==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, HYDROLASE INHIBITOR 21-OCT-09 3KCG . COMPND 2 MOLECULE: COAGULATION FACTOR IXA LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.HUNTINGTON,D.J.D.JOHNSON . 708 4 10 7 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 53 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 2 0 2 0 2 1 1 0 0 0 1 0 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 1 0 0 0 0 1 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 3 8 1 5 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 1 0 1 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 84 L M 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-161.0 33.0 5.7 -107.8 2 85 L D + 0 0 108 21,-0.0 2,-0.3 5,-0.0 21,-0.0 -0.187 360.0 18.8 170.8 -62.5 31.3 9.0 -108.6 3 86 L V S S+ 0 0 48 20,-0.1 2,-0.3 3,-0.0 20,-0.1 -0.834 73.5 132.3-140.6 100.7 27.8 9.3 -107.2 4 87 L T > - 0 0 27 -2,-0.3 3,-2.0 3,-0.2 6,-0.9 -0.937 66.4-109.4-140.6 159.1 26.7 7.0 -104.4 5 88 L a T 3> S+ 0 0 23 -2,-0.3 4,-0.5 1,-0.3 6,-0.1 0.686 114.1 72.1 -63.7 -14.1 24.9 7.6 -101.1 6 89 L N T 34 S+ 0 0 148 3,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.531 87.6 65.0 -80.6 -7.0 28.3 6.8 -99.6 7 90 L I T X4 S- 0 0 68 -3,-2.0 3,-1.7 1,-0.1 4,-0.3 -0.949 131.7 -28.3-122.6 112.5 29.9 10.1 -100.7 8 91 L K G >4 S- 0 0 160 -2,-0.6 3,-2.3 1,-0.3 -2,-0.1 0.809 111.3 -72.9 55.1 31.1 28.4 13.2 -99.1 9 92 L N G >< S- 0 0 44 -4,-0.5 3,-2.6 1,-0.3 -1,-0.3 0.841 83.7 -65.0 54.1 38.0 25.2 11.4 -98.8 10 93 L G G < S- 0 0 1 -3,-1.7 -1,-0.3 -6,-0.9 -2,-0.2 0.712 86.3 -74.2 59.8 18.1 24.6 11.6 -102.5 11 94 L R G < S+ 0 0 146 -3,-2.3 2,-0.3 -4,-0.3 -1,-0.3 0.543 95.2 149.8 71.0 7.5 24.4 15.3 -101.9 12 95 L b < - 0 0 8 -3,-2.6 -1,-0.3 1,-0.1 28,-0.2 -0.565 47.4-144.8 -74.2 130.0 21.0 14.6 -100.4 13 96 L E S S- 0 0 37 26,-3.0 -1,-0.1 -2,-0.3 27,-0.1 0.900 88.5 -3.9 -61.5 -40.4 20.0 17.1 -97.6 14 97 L Q S S+ 0 0 2 25,-0.5 2,-0.3 13,-0.3 14,-0.2 0.628 124.9 15.6-116.1 -87.3 18.2 14.3 -95.8 15 98 L F E -A 27 0A 22 12,-2.5 12,-2.1 -5,-0.0 2,-0.3 -0.772 55.2-170.8-105.6 145.4 17.8 10.7 -97.1 16 99 L a E -A 26 0A 8 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.951 6.4-175.9-131.3 146.9 19.6 8.9 -99.9 17 100 L K E -A 25 0A 75 8,-1.0 8,-2.8 -2,-0.3 2,-0.4 -0.984 31.4-115.1-143.3 129.4 19.1 5.6 -101.8 18 101 L N E -A 24 0A 104 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.490 29.8-169.8 -70.8 122.4 21.3 4.2 -104.5 19 102 L S - 0 0 46 4,-2.4 4,-0.5 -2,-0.4 2,-0.3 -0.363 37.7 -79.1 -94.8-178.2 19.7 3.8 -107.9 20 103 L A S S+ 0 0 87 1,-0.2 -1,-0.1 -2,-0.1 4,-0.0 -0.636 101.4 20.8 -91.4 146.3 21.5 1.9 -110.7 21 104 L D S S- 0 0 93 -2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.972 131.5 -42.8 68.1 62.2 24.3 3.2 -112.8 22 105 L N S S+ 0 0 87 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.904 107.8 112.8 55.9 50.7 25.9 6.1 -110.8 23 106 L K - 0 0 90 -4,-0.5 -4,-2.4 -20,-0.1 2,-0.3 -0.988 45.3-157.6-147.9 153.7 22.7 7.8 -109.6 24 107 L V E -A 18 0A 24 -2,-0.3 2,-0.6 -6,-0.2 -6,-0.2 -0.935 13.3-137.9-132.7 156.4 20.9 8.3 -106.3 25 108 L V E -A 17 0A 84 -8,-2.8 -8,-1.0 -2,-0.3 2,-0.1 -0.958 21.5-156.5-117.4 112.5 17.4 9.1 -105.2 26 109 L b E +A 16 0A 7 -2,-0.6 2,-0.3 12,-0.4 -10,-0.2 -0.469 15.9 174.4 -83.6 159.1 17.0 11.7 -102.5 27 110 L S E -A 15 0A 50 -12,-2.1 -12,-2.5 12,-0.2 -13,-0.3 -0.972 16.7-139.5-157.8 164.5 14.0 11.9 -100.2 28 111 L c - 0 0 29 -2,-0.3 3,-0.1 -14,-0.2 2,-0.1 -0.776 24.8 -99.4-126.8 171.1 12.8 13.8 -97.2 29 112 L T > - 0 0 11 -2,-0.2 3,-1.7 1,-0.2 137,-0.1 -0.377 62.8 -61.0 -84.9 168.2 10.9 13.1 -93.9 30 113 L E T 3 S+ 0 0 123 1,-0.3 19,-0.5 135,-0.2 -1,-0.2 -0.139 124.3 31.4 -49.4 138.5 7.2 13.7 -93.4 31 114 L G T 3 S+ 0 0 22 1,-0.3 13,-3.1 17,-0.1 14,-0.8 0.343 106.3 91.4 93.2 -6.5 6.2 17.4 -93.8 32 115 L Y E < -B 43 0B 21 -3,-1.7 2,-0.4 11,-0.2 -1,-0.3 -0.816 56.9-155.5-120.7 160.6 8.9 18.0 -96.4 33 116 L R E -B 42 0B 49 9,-2.2 9,-2.3 -2,-0.3 2,-0.3 -0.997 34.4-100.0-136.3 139.3 9.1 17.9 -100.2 34 117 L L E -B 41 0B 52 -2,-0.4 7,-0.2 7,-0.2 4,-0.1 -0.416 47.3-127.4 -60.5 120.2 12.2 17.4 -102.4 35 118 L A > - 0 0 27 5,-3.2 3,-1.9 -2,-0.3 -1,-0.1 0.066 30.2 -88.0 -61.3 176.4 13.2 20.8 -103.6 36 119 L E T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.853 124.8 64.1 -56.1 -37.9 13.7 21.8 -107.2 37 120 L N T 3 S- 0 0 90 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.461 103.1-129.9 -68.5 -0.2 17.4 20.7 -107.0 38 121 L Q S < S+ 0 0 124 -3,-1.9 -12,-0.4 1,-0.1 -2,-0.1 0.658 98.1 66.8 59.4 14.2 16.3 17.1 -106.4 39 122 L K S S+ 0 0 55 -27,-0.1 -26,-3.0 -14,-0.1 -25,-0.5 0.606 84.1 70.1-129.3 -39.8 18.7 17.2 -103.4 40 123 L S - 0 0 38 -28,-0.2 -5,-3.2 -27,-0.1 2,-0.4 -0.382 67.7-133.1 -86.2 163.1 17.3 19.7 -100.9 41 124 L c E -B 34 0B 8 -7,-0.2 -7,-0.2 -2,-0.1 -9,-0.0 -0.964 21.5-174.2-119.2 131.2 14.3 19.5 -98.6 42 125 L E E -B 33 0B 41 -9,-2.3 -9,-2.2 -2,-0.4 -14,-0.0 -0.946 36.1 -88.1-126.9 147.2 11.7 22.3 -98.2 43 126 L P E +B 32 0B 69 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.202 34.2 179.2 -52.0 132.2 8.7 22.7 -95.9 44 127 L A + 0 0 63 -13,-3.1 -12,-0.2 -14,-0.0 -13,-0.1 0.372 68.8 44.2-114.1 -2.6 5.5 21.2 -97.3 45 128 L V S S- 0 0 66 -14,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.898 92.8-102.2-137.0 164.6 3.3 22.2 -94.3 46 129 L P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 111,-0.0 0.877 116.0 19.3 -55.6 -42.7 2.9 25.2 -92.0 47 130 L F S S- 0 0 64 -3,-0.0 3,-0.1 109,-0.0 110,-0.1 -0.624 80.9-169.3-134.1 77.8 5.0 23.7 -89.2 48 131 L P > - 0 0 13 0, 0.0 3,-0.9 0, 0.0 -17,-0.1 -0.265 35.4 -88.2 -64.4 150.2 7.2 20.8 -90.4 49 132 L d T 3 S+ 0 0 15 -19,-0.5 114,-0.3 1,-0.2 -20,-0.1 -0.072 102.0 19.3 -58.2 158.3 8.9 18.6 -87.8 50 133 L G T 3 S+ 0 0 1 112,-2.7 202,-2.9 201,-0.1 2,-0.4 0.548 94.4 116.0 60.4 15.5 12.3 19.4 -86.3 51 134 L R < - 0 0 57 -3,-0.9 2,-0.4 111,-0.3 -1,-0.1 -0.943 57.9-137.9-125.0 140.4 12.4 23.1 -87.2 52 135 L V + 0 0 80 -2,-0.4 14,-0.1 198,-0.4 107,-0.1 -0.715 26.0 167.6 -85.6 134.3 12.5 26.3 -85.1 53 136 L S 0 0 60 105,-0.5 105,-0.1 -2,-0.4 -1,-0.1 0.331 360.0 360.0-131.4 5.5 10.3 29.0 -86.5 54 137 L V 0 0 94 11,-0.4 11,-0.0 104,-0.3 -2,-0.0 -0.364 360.0 360.0 -75.9 360.0 10.1 31.6 -83.8 55 !* 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 56 16 H V 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.0 20.1 19.5 -66.8 57 17 H V B +C 234 0C 16 177,-2.8 177,-1.6 1,-0.2 132,-0.1 -0.820 360.0 2.7 -97.4 133.0 23.3 20.3 -64.9 58 18 H G S S+ 0 0 43 130,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.743 101.4 120.9 67.5 22.4 25.7 22.9 -66.4 59 19 H G - 0 0 10 -3,-0.4 2,-0.3 175,-0.1 142,-0.2 -0.137 56.4-113.3 -97.8-158.2 23.4 23.6 -69.4 60 20 H E E -D 200 0D 132 140,-2.1 140,-2.0 -2,-0.1 2,-0.2 -0.897 31.1 -81.8-137.5 165.2 21.9 26.9 -70.4 61 21 H D E -D 199 0D 97 -2,-0.3 138,-0.2 138,-0.2 2,-0.1 -0.478 42.0-138.8 -66.0 129.3 18.6 28.6 -70.7 62 22 H A - 0 0 5 136,-3.0 136,-0.1 -2,-0.2 -1,-0.0 -0.448 20.0-119.9 -80.4 164.6 16.7 27.8 -73.9 63 23 H K > - 0 0 103 -2,-0.1 3,-2.3 1,-0.1 4,-0.4 -0.730 44.0 -78.7-100.6 157.2 15.0 30.6 -75.7 64 24 H P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.317 119.5 11.5 -56.3 132.9 11.2 30.5 -76.2 65 25 H G T 3 S+ 0 0 12 45,-0.2 -11,-0.4 94,-0.2 -12,-0.3 0.494 90.8 118.8 79.1 3.6 10.5 28.2 -79.2 66 26 H Q S < S+ 0 0 45 -3,-2.3 3,-0.1 1,-0.3 -14,-0.1 0.831 88.6 23.1 -71.9 -31.7 14.0 26.8 -79.4 67 27 H F S > S+ 0 0 12 -4,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.609 73.4 169.3-132.8 70.6 12.9 23.2 -78.7 68 28 H P T 3 S+ 0 0 3 0, 0.0 93,-1.6 0, 0.0 41,-0.3 0.577 74.0 60.6 -61.4 -11.9 9.2 23.3 -79.8 69 29 H W T 3 S+ 0 0 3 91,-0.2 16,-2.1 93,-0.1 2,-0.2 0.573 82.2 104.7 -90.0 -13.3 9.0 19.5 -79.6 70 30 H Q E < +M 84 0E 3 -3,-1.9 39,-0.5 14,-0.2 40,-0.5 -0.502 46.7 177.4 -73.0 133.7 9.9 19.4 -75.9 71 31 H V E -MN 83 108E 0 12,-2.2 12,-1.5 -2,-0.2 2,-0.4 -0.893 20.7-135.2-129.0 162.0 7.0 18.8 -73.4 72 32 H V E -MN 82 107E 1 35,-1.8 35,-2.1 -2,-0.3 2,-0.5 -0.910 13.1-139.6-116.8 147.4 6.9 18.5 -69.7 73 33 H L E -MN 81 106E 0 8,-2.5 7,-1.4 -2,-0.4 8,-0.9 -0.934 17.0-168.4-108.7 130.3 5.0 15.8 -67.8 74 34 H N E + N 0 105E 27 31,-2.6 31,-2.4 -2,-0.5 4,-0.2 -0.940 22.6 136.7-118.5 138.3 3.2 16.7 -64.6 75 35 H G S S- 0 0 33 2,-2.3 29,-0.1 -2,-0.4 4,-0.0 -0.343 79.1 -26.1-144.4-132.9 1.7 14.3 -62.1 76 36 H K S S+ 0 0 167 27,-0.2 2,-0.4 -2,-0.1 28,-0.0 0.731 143.4 35.3 -64.1 -20.0 1.6 14.0 -58.3 77 38 H V S > S- 0 0 17 0, 0.0 -2,-2.3 0, 0.0 3,-0.6 -0.982 98.6-116.5-130.4 139.7 4.8 16.0 -58.6 78 39 H D T 3 S+ 0 0 115 -2,-0.4 -4,-0.2 -4,-0.2 -2,-0.0 -0.485 90.0 7.8 -79.4 151.0 5.3 18.6 -61.3 79 40 H A T 3 S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.1 -5,-0.2 0.871 74.7 151.0 48.6 48.9 7.9 18.3 -64.1 80 41 H F < - 0 0 5 -7,-1.4 595,-2.9 -3,-0.6 158,-0.4 0.675 69.2 -2.2 -81.8 -16.5 8.8 14.7 -63.0 81 42 H e E -M 73 0E 2 -8,-0.9 -8,-2.5 593,-0.2 160,-0.2 -0.958 68.0-128.8-160.1 169.9 9.8 13.8 -66.6 82 43 H G E -M 72 0E 2 158,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.588 20.2-175.2-117.9-176.9 10.0 15.2 -70.1 83 44 H G E -M 71 0E 0 -12,-1.5 -12,-2.2 -2,-0.2 2,-0.4 -0.954 19.2-119.6-165.5 175.9 8.8 14.0 -73.5 84 45 H S E -MO 70 92E 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.4 -0.992 26.9-114.2-133.1 141.2 8.8 14.8 -77.2 85 46 H I E + O 0 91E 0 -16,-2.1 78,-2.6 -2,-0.4 6,-0.2 -0.595 29.3 175.2 -75.0 122.4 6.0 15.5 -79.6 86 47 H V E S- 0 0 20 4,-2.9 2,-0.3 -2,-0.4 -1,-0.2 0.831 70.7 -36.0 -90.0 -45.0 5.7 12.8 -82.3 87 48 H N E > S- O 0 90E 20 3,-1.4 3,-0.8 75,-0.1 -1,-0.4 -0.904 82.8 -63.4-160.5-173.8 2.5 14.3 -83.8 88 49 H E T 3 S+ 0 0 70 -2,-0.3 66,-2.6 1,-0.2 3,-0.0 0.747 132.5 30.6 -54.9 -26.2 -0.6 16.2 -82.7 89 50 H K T 3 S+ 0 0 42 64,-0.2 61,-2.5 198,-0.2 2,-0.4 0.464 111.3 67.7-113.6 -3.0 -1.9 13.2 -80.7 90 51 H W E < -OP 87 149E 10 -3,-0.8 -4,-2.9 59,-0.2 -3,-1.4 -0.966 46.9-171.5-135.1 141.0 1.3 11.5 -79.4 91 52 H I E -OP 85 148E 0 57,-2.4 57,-2.8 -2,-0.4 2,-0.4 -0.939 14.4-148.6-119.9 138.8 4.2 12.0 -77.1 92 53 H V E +OP 84 147E 0 -8,-2.6 -8,-2.1 -2,-0.4 55,-0.2 -0.918 33.7 144.2-109.0 136.5 7.3 9.8 -76.8 93 54 H T E - 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