==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUL-01 1IQL . COMPND 2 MOLECULE: COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.SHIROMIZU,T.MATSUSUE . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13656.0 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 . 80 28.0 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.3 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+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 1 2 0 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 3 2 6 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 16 A I 0 0 0 0, 0.0 2,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 150.6 14.2 31.4 10.1 2 17 A V B -A 179 0A 5 177,-2.3 177,-0.9 1,-0.2 132,-0.2 -0.950 360.0 -27.9-112.5 124.0 12.2 33.9 8.1 3 18 A G S S+ 0 0 37 130,-1.0 2,-0.2 -2,-0.5 -1,-0.2 0.890 94.4 127.4 36.2 84.2 12.9 37.6 8.7 4 19 A G - 0 0 30 -3,-0.2 142,-0.2 142,-0.1 -1,-0.1 -0.808 58.4 -80.5-145.9-173.1 14.2 37.8 12.2 5 20 A Q E -B 145 0B 148 140,-1.5 140,-1.8 -2,-0.2 2,-0.3 -0.288 45.7-103.2 -87.3 179.7 17.2 39.1 14.1 6 21 A E E -B 144 0B 76 138,-0.2 2,-1.0 -2,-0.1 138,-0.3 -0.737 31.6-111.9-101.2 151.1 20.7 37.5 14.4 7 22 A a - 0 0 1 136,-2.7 136,-0.2 -2,-0.3 3,-0.2 -0.761 39.3-153.4 -84.9 102.7 21.7 35.7 17.6 8 23 A K > - 0 0 114 -2,-1.0 3,-2.0 1,-0.2 4,-0.5 -0.161 44.4 -50.5 -69.5 172.3 24.5 37.9 19.0 9 24 A D T 3 S- 0 0 82 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.200 125.4 -1.0 -51.2 115.9 27.3 36.5 21.2 10 25 A G T 3 S+ 0 0 2 -3,-0.2 276,-0.4 -2,-0.1 -1,-0.3 0.562 100.2 106.0 83.6 11.2 25.8 34.5 24.0 11 26 A E S < S+ 0 0 56 -3,-2.0 3,-0.1 1,-0.2 -2,-0.1 0.848 85.5 30.4 -90.7 -39.4 22.1 34.9 23.3 12 27 A a S > S+ 0 0 12 -4,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.446 70.6 145.6-118.0 57.6 21.1 31.5 21.9 13 28 A P T 3 + 0 0 1 0, 0.0 92,-1.5 0, 0.0 42,-0.3 0.571 67.0 62.5 -71.1 -9.3 23.6 29.2 23.8 14 29 A W T 3 S+ 0 0 9 90,-0.2 17,-2.1 -3,-0.1 93,-0.2 0.353 78.0 115.2 -97.1 3.0 21.1 26.4 24.0 15 30 A Q E < -J 30 0C 9 -3,-1.4 40,-0.5 15,-0.2 2,-0.3 -0.348 42.3-176.8 -71.1 155.5 20.8 26.0 20.3 16 31 A A E -JK 29 54C 1 13,-0.9 13,-1.6 38,-0.1 2,-0.4 -0.970 13.2-148.4-151.0 147.6 22.0 22.8 18.7 17 32 A L E -JK 28 53C 5 36,-2.2 36,-3.3 -2,-0.3 2,-0.7 -0.987 10.0-140.3-128.3 124.0 22.3 21.8 15.1 18 33 A L E -JK 27 52C 0 9,-2.5 8,-2.1 -2,-0.4 9,-0.5 -0.742 26.5-157.9 -83.7 117.6 21.9 18.2 13.8 19 34 A I E -JK 25 51C 2 32,-2.6 32,-2.0 -2,-0.7 6,-0.2 -0.742 2.7-140.2-100.2 145.4 24.4 17.8 11.0 20 35 A N > - 0 0 26 4,-2.3 3,-2.5 -2,-0.3 30,-0.1 -0.380 37.5 -87.0 -94.8 177.0 24.3 15.2 8.2 21 36 A E T 3 S+ 0 0 77 28,-0.4 29,-0.1 1,-0.3 -1,-0.0 0.854 130.4 51.6 -51.8 -43.6 27.1 13.1 6.7 22 37 A E T 3 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.332 123.6-110.7 -78.0 10.9 28.0 15.8 4.2 23 38 A N S < S+ 0 0 87 -3,-2.5 2,-0.4 1,-0.2 -2,-0.2 0.806 70.6 143.5 64.7 35.0 28.1 18.0 7.3 24 39 A E - 0 0 112 1,-0.0 -4,-2.3 2,-0.0 -1,-0.2 -0.816 54.7-112.9-104.3 142.5 25.0 20.1 6.4 25 40 A G E +J 19 0C 21 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.484 43.2 159.5 -70.8 142.7 22.5 21.3 9.0 26 41 A F E + 0 0 24 -8,-2.1 157,-0.3 1,-0.5 2,-0.3 0.317 59.8 8.3-148.0 8.7 19.2 19.7 8.6 27 42 A b E -J 18 0C 1 -9,-0.5 -9,-2.5 156,-0.3 -1,-0.5 -0.922 66.2-119.8 179.4 161.4 17.4 20.1 11.9 28 43 A G E -J 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.565 21.6-173.2-110.6 174.8 17.7 21.9 15.3 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-0.9 -2,-0.2 2,-0.4 -0.943 18.7-124.5-157.5 172.9 17.9 20.7 18.9 30 45 A T E -JL 15 38C 1 8,-1.8 8,-3.1 -2,-0.3 2,-0.8 -0.991 21.0-126.0-134.8 128.2 17.9 22.1 22.4 31 46 A I E + L 0 37C 0 -17,-2.1 76,-1.9 -2,-0.4 6,-0.2 -0.587 30.8 170.6 -74.0 109.9 20.5 21.5 25.1 32 47 A L - 0 0 4 4,-2.3 2,-0.3 -2,-0.8 5,-0.2 0.743 67.4 -33.8 -88.6 -27.4 18.7 20.2 28.1 33 48 A S S S- 0 0 38 3,-1.6 -1,-0.3 72,-0.1 74,-0.1 -0.952 82.0 -65.1-175.0-178.1 21.9 19.3 30.0 34 49 A E S S+ 0 0 97 -2,-0.3 64,-0.3 1,-0.2 3,-0.0 0.784 132.7 26.9 -58.7 -27.5 25.5 18.1 29.4 35 50 A F S S+ 0 0 51 62,-0.2 59,-2.6 1,-0.1 2,-0.4 0.641 111.6 73.8-109.2 -17.1 24.4 14.7 28.1 36 51 A Y E - M 0 93C 5 57,-0.2 -4,-2.3 62,-0.1 -3,-1.6 -0.873 46.9-176.7-116.4 136.2 20.9 15.4 26.7 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.6 -2,-0.4 2,-0.5 -0.937 16.8-146.2-118.2 137.0 19.6 17.2 23.6 38 53 A L E +LM 30 91C 0 -8,-3.1 -8,-1.8 -2,-0.4 2,-0.2 -0.923 32.3 148.8-107.7 128.3 15.9 17.7 22.9 39 54 A T E - M 0 90C 0 51,-1.3 51,-3.2 -2,-0.5 2,-0.5 -0.764 49.7 -72.1-141.5-174.0 14.7 17.6 19.2 40 55 A A >> - 0 0 0 -12,-0.4 3,-3.2 49,-0.3 4,-0.5 -0.794 33.4-135.1 -93.6 124.9 11.7 16.7 17.1 41 56 A A G >4 S+ 0 0 0 -2,-0.5 3,-1.5 1,-0.3 4,-0.2 0.840 104.5 57.4 -40.4 -49.6 11.0 13.0 16.7 42 57 A H G >4 S+ 0 0 14 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.606 89.1 74.7 -64.2 -11.5 10.4 13.4 12.9 43 58 A b G X4 S+ 0 0 0 -3,-3.2 3,-2.0 1,-0.2 -1,-0.3 0.842 82.6 69.3 -69.1 -29.7 13.9 14.8 12.5 44 59 A L G << S+ 0 0 28 -3,-1.5 3,-0.5 -4,-0.5 -1,-0.2 0.600 90.2 62.7 -63.6 -11.6 15.3 11.3 12.9 45 60 A Y G < S+ 0 0 104 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.279 89.6 69.9 -98.4 11.2 13.8 10.4 9.5 46 61 A Q S < S+ 0 0 98 -3,-2.0 2,-0.3 1,-0.2 -1,-0.2 0.218 98.5 39.4-112.6 13.7 15.9 12.9 7.5 47 61AA A - 0 0 30 -3,-0.5 3,-0.2 1,-0.1 -1,-0.2 -0.913 59.6-142.6-165.7 136.2 19.4 11.4 7.8 48 62 A K S S- 0 0 171 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.871 96.6 -4.7 -64.0 -40.2 21.1 8.0 7.7 49 63 A R S S+ 0 0 141 2,-0.0 -28,-0.4 -30,-0.0 -1,-0.3 -0.918 78.2 174.5-157.9 126.6 23.6 9.0 10.4 50 64 A F - 0 0 27 -2,-0.3 21,-0.5 -3,-0.2 2,-0.3 -0.829 18.1-147.6-134.0 172.9 24.0 12.4 12.0 51 65 A K E -KN 19 70C 62 -32,-2.0 -32,-2.6 -2,-0.3 2,-0.5 -0.822 22.0-119.1-131.6 169.2 25.9 14.3 14.7 52 66 A V E -KN 18 69C 0 17,-2.1 17,-1.5 -2,-0.3 2,-0.2 -0.959 23.1-162.3-121.0 119.5 25.0 17.2 16.9 53 67 A R E -KN 17 68C 35 -36,-3.3 -36,-2.2 -2,-0.5 2,-0.3 -0.652 9.5-177.7 -97.5 153.8 26.9 20.5 16.8 54 68 A V E +KN 16 67C 3 13,-2.1 13,-1.0 -2,-0.2 -38,-0.1 -0.898 54.3 34.1-142.3 169.5 26.8 23.2 19.5 55 69 A G S S+ 0 0 7 -40,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.890 79.4 132.3 49.1 50.7 28.2 26.7 20.1 56 70 A D + 0 0 19 47,-0.1 -1,-0.2 -3,-0.1 3,-0.1 -0.997 23.1 161.7-134.1 128.5 28.1 27.8 16.5 57 71 A R S S+ 0 0 38 -2,-0.4 86,-2.0 1,-0.3 2,-0.4 0.591 74.1 40.6-118.1 -18.2 26.8 31.1 15.2 58 72 A N B -P 142 0D 10 84,-0.2 2,-1.4 3,-0.2 5,-0.3 -0.968 65.9-154.2-134.5 112.7 28.3 31.3 11.7 59 73 A T S S+ 0 0 50 82,-1.6 3,-0.1 -2,-0.4 83,-0.1 -0.240 91.2 36.6 -86.2 52.9 28.6 28.2 9.6 60 74 A E S S+ 0 0 158 -2,-1.4 2,-0.9 1,-0.2 -1,-0.2 0.259 102.1 64.1-159.6 -48.8 31.6 29.4 7.6 61 75 A Q S S- 0 0 129 1,-0.0 2,-0.5 0, 0.0 -3,-0.2 -0.813 85.1-126.2 -96.7 103.1 34.0 31.4 9.8 62 76 A E - 0 0 151 -2,-0.9 -3,-0.1 -3,-0.1 -6,-0.0 -0.266 39.0-172.3 -50.0 100.8 35.4 29.1 12.5 63 77 A E - 0 0 39 -2,-0.5 3,-0.4 -5,-0.3 -1,-0.1 0.000 34.3 -65.4 -85.9-167.8 34.6 31.0 15.7 64 78 A G S S- 0 0 76 1,-0.2 2,-0.7 -2,-0.0 39,-0.1 0.920 106.9 -2.7 -45.6 -99.1 35.5 30.4 19.3 65 79 A G + 0 0 24 37,-0.2 2,-0.5 2,-0.0 -1,-0.2 -0.612 65.4 154.1-110.8 79.3 34.1 27.2 20.7 66 80 A E - 0 0 27 -2,-0.7 2,-0.4 -3,-0.4 -11,-0.2 -0.859 25.7-164.5 -96.2 127.4 31.8 25.2 18.5 67 81 A A E -N 54 0C 21 -13,-1.0 -13,-2.1 -2,-0.5 2,-0.4 -0.910 10.7-148.3-117.4 145.3 31.9 21.5 19.5 68 82 A V E -N 53 0C 71 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.861 18.3-170.4-107.8 142.8 30.7 18.4 17.6 69 83 A H E -N 52 0C 14 -17,-1.5 -17,-2.1 -2,-0.4 2,-0.4 -0.964 17.1-128.3-135.2 153.7 29.3 15.4 19.4 70 84 A E E -N 51 0C 86 -2,-0.3 25,-2.7 -19,-0.2 2,-0.4 -0.787 27.8-114.1-103.8 143.7 28.3 11.8 18.6 71 85 A V E -O 94 0C 37 -21,-0.5 23,-0.2 -2,-0.4 3,-0.1 -0.598 25.6-178.5 -78.7 122.7 25.0 10.2 19.4 72 86 A E E S- 0 0 106 21,-2.5 2,-0.3 -2,-0.4 22,-0.2 0.939 73.3 -1.7 -81.2 -53.9 25.1 7.4 21.9 73 87 A V E -O 93 0C 57 20,-1.4 20,-2.0 2,-0.0 2,-0.5 -0.992 59.8-143.3-141.8 146.5 21.4 6.6 21.9 74 88 A V E -O 92 0C 72 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.949 12.3-165.5-110.8 124.2 18.3 8.0 20.1 75 89 A I E -O 91 0C 15 16,-2.6 16,-0.7 -2,-0.5 -34,-0.1 -0.749 12.3-179.3-114.5 84.5 15.1 8.0 22.2 76 90 A K - 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