==== 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 1T4V . 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) . 12865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.2 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 . 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 . 3 1.0 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 . 36 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 9.1 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 0 2 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 -21.7 13.4 19.4 20.2 2 8 L D > + 0 0 73 143,-0.1 3,-1.4 3,-0.0 144,-0.1 0.228 360.0 139.4-102.8 12.1 10.1 18.4 18.8 3 9 L a T 3 + 0 0 30 1,-0.2 142,-0.2 142,-0.1 143,-0.1 -0.082 59.7 17.5 -57.4 144.6 10.9 14.8 19.9 4 10 L G T 3 S+ 0 0 0 140,-2.6 235,-1.1 1,-0.2 2,-0.6 0.442 91.0 113.8 81.2 0.9 8.2 12.7 21.3 5 11 L L < - 0 0 30 -3,-1.4 -1,-0.2 139,-0.3 233,-0.1 -0.938 59.0-143.0-111.3 113.5 5.2 14.7 20.1 6 12 L R > > - 0 0 0 -2,-0.6 3,-2.1 1,-0.1 5,-1.7 -0.733 5.9-141.8 -80.3 123.8 3.1 12.8 17.5 7 13 L P T 3 5S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 133,-0.1 0.868 101.7 44.4 -48.0 -40.2 1.6 14.9 14.7 8 14 L L T 3 5S+ 0 0 33 132,-0.5 30,-0.1 29,-0.3 132,-0.0 0.473 129.5 16.4 -94.6 2.2 -1.6 12.9 14.7 9 15 L F T X>>S+ 0 0 14 -3,-2.1 5,-2.8 28,-0.1 3,-1.7 0.459 125.8 31.2-131.4 -80.5 -2.1 12.9 18.5 10 16 L E G >45S+ 0 0 30 1,-0.3 3,-1.5 3,-0.2 -2,-0.1 0.895 119.7 53.3 -55.4 -45.1 -0.3 15.2 20.9 11 17 L K G 34> S+ 0 0 44 2,-0.1 3,-1.4 1,-0.1 4,-0.9 0.428 85.9 101.9-126.9 1.5 -4.5 2.8 25.2 19 25 L E H 3> S+ 0 0 1 -3,-0.3 4,-2.3 1,-0.3 5,-0.2 0.772 75.0 69.2 -66.7 -17.1 -2.2 5.6 26.4 20 26 L R H 3> S+ 0 0 146 -4,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.851 93.2 57.5 -63.8 -36.8 -4.5 6.1 29.4 21 27 L E H <> S+ 0 0 46 -3,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.908 107.4 48.9 -58.1 -43.2 -3.4 2.7 30.8 22 28 L L H >X S+ 0 0 0 -4,-0.9 3,-1.2 2,-0.2 4,-0.6 0.987 114.8 43.2 -57.7 -54.9 0.2 4.0 30.7 23 29 L L H >< S+ 0 0 37 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.880 109.9 56.6 -67.6 -30.4 -0.6 7.2 32.5 24 30 L E H 3< S+ 0 0 139 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.746 102.1 56.9 -71.5 -24.9 -2.9 5.5 35.0 25 31 L S H << 0 0 24 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.632 360.0 360.0 -80.0 -16.7 0.0 3.3 36.1 26 32 L Y << 0 0 73 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.1 -0.252 360.0 360.0 -83.1 360.0 2.3 6.2 36.9 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,-0.3 0.000 360.0 360.0 360.0 139.0 4.4 -9.1 19.6 29 38 H V B +A 219 0A 10 190,-2.9 190,-1.5 1,-0.2 143,-0.1 -0.901 360.0 2.7-118.3 128.2 2.3 -11.6 21.4 30 39 H E S S+ 0 0 125 -2,-0.5 -1,-0.2 141,-0.4 187,-0.2 0.747 101.5 125.4 68.6 26.4 -1.1 -10.7 22.8 31 40 H G - 0 0 25 -3,-0.3 2,-0.3 152,-0.1 152,-0.2 -0.095 52.9-121.5 -95.3-165.3 -0.9 -7.2 21.4 32 41 H S E -B 182 0B 70 150,-2.2 150,-2.8 -3,-0.1 2,-0.2 -0.863 35.0 -79.7-134.2 168.2 -3.2 -5.2 19.2 33 42 H D E -B 181 0B 102 -2,-0.3 148,-0.3 148,-0.2 147,-0.1 -0.556 51.9-118.3 -67.3 135.8 -3.0 -3.4 15.8 34 43 H A - 0 0 6 146,-3.1 2,-0.2 -2,-0.2 -1,-0.1 -0.411 24.4-115.2 -68.6 147.8 -1.4 -0.0 16.1 35 44 H E > - 0 0 50 1,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.507 44.7 -87.2 -69.5 155.8 -3.3 3.1 15.2 36 45 H I T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.464 117.0 11.7 -63.1 137.2 -2.1 5.0 12.2 37 46 H G T 3 S+ 0 0 11 -2,-0.1 -29,-0.3 104,-0.1 -1,-0.3 0.445 92.3 125.0 74.7 0.7 0.6 7.5 13.4 38 47 H M S < S+ 0 0 5 -3,-1.7 -2,-0.1 1,-0.3 -22,-0.1 0.790 82.9 19.4 -61.7 -41.2 0.7 5.8 16.8 39 48 H S > + 0 0 11 -4,-0.3 3,-2.4 102,-0.1 -1,-0.3 -0.551 67.7 169.0-130.5 78.5 4.5 5.2 16.8 40 49 H P T 3 S+ 0 0 2 0, 0.0 103,-1.5 0, 0.0 51,-0.1 0.585 76.2 60.1 -76.4 -3.2 6.0 7.5 14.2 41 50 H W T 3 S+ 0 0 2 101,-0.2 18,-2.0 103,-0.1 2,-0.2 0.470 76.2 117.1 -93.2 -9.4 9.5 6.7 15.4 42 51 H Q E < -J 58 0C 5 -3,-2.4 49,-0.9 16,-0.2 2,-0.3 -0.497 46.2-169.6 -66.6 126.1 9.2 3.0 14.7 43 52 H V E -JK 57 90C 0 14,-2.3 14,-1.1 -2,-0.2 2,-0.5 -0.876 15.3-137.8-116.3 146.6 11.6 1.9 12.0 44 53 H M E -JK 56 89C 0 45,-2.3 45,-2.8 -2,-0.3 2,-0.6 -0.947 8.8-146.4-106.8 123.1 11.9 -1.4 10.1 45 54 H L E -JK 55 88C 0 10,-2.5 9,-2.8 -2,-0.5 10,-0.9 -0.856 27.8-168.1 -84.5 122.1 15.2 -3.0 9.5 46 55 H F E -JK 53 87C 0 41,-2.9 41,-2.5 -2,-0.6 2,-0.4 -0.959 19.9-135.0-129.3 126.3 14.9 -4.7 6.1 47 56 H R E > -JK 52 86C 75 5,-3.8 5,-0.8 -2,-0.4 39,-0.2 -0.685 9.2-149.2 -79.4 128.1 17.1 -7.2 4.4 48 57 H K T 5S+ 0 0 26 37,-1.5 3,-0.3 -2,-0.4 -1,-0.1 0.938 80.3 43.3 -58.2 -52.0 17.8 -6.4 0.7 49 58 H S T 5S+ 0 0 96 1,-0.5 -1,-0.2 36,-0.3 2,-0.2 -0.903 123.2 22.0-156.2 119.9 18.1 -10.0 -0.3 50 59 H P T 5S- 0 0 75 0, 0.0 2,-0.8 0, 0.0 -1,-0.5 0.570 106.0-127.5 -65.9 140.7 16.4 -12.2 0.5 51 60 H Q T 5 + 0 0 51 -3,-0.3 2,-0.3 -2,-0.2 229,-0.3 -0.543 54.0 147.2 -63.4 103.2 14.1 -9.2 1.1 52 61 H E E < -J 47 0C 77 -5,-0.8 -5,-3.8 -2,-0.8 2,-0.6 -0.981 57.0-101.5-142.7 154.3 13.1 -9.8 4.8 53 62 H L E +J 46 0C 34 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.701 37.5 174.9 -66.6 114.2 12.2 -8.1 8.1 54 63 H L E - 0 0 22 -9,-2.8 2,-0.3 -2,-0.6 169,-0.2 0.890 53.7 -44.4 -79.5 -52.4 15.4 -8.2 10.2 55 64 H b E -J 45 0C 3 -10,-0.9 -10,-2.5 169,-0.1 -1,-0.3 -0.881 54.5 -89.0-167.9 168.7 14.4 -6.2 13.3 56 65 H G E +J 44 0C 2 169,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.544 40.6 170.3 -88.1 176.2 12.7 -3.2 14.7 57 66 H A E -J 43 0C 0 -14,-1.1 -14,-2.3 -2,-0.2 2,-0.3 -0.911 22.5-122.3-173.3 173.8 14.6 0.1 15.3 58 67 H S E -JL 42 66C 0 8,-1.7 8,-2.6 -2,-0.3 2,-0.6 -0.998 12.9-125.5-142.4 147.4 13.7 3.7 16.3 59 68 H L E + L 0 65C 0 -18,-2.0 86,-2.3 -2,-0.3 6,-0.2 -0.829 29.8 166.8 -95.9 116.7 14.2 7.1 14.8 60 69 H I S S- 0 0 23 4,-2.2 2,-0.3 -2,-0.6 87,-0.2 0.511 71.2 -4.3-108.9 -16.3 15.9 9.5 17.3 61 70 H S S S- 0 0 38 3,-1.2 3,-0.4 85,-0.1 -1,-0.3 -0.937 88.1 -84.1-156.6-175.0 16.8 12.3 14.9 62 71 H D S S+ 0 0 67 -2,-0.3 74,-2.6 1,-0.2 72,-0.1 0.662 128.4 26.7 -73.4 -7.1 16.5 12.9 11.1 63 72 H R S S+ 0 0 61 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.448 108.3 76.3-126.9 -5.1 19.7 11.0 10.6 64 73 H W E - M 0 131C 21 -3,-0.4 -4,-2.2 67,-0.2 -3,-1.2 -0.960 48.6-172.3-124.5 127.9 20.1 8.5 13.5 65 74 H V E -LM 59 130C 0 65,-2.5 65,-2.5 -2,-0.4 2,-0.4 -0.922 12.3-149.7-116.5 141.3 18.4 5.2 14.1 66 75 H L E +LM 58 129C 0 -8,-2.6 -8,-1.7 -2,-0.4 2,-0.2 -0.934 28.0 151.2-113.3 133.7 18.8 3.2 17.3 67 76 H T E - M 0 128C 0 61,-2.5 61,-2.1 -2,-0.4 2,-0.4 -0.816 48.5 -76.9-147.2 179.5 18.6 -0.6 17.3 68 77 H A > - 0 0 0 -12,-0.4 3,-1.9 59,-0.2 4,-0.4 -0.788 33.8-135.2 -85.1 134.5 19.8 -3.8 19.2 69 78 H A G >> S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.3 3,-1.7 0.831 102.5 65.8 -55.9 -33.5 23.4 -4.8 18.4 70 79 H H G 34 S+ 0 0 16 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.625 88.3 68.0 -71.6 -11.2 22.3 -8.4 18.1 71 80 H b G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.726 116.3 24.9 -69.6 -30.3 20.2 -7.5 15.0 72 81 H L T <4 S+ 0 0 1 -3,-1.7 9,-2.4 -4,-0.4 2,-0.5 0.720 129.8 35.0-102.1 -36.9 23.4 -6.8 13.1 73 82 H L E < +P 80 0D 37 -4,-2.5 -1,-0.3 7,-0.2 7,-0.2 -0.933 57.5 136.5-136.0 104.6 26.1 -8.9 14.9 74 83 H Y E > > -P 79 0D 44 5,-3.2 3,-2.5 -2,-0.5 5,-1.6 -0.498 21.7-176.0-149.7 85.7 25.4 -12.3 16.4 75 84 H P G > 5S+ 0 0 47 0, 0.0 3,-2.7 0, 0.0 -1,-0.1 0.761 79.1 68.0 -58.1 -35.0 28.2 -14.8 15.7 76 85 H P G 3 5S+ 0 0 67 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.799 113.1 35.7 -52.6 -26.5 26.5 -17.8 17.3 77 86 H W G < 5S- 0 0 169 -3,-2.5 3,-0.1 2,-0.2 -3,-0.0 0.089 115.4-115.2-112.3 18.1 24.0 -17.5 14.5 78 87 H D T < 5 + 0 0 156 -3,-2.7 2,-0.6 1,-0.2 -5,-0.0 0.780 65.4 151.2 48.9 32.2 26.6 -16.4 11.8 79 88 H K E < +P 74 0D 48 -5,-1.6 -5,-3.2 -9,-0.1 -1,-0.2 -0.839 3.2 144.0 -94.9 115.8 24.8 -13.1 11.7 80 89 H N E -P 73 0D 116 -2,-0.6 -7,-0.2 -7,-0.2 2,-0.2 -0.503 22.6-178.4-151.4 83.1 27.1 -10.2 10.7 81 90 H F - 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