==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-01 1KLJ . COMPND 2 MOLECULE: FACTOR VIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.SICHLER,D.BANNER,A.D'ARCY,K.P.HOPFNER,R.HUBER,W.BODE, . 304 3 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 27.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 4 1.3 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 6.2 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+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 2 0 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 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 . 5 2 3 5 2 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 . 2 0 0 0 0 0 1 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 89 L L 0 0 121 0, 0.0 22,-0.1 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0-175.8 9.8 -7.7 20.8 2 90 L I - 0 0 99 1,-0.2 3,-0.3 20,-0.1 20,-0.1 -0.040 360.0-148.8 -37.1 134.2 7.4 -4.8 21.3 3 91 L a + 0 0 3 1,-0.2 -1,-0.2 4,-0.1 7,-0.1 -0.069 66.4 105.1-110.5 35.1 9.6 -1.8 21.7 4 92 L V + 0 0 56 3,-0.2 2,-0.5 2,-0.1 3,-0.4 0.767 69.4 73.2 -79.6 -31.0 7.6 0.5 24.0 5 93 L N S > S- 0 0 122 -3,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.793 120.3 -11.3 -92.9 127.2 9.8 -0.4 27.1 6 94 L E G > S- 0 0 159 -2,-0.5 3,-1.6 1,-0.3 -1,-0.2 0.724 121.6 -69.2 57.0 24.2 13.4 1.1 27.2 7 95 L N G > S- 0 0 6 -3,-0.4 3,-2.8 1,-0.3 -1,-0.3 0.783 81.2 -76.3 63.8 28.9 12.8 2.2 23.5 8 96 L G G < S- 0 0 15 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.754 82.5 -66.8 55.1 24.7 13.0 -1.5 22.8 9 97 L G G < S+ 0 0 37 -3,-1.6 -1,-0.3 1,-0.3 2,-0.3 0.560 98.5 144.2 75.3 8.1 16.7 -1.2 23.2 10 98 L b < - 0 0 1 -3,-2.8 -1,-0.3 -7,-0.1 28,-0.1 -0.583 52.7-141.3 -82.6 142.7 17.0 1.0 20.1 11 99 L E S S- 0 0 22 26,-2.4 27,-0.1 -2,-0.3 -1,-0.1 0.934 89.1 -8.7 -65.0 -41.9 19.5 3.8 19.9 12 100 L Q S S+ 0 0 0 25,-0.5 2,-0.2 13,-0.5 14,-0.2 0.400 122.0 0.2-120.1-110.8 17.0 6.0 18.1 13 101 L Y E +A 25 0A 8 12,-1.0 12,-5.3 -5,-0.0 -1,-0.4 -0.626 57.2 170.9 -92.4 148.5 13.7 5.0 16.6 14 102 L a E -A 24 0A 10 10,-0.3 2,-0.3 -2,-0.2 10,-0.3 -0.911 12.9-164.5-140.0 172.3 12.0 1.5 16.7 15 103 L S E -A 23 0A 39 8,-0.8 8,-2.3 -2,-0.3 2,-0.5 -0.930 16.1-136.9-158.0 137.3 8.6 0.1 15.9 16 104 L D E -A 22 0A 50 -2,-0.3 6,-0.3 6,-0.2 2,-0.2 -0.912 16.2-163.6-110.0 129.3 7.1 -3.3 16.9 17 105 L H E > -A 21 0A 106 4,-2.5 4,-0.9 -2,-0.5 -15,-0.1 -0.669 53.8 -34.6-103.8 158.3 5.2 -5.6 14.5 18 106 L T T 4 S- 0 0 127 -2,-0.2 2,-0.4 2,-0.1 -16,-0.1 0.035 112.1 -30.6 33.8-109.3 2.9 -8.6 15.3 19 107 L G T 4 S- 0 0 46 -18,-0.1 -1,-0.1 3,-0.0 3,-0.1 -0.983 125.6 -7.8-144.4 127.0 4.4 -10.3 18.4 20 108 L T T 4 S+ 0 0 98 -2,-0.4 2,-0.6 1,-0.2 -2,-0.1 0.236 102.6 114.3 74.0 -10.4 8.0 -10.5 19.5 21 109 L K E < +A 17 0A 145 -4,-0.9 -4,-2.5 2,-0.0 2,-0.3 -0.800 39.7 159.7 -95.2 116.1 9.0 -8.9 16.1 22 110 L R E -A 16 0A 83 -2,-0.6 2,-0.3 -6,-0.3 -6,-0.2 -0.919 23.5-157.9-134.8 162.8 10.6 -5.4 16.4 23 111 L S E -A 15 0A 58 -8,-2.3 -8,-0.8 -2,-0.3 2,-0.2 -0.870 6.0-152.3-151.3 114.8 12.7 -3.1 14.3 24 112 L b E -A 14 0A 7 12,-0.6 -10,-0.3 -2,-0.3 2,-0.2 -0.470 20.7-177.4 -75.9 150.9 15.0 -0.2 15.3 25 113 L R E -A 13 0A 85 -12,-5.3 -12,-1.0 -2,-0.2 -13,-0.5 -0.788 15.7-129.3-138.6-179.7 15.6 2.6 12.8 26 114 L c - 0 0 26 -2,-0.2 4,-0.1 -14,-0.2 3,-0.1 -0.953 25.6-103.4-135.7 157.7 17.6 5.8 12.6 27 115 L H > - 0 0 38 -2,-0.3 3,-1.0 1,-0.2 140,-0.0 -0.347 63.3 -75.0 -69.3 158.3 17.0 9.4 11.7 28 116 L E T 3 S+ 0 0 167 1,-0.3 19,-0.4 13,-0.0 -1,-0.2 -0.147 122.3 45.0 -53.5 154.4 18.2 10.3 8.2 29 117 L G T 3 S+ 0 0 14 1,-0.3 13,-3.0 17,-0.1 14,-0.8 0.437 105.5 87.6 85.4 -2.5 21.9 10.8 7.9 30 118 L Y E < -B 41 0B 16 -3,-1.0 2,-0.4 11,-0.3 -1,-0.3 -0.903 59.6-153.8-128.0 161.6 22.3 7.6 9.9 31 119 L S E -B 40 0B 63 9,-2.2 9,-3.2 -2,-0.3 2,-0.4 -0.973 25.5-114.0-131.7 149.7 22.4 3.8 9.3 32 120 L L E -B 39 0B 70 -2,-0.4 7,-0.3 7,-0.2 -6,-0.1 -0.669 33.3-126.0 -80.5 127.7 21.6 1.0 11.6 33 121 L L > - 0 0 71 5,-3.8 3,-2.0 -2,-0.4 -1,-0.1 -0.180 24.5-108.4 -70.0 167.1 24.5 -1.2 12.6 34 122 L A T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.732 118.1 77.9 -66.7 -18.0 24.5 -5.1 12.1 35 123 L D T 3 S- 0 0 92 1,-0.1 -1,-0.3 3,-0.1 -2,-0.0 0.804 104.7-131.8 -53.6 -40.4 24.1 -4.9 15.8 36 124 L G S < S+ 0 0 22 -3,-2.0 -12,-0.6 2,-0.2 -2,-0.1 0.304 88.7 47.2 100.6 -10.2 20.4 -4.1 15.2 37 125 L V S S+ 0 0 17 -27,-0.1 -26,-2.4 -14,-0.1 -25,-0.5 0.664 85.3 89.0-133.4 -30.6 20.1 -1.1 17.4 38 126 L S - 0 0 17 -28,-0.1 -5,-3.8 -27,-0.1 2,-0.4 -0.456 56.9-148.8 -78.2 146.7 22.9 1.3 16.9 39 127 L c E -B 32 0B 9 -7,-0.3 -7,-0.2 -2,-0.2 -9,-0.0 -0.926 9.3-165.5-114.4 136.3 23.0 4.1 14.4 40 128 L T E -B 31 0B 59 -9,-3.2 -9,-2.2 -2,-0.4 -14,-0.0 -0.970 30.4-102.7-126.3 134.2 26.1 5.2 12.8 41 129 L P E -B 30 0B 55 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.204 28.0-174.8 -50.9 143.9 26.5 8.6 10.9 42 130 L T + 0 0 81 -13,-3.0 2,-0.2 -14,-0.0 -12,-0.2 0.503 68.7 49.0-117.1 -10.8 26.4 8.3 7.0 43 131 L V S S- 0 0 75 -14,-0.8 0, 0.0 1,-0.0 0, 0.0 -0.721 92.5-104.0-121.7 171.5 27.1 12.1 6.3 44 132 L E S S+ 0 0 164 1,-0.2 -1,-0.0 -2,-0.2 116,-0.0 0.786 113.1 30.8 -71.4 -28.3 29.8 14.6 7.6 45 133 L Y S S- 0 0 34 5,-0.0 -1,-0.2 114,-0.0 3,-0.1 -0.504 76.8-171.3-134.1 70.1 27.3 16.4 9.9 46 134 L P > - 0 0 12 0, 0.0 3,-1.5 0, 0.0 -17,-0.1 -0.189 39.2 -90.5 -59.1 145.9 24.6 14.2 11.3 47 135 L d T 3 S+ 0 0 7 -19,-0.4 119,-0.3 1,-0.2 3,-0.1 -0.224 107.7 16.5 -60.8 148.0 21.8 15.9 13.1 48 136 L G T 3 S+ 0 0 1 117,-2.3 208,-1.9 1,-0.2 2,-0.4 0.533 93.3 117.5 70.3 11.8 22.3 16.3 16.8 49 137 L K < - 0 0 19 -3,-1.5 -1,-0.2 116,-0.3 206,-0.1 -0.905 58.1-141.5-110.6 137.9 26.0 15.5 16.8 50 138 L I >> - 0 0 12 -2,-0.4 4,-2.6 1,-0.2 3,-1.8 -0.781 7.9-159.1-104.1 93.7 28.4 18.3 18.1 51 139 L P H 3> S+ 0 0 11 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.799 88.9 54.3 -35.8 -59.2 31.6 18.3 15.9 52 140 L I H 34 S+ 0 0 79 109,-0.6 16,-0.1 15,-0.3 110,-0.1 0.835 120.1 34.2 -51.1 -35.3 33.9 20.2 18.4 53 141 L L H X4 S+ 0 0 65 -3,-1.8 3,-0.6 14,-0.2 -1,-0.2 0.784 118.0 53.8 -85.4 -35.9 33.0 17.5 21.1 54 142 L E H 3< S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.1 0.951 104.8 51.1 -64.0 -53.5 32.7 14.6 18.7 55 143 L K T 3< 0 0 138 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.1 0.466 360.0 360.0 -64.6 1.3 36.1 15.2 17.2 56 144 L R < 0 0 225 -3,-0.6 -2,-0.2 -5,-0.3 -3,-0.2 0.755 360.0 360.0 81.5 360.0 37.1 15.2 20.9 57 !* 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 58 16 H I 0 0 1 0, 0.0 2,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 119.8 18.8 33.1 29.7 59 17 H V B +C 238 0C 9 179,-3.2 179,-2.1 1,-0.2 134,-0.1 -0.848 360.0 8.3-100.2 118.9 18.7 33.8 33.4 60 18 H G S S+ 0 0 47 -2,-0.6 -1,-0.2 132,-0.4 2,-0.1 0.781 102.4 116.6 89.3 26.5 21.1 31.8 35.6 61 19 H G - 0 0 27 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.280 57.7-119.6-112.0-162.3 23.0 30.1 32.8 62 20 H K E -D 204 0D 162 142,-2.1 142,-2.7 -2,-0.1 2,-0.2 -0.854 40.9 -82.9-133.9 167.0 26.5 30.0 31.4 63 21 H V E -D 203 0D 56 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.498 43.2-122.9 -69.1 137.2 28.0 31.0 28.0 64 22 H e - 0 0 4 138,-3.1 138,-0.2 -2,-0.2 5,-0.1 -0.727 35.2-114.2 -79.7 120.2 27.5 28.1 25.4 65 23 H P > - 0 0 59 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.318 44.3 -88.1 -54.8 138.0 31.1 27.5 24.3 66 24 H K T 3 S+ 0 0 65 1,-0.2 50,-0.1 2,-0.1 49,-0.0 -0.201 114.8 18.7 -47.3 125.6 31.4 28.5 20.6 67 25 H G T 3 S+ 0 0 12 48,-0.2 -15,-0.3 95,-0.2 -1,-0.2 0.151 98.6 92.2 101.0 -20.3 30.4 25.4 18.5 68 26 H E S < S+ 0 0 70 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.328 90.4 45.0 -91.4 4.2 28.6 23.4 21.2 69 27 H e S > S+ 0 0 17 -4,-0.2 3,-1.1 -5,-0.1 -1,-0.3 -0.451 71.3 152.6-138.4 54.7 25.2 24.9 20.2 70 28 H P T 3 + 0 0 4 0, 0.0 94,-1.1 0, 0.0 44,-0.4 0.661 68.3 53.8 -65.3 -17.6 25.6 24.6 16.4 71 29 H W T 3 S+ 0 0 11 92,-0.2 16,-1.8 94,-0.1 95,-0.2 0.606 79.5 114.7 -92.6 -11.2 21.9 24.3 15.7 72 30 H Q E < -L 86 0E 4 -3,-1.1 42,-0.4 14,-0.2 43,-0.3 -0.304 51.8-157.2 -60.0 141.1 21.0 27.5 17.5 73 31 H V E -L 85 0E 0 12,-2.7 12,-1.2 40,-0.1 2,-0.5 -0.858 9.9-143.9-118.9 154.7 19.6 30.2 15.2 74 32 H L E -LM 84 112E 7 38,-1.4 38,-1.8 -2,-0.3 2,-0.6 -0.971 12.9-153.5-118.2 118.6 19.4 34.0 15.5 75 33 H L E -LM 83 111E 0 8,-4.6 7,-3.7 -2,-0.5 8,-1.7 -0.836 15.7-175.8 -98.7 128.9 16.4 35.8 14.1 76 34 H L E -LM 81 110E 30 34,-2.4 34,-2.1 -2,-0.6 2,-0.5 -0.914 16.4-160.9-120.6 141.7 16.8 39.4 13.0 77 35 H V E > S-LM 80 109E 2 3,-2.6 3,-3.5 -2,-0.3 32,-0.2 -0.990 86.5 -17.6-121.3 131.5 14.3 42.0 11.7 78 37 H N T 3 S- 0 0 93 30,-0.9 -1,-0.1 -2,-0.5 3,-0.1 0.713 131.1 -52.1 46.3 22.5 15.9 44.9 9.9 79 38 H G T 3 S+ 0 0 63 29,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.297 113.6 122.0 98.4 -8.1 19.2 43.9 11.5 80 39 H A E < S-L 77 0E 48 -3,-3.5 -3,-2.6 1,-0.1 -1,-0.3 -0.684 73.9-102.3 -94.4 144.4 17.7 43.9 14.9 81 40 H Q E +L 76 0E 63 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.380 51.7 157.3 -60.2 130.5 17.7 40.9 17.3 82 41 H L E - 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