==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-02 1LPZ . COMPND 2 MOLECULE: BLOOD COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.A.SCHREUDER,V.BRACHVOGEL,A.LIESUM . 287 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.3 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 . 84 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 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 . 21 7.3 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 . 20 7.0 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 0 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 . 5 3 2 3 4 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 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 1AA R 0 0 251 0, 0.0 5,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 95.5 42.1 -5.0 37.0 2 1BA K - 0 0 145 19,-0.0 4,-0.2 4,-0.0 7,-0.1 0.738 360.0 -10.4-102.3 -96.6 45.4 -4.0 35.4 3 1CA L S > S+ 0 0 29 2,-0.1 3,-3.1 1,-0.1 6,-0.7 0.752 135.4 1.8 -75.8-109.3 46.0 -1.0 33.3 4 1 A a T 3> S+ 0 0 21 1,-0.3 4,-0.6 4,-0.2 6,-0.1 0.677 130.8 63.2 -55.0 -17.0 43.0 1.0 32.1 5 2 A S T 34 S+ 0 0 83 3,-0.2 2,-0.9 2,-0.1 -1,-0.3 0.658 88.7 75.0 -81.2 -20.3 40.9 -1.5 34.1 6 3 A L T X4 S- 0 0 99 -3,-3.1 3,-2.0 1,-0.2 4,-0.2 -0.841 132.1 -37.9 -96.3 99.3 42.4 -0.4 37.3 7 4 A D G >4 S- 0 0 109 -2,-0.9 3,-2.2 1,-0.3 -1,-0.2 0.870 109.1 -63.5 53.9 43.7 40.9 3.0 38.1 8 5 A N G >< S- 0 0 9 -4,-0.6 3,-1.2 1,-0.3 -1,-0.3 0.651 87.0 -73.7 57.7 17.8 40.8 4.1 34.4 9 6 A G G < S- 0 0 17 -3,-2.0 -1,-0.3 -6,-0.7 -2,-0.2 0.557 80.7 -72.4 73.8 10.7 44.6 3.9 34.4 10 7 A D G < S+ 0 0 85 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.484 97.6 140.8 78.9 6.5 44.7 7.1 36.5 11 8 A b < - 0 0 0 -3,-1.2 -1,-0.3 2,-0.1 27,-0.2 -0.403 55.4-140.4 -76.2 158.4 43.6 9.1 33.4 12 9 A D S S- 0 0 54 25,-1.9 26,-0.1 2,-0.2 -1,-0.1 0.885 86.8 -10.6 -82.8 -41.3 41.1 12.0 33.6 13 10 A Q S S+ 0 0 4 24,-0.5 13,-0.2 12,-0.3 -2,-0.1 0.126 118.5 27.1-122.3-119.8 39.5 10.9 30.4 14 11 A F - 0 0 8 11,-0.5 11,-1.4 10,-0.1 2,-0.4 -0.157 58.7-168.0 -55.9 135.7 40.3 8.5 27.7 15 12 A a E +A 24 0A 12 9,-0.2 2,-0.3 -4,-0.1 9,-0.2 -0.981 9.3 172.9-129.7 133.8 42.4 5.5 28.6 16 13 A H E -A 23 0A 92 7,-1.3 7,-1.4 -2,-0.4 2,-1.0 -0.966 30.7-135.0-144.9 130.7 44.1 3.0 26.2 17 14 A E E -A 22 0A 84 -2,-0.3 2,-1.1 5,-0.2 5,-0.2 -0.725 25.0-165.3 -83.7 98.7 46.5 0.2 26.8 18 15 A E S S- 0 0 115 -2,-1.0 -1,-0.0 3,-1.0 -2,-0.0 -0.778 72.4 -34.2 -92.3 94.0 49.1 0.8 24.1 19 16 A Q S S- 0 0 193 -2,-1.1 -1,-0.2 0, 0.0 3,-0.1 0.964 128.3 -39.7 58.4 58.8 51.1 -2.4 23.8 20 17 A N S S+ 0 0 104 -3,-0.2 -2,-0.2 1,-0.2 0, 0.0 0.116 119.9 63.0 68.6 160.8 50.8 -3.0 27.6 21 18 A S S S- 0 0 78 -4,-0.2 -3,-1.0 2,-0.0 2,-0.3 0.250 89.6 -80.1 68.9 155.8 51.1 0.1 29.9 22 19 A V E -A 17 0A 41 -5,-0.2 2,-0.4 -13,-0.1 -5,-0.2 -0.648 33.0-171.7 -95.7 149.9 48.6 3.0 29.8 23 20 A V E -A 16 0A 58 -7,-1.4 -7,-1.3 -2,-0.3 2,-0.2 -0.943 13.3-159.0-140.2 110.8 48.4 6.0 27.5 24 21 A b E +A 15 0A 9 12,-0.7 2,-0.3 -2,-0.4 -9,-0.2 -0.515 14.8 169.5 -88.4 161.1 45.9 8.7 28.4 25 22 A S - 0 0 40 -11,-1.4 -11,-0.5 -2,-0.2 -12,-0.3 -0.937 20.1-127.6-157.8 171.1 44.4 11.3 26.0 26 23 A c - 0 0 26 -2,-0.3 3,-0.1 4,-0.2 6,-0.1 -0.862 22.5 -97.8-131.1 164.1 41.6 13.9 26.1 27 24 A A > - 0 0 6 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 -0.233 63.4 -70.2 -70.3 165.7 38.5 15.0 24.2 28 25 A R T 3 S+ 0 0 152 135,-0.3 19,-0.4 1,-0.3 -1,-0.2 -0.348 124.3 36.6 -61.2 133.1 38.7 17.9 21.7 29 26 A G T 3 S+ 0 0 38 1,-0.5 13,-3.2 -3,-0.1 14,-0.5 0.448 103.5 89.5 103.3 -0.9 39.2 21.2 23.6 30 27 A Y E < -B 41 0B 20 -3,-1.5 -1,-0.5 11,-0.3 2,-0.4 -0.894 60.4-151.7-124.8 158.6 41.5 19.6 26.2 31 28 A T E -B 40 0B 69 9,-2.3 9,-3.4 -2,-0.3 2,-0.1 -0.995 28.8-109.4-133.6 131.9 45.2 19.1 26.3 32 29 A L E -B 39 0B 75 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.440 40.0-121.8 -60.6 130.1 47.0 16.3 28.1 33 30 A A > - 0 0 21 5,-3.0 3,-1.9 -2,-0.1 -1,-0.1 -0.156 30.2 -93.9 -65.7 175.1 48.8 17.7 31.1 34 31 A D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.815 124.0 63.6 -59.4 -37.2 52.5 17.3 31.7 35 32 A N T 3 S- 0 0 102 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.600 108.7-124.0 -66.2 -7.8 51.9 14.2 33.8 36 33 A G S < S+ 0 0 28 -3,-1.9 -12,-0.7 2,-0.1 -2,-0.1 0.697 96.2 68.4 71.4 19.0 50.4 12.5 30.7 37 34 A K S S+ 0 0 80 -26,-0.1 -25,-1.9 -14,-0.1 -24,-0.5 0.643 75.9 72.2-131.1 -54.2 47.2 11.9 32.7 38 35 A A - 0 0 21 -27,-0.2 -5,-3.0 -26,-0.1 2,-0.5 -0.255 68.9-133.0 -69.8 158.6 45.2 15.0 33.5 39 36 A c E -B 32 0B 12 -7,-0.2 -7,-0.2 -3,-0.1 -1,-0.0 -0.979 14.8-157.8-119.4 121.9 43.3 17.0 30.9 40 37 A I E -B 31 0B 79 -9,-3.4 -9,-2.3 -2,-0.5 2,-0.1 -0.888 21.5-119.3-103.0 127.3 43.6 20.7 30.8 41 38 A P E -B 30 0B 61 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.430 13.2-154.3 -64.8 135.9 40.8 22.8 29.1 42 39 A T S S+ 0 0 100 -13,-3.2 -12,-0.1 -2,-0.1 -13,-0.1 0.720 71.4 16.7 -85.3 -18.6 42.0 24.9 26.2 43 40 A G S S- 0 0 38 -14,-0.5 0, 0.0 1,-0.0 0, 0.0 -0.737 87.8 -84.9-141.5-172.4 39.3 27.5 26.5 44 41 A P S S+ 0 0 121 0, 0.0 111,-0.0 0, 0.0 -1,-0.0 0.756 119.0 35.8 -67.1 -37.1 36.6 29.2 28.7 45 42 A Y S S- 0 0 65 6,-0.1 3,-0.1 109,-0.0 6,-0.1 -0.599 78.9-179.0-122.9 68.4 33.8 26.8 27.9 46 43 A P > - 0 0 19 0, 0.0 3,-1.2 0, 0.0 -17,-0.1 -0.345 38.0 -91.0 -65.0 150.6 35.4 23.3 27.5 47 44 A d T 3 S+ 0 0 15 -19,-0.4 114,-0.3 1,-0.2 3,-0.1 -0.171 106.3 22.2 -63.6 150.5 33.0 20.4 26.7 48 45 A G T 3 S+ 0 0 0 112,-2.0 203,-0.9 1,-0.2 2,-0.5 0.466 91.8 123.2 74.0 3.2 31.4 18.4 29.4 49 46 A K < - 0 0 65 -3,-1.2 2,-0.2 111,-0.4 -1,-0.2 -0.829 60.8-131.7-102.9 127.2 31.8 21.1 32.0 50 47 A Q - 0 0 68 -2,-0.5 2,-0.5 199,-0.3 15,-0.2 -0.576 34.8-110.6 -70.1 141.6 28.7 22.5 33.8 51 48 A T + 0 0 11 13,-1.5 -1,-0.1 -2,-0.2 15,-0.1 -0.684 37.1 174.0 -84.6 121.0 28.8 26.3 33.7 52 49 A L 0 0 162 -2,-0.5 -1,-0.1 1,-0.3 104,-0.1 0.401 360.0 360.0 -99.2 -4.9 29.4 28.2 37.0 53 50 A E 0 0 166 11,-0.1 -1,-0.3 102,-0.0 104,-0.1 -0.946 360.0 360.0-173.0 360.0 29.6 31.5 35.2 54 !* 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 55 16 B I 0 0 0 0, 0.0 2,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 114.5 10.8 13.9 32.2 56 17 B V B -C 233 0C 7 177,-3.5 177,-1.6 142,-0.1 132,-0.1 -0.769 360.0 -15.0 -89.0 129.9 8.7 12.0 34.8 57 18 B G S S+ 0 0 26 130,-0.5 175,-0.1 -2,-0.5 142,-0.1 -0.356 94.1 102.0 73.7-155.3 10.2 12.4 38.2 58 19 B G S S- 0 0 19 143,-0.1 2,-0.3 140,-0.1 142,-0.2 -0.305 73.9 -76.4 75.9-164.6 13.7 13.7 38.4 59 20 B Q E -D 199 0D 143 140,-2.4 140,-3.2 -2,-0.0 2,-0.2 -0.886 43.0 -96.7-132.9 161.0 14.7 17.3 39.3 60 21 B E E -D 198 0D 61 -2,-0.3 2,-0.4 138,-0.3 138,-0.3 -0.538 48.6-100.9 -81.8 140.2 14.6 20.6 37.4 61 22 B e - 0 0 1 136,-3.0 136,-0.2 -2,-0.2 3,-0.1 -0.588 41.0-142.8 -62.4 120.7 17.9 21.6 35.9 62 23 B K >> - 0 0 100 -2,-0.4 3,-2.4 1,-0.2 4,-0.5 -0.268 42.7 -56.7 -79.4 170.2 19.5 24.2 38.1 63 24 B D T 34 S- 0 0 88 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.245 125.0 -3.0 -50.6 116.7 21.5 27.2 36.8 64 25 B G T 34 S+ 0 0 2 -3,-0.1 -13,-1.5 -14,-0.1 -1,-0.3 0.366 102.5 111.3 80.7 1.0 24.4 25.9 34.6 65 26 B E T <4 S+ 0 0 63 -3,-2.4 -2,-0.1 1,-0.2 3,-0.1 0.807 83.3 27.7 -76.2 -37.7 23.6 22.2 35.2 66 27 B e >< + 0 0 9 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.339 69.0 148.9-126.3 61.1 22.4 21.2 31.7 67 28 B P T 3 + 0 0 1 0, 0.0 92,-1.5 0, 0.0 42,-0.3 0.666 67.1 64.1 -67.7 -19.7 24.2 23.6 29.3 68 29 B W T 3 S+ 0 0 4 90,-0.2 17,-2.4 -3,-0.1 2,-0.3 0.584 76.8 115.3 -82.2 -9.4 24.4 21.0 26.5 69 30 B Q E < +L 84 0E 9 -3,-1.6 40,-0.5 15,-0.2 41,-0.3 -0.432 41.5 179.7 -67.2 126.5 20.6 20.9 26.2 70 31 B A E -LM 83 108E 0 13,-2.3 13,-1.3 -2,-0.3 2,-0.4 -0.755 13.6-148.7-118.1 165.2 19.1 22.2 22.9 71 32 B L E -LM 82 107E 3 36,-1.2 36,-2.5 -2,-0.3 2,-0.5 -0.991 8.4-139.0-141.2 125.6 15.4 22.4 22.0 72 33 B L E -LM 81 106E 0 9,-2.3 8,-2.5 -2,-0.4 9,-0.9 -0.776 25.5-164.5 -84.8 130.2 13.9 22.1 18.6 73 34 B I E -LM 79 105E 2 32,-2.7 32,-2.2 -2,-0.5 6,-0.2 -0.940 8.6-140.0-121.5 137.8 11.1 24.6 18.1 74 35 B N E > - M 0 104E 19 4,-2.3 3,-2.4 -2,-0.4 4,-0.3 -0.365 43.2 -84.0 -84.1 174.4 8.3 24.6 15.4 75 36 B E T 3 S+ 0 0 136 28,-0.7 29,-0.1 1,-0.3 -1,-0.1 0.744 129.4 58.3 -50.2 -28.9 7.0 27.7 13.6 76 37 B E T 3 S- 0 0 126 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.137 119.9-110.3 -90.9 19.2 4.6 28.3 16.5 77 38 B N S < S+ 0 0 114 -3,-2.4 2,-0.4 1,-0.2 -2,-0.2 0.731 72.1 139.4 61.0 29.8 7.6 28.6 18.9 78 39 B E - 0 0 109 -4,-0.3 -4,-2.3 2,-0.0 2,-0.3 -0.858 55.1-123.0-107.8 134.6 6.8 25.3 20.7 79 40 B G E +L 73 0E 22 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.598 35.1 167.7 -72.3 132.7 9.5 22.9 21.7 80 41 B F E + 0 0 23 -8,-2.5 2,-0.3 1,-0.4 157,-0.3 0.474 62.4 4.9-122.0 -12.0 8.8 19.5 20.1 81 42 B f E -L 72 0E 0 -9,-0.9 -9,-2.3 157,-0.1 -1,-0.4 -0.950 68.9-122.1-160.8 171.6 12.1 17.6 20.7 82 43 B G E -L 71 0E 1 157,-3.2 12,-0.3 -2,-0.3 2,-0.3 -0.447 20.3-172.1-113.9-172.4 15.4 18.0 22.4 83 44 B G E -L 70 0E 0 -13,-1.3 -13,-2.3 -2,-0.2 2,-0.4 -0.965 21.3-117.9-169.9 170.1 19.0 18.0 21.3 84 45 B T E -LN 69 92E 0 8,-2.1 8,-2.9 -2,-0.3 2,-0.6 -0.988 26.4-122.5-125.0 134.8 22.6 18.0 22.6 85 46 B I E + N 0 91E 0 -17,-2.4 76,-2.5 -2,-0.4 6,-0.2 -0.700 32.1 172.6 -76.6 118.8 25.1 20.8 21.7 86 47 B L - 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