.0 24.3 -17.6 14.5 78 87 H D T < 5 + 0 0 155 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.939 66.9 151.4 52.5 41.5 26.8 -16.4 11.9 79 88 H K E < +P 74 0D 41 -5,-1.1 -5,-3.1 2,-0.0 -1,-0.2 -0.966 2.6 142.0-103.5 118.4 24.9 -13.1 11.8 80 89 H N E -P 73 0D 114 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.507 23.5-177.8-155.4 80.9 27.1 -10.1 10.8 81 90 H F - 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