==== 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 1IQE . 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) . 13440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 60.5 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 . 76 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 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 . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 8.0 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 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 . 4 4 2 5 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 1 0 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 0.000 360.0 360.0 360.0 117.1 14.2 31.9 10.4 2 17 A V B -A 179 0A 3 177,-2.9 2,-0.7 178,-0.1 177,-0.6 -0.793 360.0 -30.3 -90.7 130.1 12.2 34.3 8.2 3 18 A G S S+ 0 0 37 130,-0.7 175,-0.1 -2,-0.5 142,-0.1 -0.520 101.3 113.5 66.4-108.4 12.7 38.0 8.9 4 19 A G - 0 0 23 -2,-0.7 2,-0.3 173,-0.1 142,-0.2 0.227 68.5 -61.4 40.6-157.6 13.4 37.9 12.7 5 20 A Q E -B 145 0B 126 140,-3.4 140,-4.5 -3,-0.1 2,-0.4 -0.886 38.5-106.5-128.6 158.5 16.7 38.9 14.3 6 21 A E E -B 144 0B 51 -2,-0.3 2,-0.5 138,-0.3 138,-0.2 -0.637 34.4-120.7 -82.8 127.7 20.3 37.8 14.3 7 22 A a - 0 0 1 136,-2.2 136,-0.2 -2,-0.4 3,-0.1 -0.579 35.0-155.1 -67.1 117.3 21.6 36.1 17.5 8 23 A K >> - 0 0 105 -2,-0.5 3,-1.1 1,-0.2 4,-0.6 -0.129 44.2 -46.4 -82.4-173.1 24.3 38.4 18.7 9 24 A D T 34 S- 0 0 93 1,-0.2 -1,-0.2 2,-0.1 94,-0.0 -0.413 125.9 -5.0 -63.6 115.2 27.2 37.2 20.9 10 25 A G T 34 S+ 0 0 2 -2,-0.4 276,-1.4 -3,-0.1 -1,-0.2 0.224 100.8 107.8 90.2 -13.5 25.9 35.0 23.7 11 26 A E T <4 S+ 0 0 63 -3,-1.1 3,-0.2 1,-0.2 -2,-0.1 0.883 83.4 33.9 -66.6 -40.8 22.2 35.4 23.1 12 27 A a >< + 0 0 8 -4,-0.6 3,-2.9 1,-0.2 -1,-0.2 -0.020 67.5 147.1-112.7 38.3 21.3 31.9 21.8 13 28 A P T 3 + 0 0 1 0, 0.0 42,-0.3 0, 0.0 -1,-0.2 0.695 67.9 62.2 -39.6 -38.3 23.7 29.5 23.7 14 29 A W T 3 S+ 0 0 4 -3,-0.2 17,-1.9 92,-0.2 93,-0.2 0.696 79.2 121.5 -68.7 -16.8 21.3 26.6 23.8 15 30 A Q E < -I 30 0C 11 -3,-2.9 40,-0.5 15,-0.2 2,-0.3 -0.009 40.2-175.5 -46.8 147.0 21.3 26.5 20.0 16 31 A A E -I 29 0C 1 13,-1.0 13,-0.7 38,-0.1 2,-0.5 -0.980 11.6-156.0-151.4 135.6 22.4 23.2 18.3 17 32 A L E -IJ 28 53C 3 36,-1.5 36,-3.5 -2,-0.3 2,-0.5 -0.950 8.2-147.7-118.8 128.4 22.9 22.3 14.7 18 33 A L E -IJ 27 52C 0 9,-2.7 8,-1.7 -2,-0.5 9,-1.1 -0.800 21.5-163.6 -91.4 131.9 22.8 18.8 13.2 19 34 A I E -IJ 25 51C 3 32,-2.4 32,-2.1 -2,-0.5 6,-0.2 -0.926 7.4-136.8-120.7 143.6 25.2 18.3 10.3 20 35 A N E >> -IJ 24 50C 10 4,-1.9 3,-4.3 -2,-0.4 4,-0.5 -0.442 43.5 -80.4 -93.0 169.5 25.3 15.6 7.6 21 36 A E T 34 S+ 0 0 103 28,-0.9 29,-0.1 1,-0.3 -1,-0.0 0.778 133.3 55.0 -34.0 -43.8 28.2 13.7 6.1 22 37 A E T 34 S- 0 0 123 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.272 120.8-112.2 -79.0 12.9 28.9 16.7 3.9 23 38 A N T <4 + 0 0 109 -3,-4.3 2,-0.4 1,-0.2 -2,-0.2 0.893 67.9 151.9 56.3 43.0 29.1 18.8 7.1 24 39 A E E < -I 20 0C 91 -4,-0.5 -4,-1.9 0, 0.0 2,-0.8 -0.882 49.3-122.5-108.9 135.3 25.8 20.6 6.0 25 40 A G E +I 19 0C 12 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.662 46.4 149.7 -79.6 111.1 23.4 22.1 8.5 26 41 A F E + 0 0 24 -8,-1.7 2,-0.3 -2,-0.8 157,-0.2 0.701 58.9 25.1-111.4 -30.8 20.0 20.5 8.0 27 42 A b E -I 18 0C 4 -9,-1.1 -9,-2.7 157,-0.1 -1,-0.2 -0.930 64.0-131.4-136.7 161.6 18.3 20.6 11.4 28 43 A G E -I 17 0C 0 157,-2.8 12,-0.3 -2,-0.3 2,-0.3 -0.270 22.4-178.5 -96.8-173.0 18.3 22.4 14.7 29 44 A G E -I 16 0C 0 -13,-0.7 -13,-1.0 10,-0.1 2,-0.4 -0.952 22.0-119.1-176.1 166.2 18.4 21.1 18.2 30 45 A T E -IK 15 38C 0 8,-3.6 8,-4.1 -2,-0.3 2,-0.5 -0.985 20.9-128.2-127.0 134.7 18.3 22.2 21.8 31 46 A I E + K 0 37C 0 -17,-1.9 76,-2.3 -2,-0.4 6,-0.2 -0.672 31.3 166.9 -80.3 121.8 21.0 21.7 24.4 32 47 A L - 0 0 17 4,-2.5 -1,-0.2 -2,-0.5 5,-0.2 0.829 64.6 -32.0-100.0 -47.8 19.6 20.1 27.6 33 48 A S S S- 0 0 40 3,-1.2 -1,-0.1 73,-0.1 65,-0.1 -0.425 87.2 -57.0-143.3-142.5 22.7 19.1 29.4 34 49 A E S S+ 0 0 87 1,-0.2 64,-2.9 -2,-0.1 62,-0.1 0.893 130.7 16.7 -82.1 -44.5 26.3 17.8 28.7 35 50 A F S S+ 0 0 53 62,-0.2 59,-1.4 58,-0.1 2,-0.4 0.002 109.4 91.5-118.1 29.4 25.5 14.7 26.6 36 51 A Y E - L 0 93C 21 57,-0.2 -4,-2.5 62,-0.0 -3,-1.2 -0.947 44.8-178.6-134.7 119.6 21.8 15.4 25.7 37 52 A I E -KL 31 92C 0 55,-2.9 55,-3.8 -2,-0.4 2,-0.4 -0.931 17.0-146.1-114.3 133.9 20.4 17.2 22.7 38 53 A L E +KL 30 91C 0 -8,-4.1 -8,-3.6 -2,-0.4 2,-0.3 -0.839 33.6 152.4 -96.4 132.2 16.7 17.8 22.1 39 54 A T E - L 0 90C 0 51,-2.6 51,-2.9 -2,-0.4 147,-0.1 -0.922 47.5 -76.5-149.6 172.8 15.6 17.7 18.5 40 55 A A - 0 0 0 -12,-0.3 49,-0.2 -2,-0.3 48,-0.1 -0.251 34.4-129.8 -69.3 163.0 12.5 16.9 16.3 41 56 A A S > S+ 0 0 0 1,-0.2 3,-0.7 2,-0.1 -1,-0.1 0.765 107.6 53.6 -85.7 -27.3 11.6 13.3 15.8 42 57 A H G >> S+ 0 0 17 1,-0.2 3,-1.6 2,-0.1 4,-0.8 0.744 90.6 74.4 -77.8 -25.6 11.4 13.7 12.0 43 58 A b G 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.594 82.8 72.2 -63.7 -8.3 14.9 15.2 11.8 44 59 A L G <4 S+ 0 0 32 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.173 98.0 48.1 -90.9 17.7 16.1 11.7 12.4 45 60 A Y T <4 S+ 0 0 113 -3,-1.6 -2,-0.2 0, 0.0 -1,-0.2 0.577 88.7 80.2-122.3 -31.4 14.9 10.9 8.8 46 61 A Q S < S+ 0 0 130 -4,-0.8 2,-0.3 2,-0.0 -2,-0.1 0.312 102.9 21.4 -64.4 8.2 16.5 13.8 7.0 47 61AA A - 0 0 28 1,-0.1 3,-0.1 -27,-0.1 -27,-0.0 -0.991 58.9-135.8-168.0 167.5 19.9 12.1 7.0 48 62 A K S S+ 0 0 189 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.820 95.2 8.0 -96.4 -44.0 21.8 8.8 7.2 49 63 A R S S+ 0 0 130 2,-0.0 -28,-0.9 0, 0.0 -1,-0.4 -0.991 74.9 171.2-143.7 129.8 24.6 9.8 9.5 50 64 A F E -J 20 0C 31 -2,-0.3 21,-0.5 -30,-0.2 2,-0.2 -0.980 20.6-157.2-144.9 156.3 24.9 13.1 11.5 51 65 A K E -J 19 0C 46 -32,-2.1 -32,-2.4 -2,-0.3 2,-0.4 -0.651 24.6-124.6-116.3 175.1 26.9 15.0 14.1 52 66 A V E -JM 18 69C 0 17,-2.6 17,-2.7 -34,-0.2 -34,-0.2 -0.995 20.4-152.1-128.5 131.3 25.7 17.9 16.2 53 67 A R E -JM 17 68C 33 -36,-3.5 -36,-1.5 -2,-0.4 2,-0.3 -0.666 9.0-161.2-100.0 158.9 27.6 21.2 16.3 54 68 A V E + M 0 67C 2 13,-2.1 13,-0.7 -2,-0.2 -38,-0.1 -0.986 61.3 18.3-141.5 150.5 27.8 23.7 19.2 55 69 A G S S+ 0 0 5 -40,-0.5 2,-0.5 48,-0.4 -1,-0.1 0.873 81.3 138.2 61.4 40.9 28.7 27.3 19.7 56 70 A D + 0 0 9 47,-0.1 -1,-0.2 -3,-0.1 3,-0.1 -0.972 22.7 163.2-121.4 127.1 28.4 28.2 16.0 57 71 A R S S+ 0 0 52 -2,-0.5 86,-1.6 1,-0.3 2,-0.3 0.379 72.5 48.8-117.2 -2.0 26.8 31.4 14.7 58 72 A N B -O 142 0D 5 84,-0.2 5,-0.3 3,-0.2 -1,-0.3 -0.934 64.4-153.8-144.8 116.7 28.3 31.4 11.2 59 73 A T S S+ 0 0 50 82,-1.5 83,-0.1 -2,-0.3 3,-0.1 0.302 95.9 27.8 -73.5 9.3 28.2 28.4 8.9 60 74 A E S S+ 0 0 137 1,-0.3 2,-0.4 81,-0.1 -1,-0.2 0.579 103.5 73.1-131.9 -52.2 31.3 29.5 7.0 61 75 A Q S S- 0 0 87 1,-0.1 2,-1.8 2,-0.1 -1,-0.3 -0.607 74.4-136.0 -76.8 122.0 33.5 31.6 9.2 62 76 A E - 0 0 129 -2,-0.4 2,-1.5 1,-0.1 -1,-0.1 -0.576 21.3-173.4 -80.1 81.1 35.4 29.6 11.8 63 77 A E - 0 0 74 -2,-1.8 2,-3.4 -5,-0.3 -1,-0.1 0.011 40.2-117.6 -68.3 32.6 34.9 31.9 14.8 64 78 A G S S+ 0 0 57 -2,-1.5 -1,-0.2 1,-0.2 2,-0.1 -0.184 101.2 79.5 63.8 -53.3 37.2 29.8 16.9 65 79 A G + 0 0 28 -2,-3.4 -1,-0.2 2,-0.0 2,-0.1 0.120 66.4 113.1 -76.7 23.1 34.5 28.8 19.5 66 80 A E + 0 0 25 -2,-0.1 2,-0.2 -13,-0.0 -11,-0.2 -0.328 40.2 179.5 -85.2 173.6 32.8 26.1 17.4 67 81 A A E -M 54 0C 30 -13,-0.7 -13,-2.1 -2,-0.1 2,-0.4 -0.797 17.5-140.4-176.8 134.5 32.9 22.4 18.3 68 82 A V E -M 53 0C 80 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.2 -0.822 13.6-169.6-107.8 140.9 31.5 19.1 16.9 69 83 A H E -M 52 0C 14 -17,-2.7 -17,-2.6 -2,-0.4 2,-0.2 -0.972 15.8-133.8-128.3 140.7 30.1 16.1 18.8 70 84 A E - 0 0 100 -2,-0.4 25,-2.2 -19,-0.2 2,-0.5 -0.527 25.5-111.5 -89.6 157.8 29.2 12.6 17.6 71 85 A V E -N 94 0C 41 -21,-0.5 23,-0.2 23,-0.2 3,-0.1 -0.799 27.4-178.5 -93.5 126.2 26.0 10.8 18.4 72 86 A E E S- 0 0 99 21,-2.5 2,-0.3 -2,-0.5 22,-0.2 0.742 70.8 -3.5 -92.9 -28.2 26.3 7.9 20.8 73 87 A V E -N 93 0C 64 20,-1.3 20,-1.9 2,-0.0 2,-0.5 -0.971 62.2-138.1-162.6 149.9 22.6 6.8 20.8 74 88 A V E -N 92 0C 75 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.968 7.5-166.9-122.8 123.8 19.3 8.1 19.3 75 89 A I E +N 91 0C 29 16,-2.2 16,-2.4 -2,-0.5 2,-0.4 -0.852 15.5 179.0-108.1 93.0 16.0 8.1 21.3 76 90 A K E -N 90 0C 63 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.789 37.9-102.4 -96.5 139.6 13.2 8.7 18.8 77 91 A H > - 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