==== 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 09-MAY-07 2PUQ . COMPND 2 MOLECULE: COAGULATION FACTOR VII; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.BJELKE,H.B.RASMUSSEN . 541 6 13 12 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 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 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 14 5 5 8 1 4 0 0 1 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 . 5 1 2 1 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 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 49 L Q > 0 0 124 0, 0.0 3,-0.6 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -38.8 -61.0 4.4 26.4 2 50 L a G > + 0 0 25 1,-0.2 3,-2.2 17,-0.1 5,-0.1 0.580 360.0 107.7 -69.1 -15.5 -59.1 1.3 27.4 3 51 L A G 3 + 0 0 101 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 0.656 66.8 61.2 -47.1 -23.3 -62.6 -0.0 28.3 4 52 L S G < S- 0 0 103 -3,-0.6 -1,-0.3 1,-0.0 -2,-0.1 0.253 103.9-127.4 -89.8 18.5 -62.7 -2.4 25.2 5 53 L S < + 0 0 61 -3,-2.2 -2,-0.1 1,-0.1 -3,-0.1 0.852 42.9 169.0 40.7 59.3 -59.6 -4.4 26.5 6 54 L P + 0 0 25 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.721 42.9 96.2 -82.8 -21.8 -57.6 -4.0 23.2 7 55 L b - 0 0 18 -5,-0.1 3,-0.4 4,-0.1 26,-0.2 -0.606 60.3-166.9 -70.2 108.4 -54.2 -5.3 24.4 8 56 L Q > + 0 0 96 24,-2.0 3,-1.4 -2,-0.8 -1,-0.0 -0.189 58.6 41.0 -81.7 175.4 -53.9 -9.0 23.5 9 57 L N T 3 S- 0 0 64 1,-0.2 16,-0.2 25,-0.1 -1,-0.2 0.692 130.9 -55.2 52.0 27.9 -51.4 -11.6 24.8 10 58 L G T 3 S+ 0 0 72 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.540 93.2 145.8 97.3 5.3 -51.4 -10.4 28.4 11 59 L G < - 0 0 18 -3,-1.4 2,-0.3 21,-0.2 -1,-0.2 -0.330 45.4-120.4 -80.5 161.1 -50.5 -6.8 27.9 12 60 L S E -A 23 0A 54 11,-1.8 11,-2.2 -2,-0.1 2,-0.4 -0.736 19.1-142.0 -95.4 146.6 -51.6 -3.8 30.0 13 61 L a E -A 22 0A 43 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.913 12.3-171.6-106.7 132.9 -53.5 -0.9 28.6 14 62 L K - 0 0 39 7,-2.2 7,-0.4 -2,-0.4 -2,-0.0 -0.924 24.7-135.2-121.0 109.7 -53.0 2.8 29.7 15 63 L D - 0 0 96 -2,-0.5 5,-0.3 5,-0.2 2,-0.3 -0.175 22.9-167.9 -65.3 150.0 -55.7 5.2 28.2 16 64 L Q B > -B 19 0B 30 3,-7.4 3,-1.6 438,-0.1 2,-0.3 -0.781 39.7 -69.7-129.4 168.7 -54.7 8.4 26.7 17 65 L L T 3 S- 0 0 95 1,-0.3 3,-0.1 -2,-0.3 438,-0.0 -0.525 126.0 -6.1 -54.3 119.7 -56.4 11.6 25.5 18 66 L Q T 3 S+ 0 0 106 -2,-0.3 -1,-0.3 1,-0.1 2,-0.3 0.633 141.6 9.8 64.9 8.0 -58.2 10.4 22.4 19 67 L S B < -B 16 0B 50 -3,-1.6 -3,-7.4 2,-0.0 2,-0.2 -0.987 69.8-103.5-178.5-156.8 -56.5 7.0 22.7 20 68 L Y - 0 0 55 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.765 13.0-138.1-141.0-175.7 -54.4 4.3 24.5 21 69 L I - 0 0 11 -7,-0.4 -7,-2.2 -2,-0.2 2,-0.5 -0.949 15.6-141.0-154.4 124.3 -51.1 2.7 24.7 22 70 L b E -A 13 0A 0 9,-0.5 2,-0.7 -2,-0.3 -9,-0.2 -0.840 2.8-156.0 -96.9 125.4 -50.3 -1.0 25.2 23 71 L F E -A 12 0A 8 -11,-2.2 -11,-1.8 -2,-0.5 2,-0.1 -0.896 26.7-152.1 -88.3 112.2 -47.4 -2.1 27.3 24 72 L c - 0 0 10 -2,-0.7 -15,-0.1 -13,-0.2 -14,-0.1 -0.458 14.4-108.2 -88.1 158.5 -46.5 -5.6 26.0 25 73 L L > - 0 0 36 -16,-0.2 3,-2.3 -2,-0.1 -1,-0.1 -0.443 49.7 -91.8 -73.1 159.2 -45.0 -8.6 27.7 26 74 L P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.739 123.3 50.9 -44.9 -37.9 -41.4 -9.4 26.6 27 75 L A T 3 S+ 0 0 28 10,-0.1 10,-2.5 9,-0.0 11,-0.6 0.344 104.9 67.8 -87.7 5.9 -42.3 -11.8 23.7 28 76 L F E < +C 36 0C 34 -3,-2.3 2,-0.3 8,-0.2 8,-0.2 -0.923 48.3 169.4-132.2 148.4 -44.8 -9.5 22.0 29 77 L E E +C 35 0C 12 6,-1.9 6,-2.6 -2,-0.3 3,-0.1 -0.878 28.8 91.4-142.3-177.8 -45.0 -6.2 20.1 30 78 L G S > S- 0 0 5 -2,-0.3 3,-1.5 3,-0.2 -8,-0.1 -0.292 85.2 -73.5 111.0 156.7 -47.5 -4.3 18.1 31 79 L R T 3 S+ 0 0 65 1,-0.3 -9,-0.5 -2,-0.1 -1,-0.2 0.901 138.2 25.4 -49.1 -46.8 -50.1 -1.7 18.9 32 80 L N T 3 S- 0 0 36 -3,-0.1 -24,-2.0 -25,-0.1 -1,-0.3 -0.046 115.3-105.5-110.0 23.7 -52.2 -4.3 20.6 33 81 L c S < S+ 0 0 1 -3,-1.5 -3,-0.2 -26,-0.2 -8,-0.1 0.739 82.0 133.7 58.8 22.2 -49.4 -6.7 21.5 34 82 L E + 0 0 51 -6,-0.1 2,-0.5 2,-0.1 -4,-0.2 0.505 38.1 95.7 -82.8 -9.3 -50.7 -8.9 18.6 35 83 L T E -C 29 0C 50 -6,-2.6 -6,-1.9 1,-0.0 2,-0.8 -0.770 67.5-141.1 -96.7 127.0 -47.3 -9.6 17.1 36 84 L H E > -C 28 0C 78 -2,-0.5 3,-0.9 -8,-0.2 -8,-0.2 -0.745 13.8-173.1 -92.0 109.0 -45.5 -12.8 18.0 37 85 L K G > S+ 0 0 56 -10,-2.5 3,-1.1 -2,-0.8 -1,-0.2 0.945 84.5 61.9 -61.0 -47.9 -41.8 -12.3 18.4 38 86 L D G 3 S+ 0 0 144 -11,-0.6 -1,-0.2 1,-0.3 3,-0.2 0.410 101.4 63.1 -52.0 4.6 -41.2 -16.1 18.9 39 87 L D G < S+ 0 0 111 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.086 73.6 74.5-140.2 20.9 -42.5 -16.4 15.5 40 88 L Q < + 0 0 37 -3,-1.1 2,-1.9 2,-0.1 -1,-0.2 -0.272 44.3 152.0-133.8 51.0 -40.6 -14.8 12.7 41 89 L L + 0 0 80 -3,-0.2 21,-0.5 7,-0.1 2,-0.3 -0.605 32.4 133.2 -80.1 78.9 -37.6 -17.1 12.3 42 90 L I > - 0 0 53 -2,-1.9 3,-1.4 3,-0.2 6,-0.9 -0.819 66.1-111.8-129.7 165.6 -37.1 -16.3 8.6 43 91 L d T 3> S+ 0 0 1 1,-0.3 4,-0.7 -2,-0.3 6,-0.1 0.788 113.1 57.0 -77.8 -24.4 -34.0 -15.4 6.6 44 92 L V T 34 S+ 0 0 32 3,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.449 95.5 79.1 -86.3 4.1 -34.8 -11.8 5.8 45 93 L N T X4 S- 0 0 34 -3,-1.4 3,-1.7 1,-0.1 4,-0.3 -0.877 128.3 -41.5-115.0 99.2 -35.0 -11.3 9.6 46 94 L E G >4 S- 0 0 86 -2,-0.6 3,-2.2 1,-0.3 4,-0.2 0.872 108.8 -65.2 49.1 44.8 -31.6 -11.0 11.1 47 95 L N G >< S- 0 0 4 -4,-0.7 3,-1.9 1,-0.3 -1,-0.3 0.727 82.5 -71.4 56.4 22.3 -30.4 -13.8 8.9 48 96 L G G < S- 0 0 1 -3,-1.7 -1,-0.3 -6,-0.9 -2,-0.2 0.658 84.8 -73.9 69.4 8.5 -32.6 -16.4 10.5 49 97 L G G < S+ 0 0 30 -3,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.619 98.1 143.9 78.3 8.8 -30.2 -16.0 13.5 50 98 L e < - 0 0 0 -3,-1.9 -1,-0.3 -4,-0.2 28,-0.2 -0.601 53.8-140.0 -80.9 147.6 -27.6 -17.9 11.4 51 99 L E S S- 0 0 39 26,-2.6 27,-0.2 -2,-0.2 -1,-0.1 0.890 88.5 -10.6 -74.4 -38.0 -23.9 -17.0 11.6 52 100 L Q S S+ 0 0 0 25,-0.6 2,-0.3 13,-0.4 14,-0.2 0.439 121.3 25.1-125.4 -96.1 -23.5 -17.5 7.9 53 101 L Y E -D 65 0D 5 12,-2.1 12,-2.6 -5,-0.0 2,-0.4 -0.587 56.2-160.4 -93.9 138.8 -25.9 -19.0 5.4 54 102 L d E -D 64 0D 6 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.896 6.8-173.5-117.7 131.2 -29.7 -19.2 5.8 55 103 L S E -D 63 0D 33 8,-2.9 8,-2.3 -2,-0.4 2,-0.3 -0.988 12.8-151.2-122.2 122.6 -32.2 -21.5 4.0 56 104 L D E - 0 0 70 -2,-0.5 2,-0.4 6,-0.2 5,-0.1 -0.702 15.9-154.0 -81.8 144.7 -35.9 -21.1 4.5 57 105 L H E > -D 60 0D 89 3,-0.6 3,-1.2 -2,-0.3 2,-0.3 -0.984 21.4-108.5-126.3 127.8 -38.0 -24.2 4.1 58 106 L T T 3 S- 0 0 147 -2,-0.4 3,-0.1 1,-0.2 0, 0.0 -0.366 100.3 -12.6 -38.8 105.9 -41.6 -24.7 3.1 59 107 L G T 3 S+ 0 0 88 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.478 125.1 71.1 84.8 -7.8 -43.5 -25.7 6.2 60 108 L T E < S-D 57 0D 105 -3,-1.2 -3,-0.6 1,-0.0 -1,-0.2 -0.833 91.6 -64.8-137.3 169.2 -40.6 -26.4 8.4 61 109 L K E - 0 0 148 -2,-0.3 -19,-0.1 1,-0.1 2,-0.1 -0.344 52.6-106.8 -55.6 133.3 -37.8 -24.6 10.3 62 110 L R E - 0 0 25 -21,-0.5 2,-0.3 -2,-0.1 -6,-0.2 -0.327 35.5-141.4 -50.6 140.5 -35.2 -22.7 8.4 63 111 L S E -D 55 0D 44 -8,-2.3 -8,-2.9 -3,-0.1 2,-0.3 -0.837 4.5-134.9-108.1 148.0 -31.8 -24.4 8.4 64 112 L e E -D 54 0D 9 12,-0.5 2,-0.3 -2,-0.3 -10,-0.2 -0.762 23.0-177.3 -94.3 151.4 -28.3 -22.7 8.7 65 113 L R E -D 53 0D 79 -12,-2.6 -12,-2.1 -2,-0.3 -13,-0.4 -0.881 13.8-129.3-140.9 173.0 -25.4 -23.6 6.6 66 114 L f - 0 0 25 -2,-0.3 2,-0.2 -14,-0.2 6,-0.1 -0.830 19.3-107.1-126.8 156.8 -21.7 -22.6 6.3 67 115 L H > - 0 0 15 -2,-0.3 3,-1.2 1,-0.1 138,-0.0 -0.519 57.4 -79.1 -68.9 154.1 -19.2 -21.5 3.8 68 116 L E T 3 S+ 0 0 128 1,-0.3 19,-0.4 -2,-0.2 -1,-0.1 -0.213 123.4 41.4 -41.3 138.4 -16.4 -24.0 2.6 69 117 L G T 3 S+ 0 0 19 1,-0.3 13,-3.3 17,-0.1 14,-1.0 0.409 109.9 80.7 90.3 -0.9 -13.7 -24.2 5.2 70 118 L Y E < -E 81 0E 17 -3,-1.2 -1,-0.3 11,-0.3 2,-0.3 -0.951 58.9-161.6-137.5 154.3 -16.4 -24.1 7.9 71 119 L S E -E 80 0E 48 9,-1.9 9,-1.8 -2,-0.3 2,-0.2 -0.958 31.5-100.7-138.4 153.4 -18.8 -26.6 9.4 72 120 L L E -E 79 0E 72 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.478 36.6-132.3 -77.4 138.8 -22.0 -26.1 11.4 73 121 L L > - 0 0 74 5,-2.8 3,-2.1 -2,-0.2 -1,-0.1 -0.333 28.5 -95.1 -86.1 177.4 -21.9 -26.4 15.2 74 122 L A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.871 120.6 64.3 -59.1 -40.1 -24.2 -28.3 17.6 75 123 L D T 3 S- 0 0 96 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.581 105.7-129.7 -63.9 -9.1 -26.3 -25.3 18.3 76 124 L G S < S+ 0 0 25 -3,-2.1 -12,-0.5 2,-0.2 -1,-0.1 0.465 92.2 63.5 76.6 4.4 -27.3 -25.4 14.6 77 125 L V S S+ 0 0 37 -27,-0.1 -26,-2.6 -14,-0.1 -25,-0.6 0.677 83.5 75.1-126.0 -37.9 -26.6 -21.6 13.9 78 126 L S - 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