==== 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 1LPG . 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) . 13908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 62.4 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 . 87 30.3 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 . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.3 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 0 1 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 . 6 3 1 4 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 0 240 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.5 41.5 -4.8 37.4 2 1BA K - 0 0 155 4,-0.0 7,-0.1 7,-0.0 0, 0.0 0.852 360.0 -11.7-101.0 -74.9 45.0 -4.2 36.0 3 1CA L S > S+ 0 0 31 18,-0.1 3,-2.4 2,-0.0 6,-0.8 0.634 136.3 3.5 -98.2-101.4 45.5 -1.2 33.9 4 1 A a T 3> S+ 0 0 18 1,-0.3 4,-0.7 4,-0.2 6,-0.1 0.715 130.1 61.3 -59.6 -21.7 42.5 0.9 32.6 5 2 A S T 34 S+ 0 0 80 3,-0.2 2,-1.0 2,-0.1 -1,-0.3 0.673 89.1 78.2 -78.5 -17.9 40.3 -1.5 34.6 6 3 A L T X4 S- 0 0 96 -3,-2.4 3,-2.1 1,-0.2 4,-0.2 -0.818 131.3 -40.1 -94.7 98.1 42.0 -0.4 37.8 7 4 A D G >4 S- 0 0 109 -2,-1.0 3,-2.3 1,-0.3 4,-0.2 0.858 108.3 -62.7 52.6 45.5 40.5 3.0 38.6 8 5 A N G >< S- 0 0 9 -4,-0.7 3,-1.7 1,-0.3 -1,-0.3 0.747 87.4 -74.9 54.0 23.9 40.5 4.1 34.9 9 6 A G G < S- 0 0 15 -3,-2.1 -1,-0.3 -6,-0.8 -2,-0.2 0.617 80.9 -69.6 65.6 15.7 44.3 3.8 35.0 10 7 A D G < S+ 0 0 86 -3,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.610 98.6 142.2 75.4 15.9 44.4 7.1 37.0 11 8 A b < - 0 0 0 -3,-1.7 -1,-0.3 -4,-0.2 27,-0.2 -0.605 54.4-142.5 -86.5 152.6 43.3 9.0 33.9 12 9 A D S S- 0 0 59 25,-2.2 -1,-0.1 -2,-0.2 26,-0.1 0.890 86.5 -13.5 -76.7 -41.5 40.9 11.9 34.1 13 10 A Q S S+ 0 0 4 24,-0.5 13,-0.2 12,-0.4 -2,-0.2 0.136 118.7 29.0-126.2-117.8 39.2 10.8 30.9 14 11 A F E -A 25 0A 6 11,-0.7 11,-1.8 10,-0.1 2,-0.4 -0.239 58.0-171.3 -60.6 134.0 40.1 8.3 28.1 15 12 A a E +A 24 0A 10 9,-0.2 2,-0.3 -4,-0.1 9,-0.2 -0.989 8.6 170.2-129.1 133.9 42.2 5.3 29.1 16 13 A H E -A 23 0A 96 7,-1.8 7,-1.9 -2,-0.4 2,-0.7 -0.998 29.8-133.7-146.1 136.6 43.7 2.8 26.7 17 14 A E E -A 22 0A 86 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.853 25.7-170.7 -92.6 111.5 46.2 0.0 27.3 18 15 A E S S- 0 0 105 3,-1.7 -2,-0.0 -2,-0.7 0, 0.0 -0.928 71.3 -27.2-110.4 113.4 48.8 0.2 24.5 19 16 A Q S S- 0 0 166 -2,-0.6 -1,-0.2 0, 0.0 3,-0.1 0.921 130.0 -48.8 48.5 49.1 51.3 -2.7 24.3 20 17 A N S S+ 0 0 106 1,-0.2 -2,-0.3 -3,-0.1 0, 0.0 0.127 116.1 74.8 69.3 160.5 50.6 -3.1 28.0 21 18 A S S S- 0 0 77 -4,-0.1 -3,-1.7 2,-0.0 2,-0.2 0.342 85.4 -81.9 78.1 144.2 50.8 -0.0 30.2 22 19 A V E -A 17 0A 41 -5,-0.2 2,-0.4 -13,-0.1 -5,-0.2 -0.543 34.5-170.7 -84.5 146.2 48.2 2.8 30.4 23 20 A V E -A 16 0A 67 -7,-1.9 -7,-1.8 -2,-0.2 2,-0.3 -0.963 10.1-160.6-137.4 113.7 47.9 5.7 28.0 24 21 A b E +A 15 0A 10 12,-0.6 2,-0.3 -2,-0.4 -9,-0.2 -0.678 13.0 171.5 -94.5 155.9 45.5 8.6 28.8 25 22 A S E -A 14 0A 37 -11,-1.8 -11,-0.7 -2,-0.3 -12,-0.4 -0.897 18.7-130.7-149.2 175.3 44.0 11.1 26.4 26 23 A c - 0 0 26 -2,-0.3 4,-0.1 -13,-0.2 3,-0.1 -0.936 23.5 -97.7-136.1 159.9 41.4 13.9 26.5 27 24 A A > - 0 0 5 -2,-0.3 3,-1.5 1,-0.2 2,-0.1 -0.123 62.1 -72.3 -67.6 164.8 38.3 15.1 24.6 28 25 A R T 3 S+ 0 0 157 1,-0.3 19,-0.4 135,-0.3 -1,-0.2 -0.403 124.3 39.3 -59.1 136.1 38.6 18.0 22.1 29 26 A G T 3 S+ 0 0 35 1,-0.5 13,-3.1 -3,-0.1 14,-0.5 0.437 104.0 84.4 101.0 -1.7 39.1 21.2 24.0 30 27 A Y E < -B 41 0B 17 -3,-1.5 -1,-0.5 11,-0.3 2,-0.4 -0.881 60.9-152.0-127.8 159.8 41.4 19.6 26.6 31 28 A T E -B 40 0B 74 9,-1.8 9,-3.2 -2,-0.3 2,-0.3 -0.981 30.7-104.8-133.7 140.1 45.1 18.9 26.7 32 29 A L E -B 39 0B 70 -2,-0.4 7,-0.2 7,-0.2 -6,-0.0 -0.550 41.3-125.0 -64.9 123.6 46.9 16.2 28.6 33 30 A A > - 0 0 20 5,-3.2 3,-2.1 -2,-0.3 -1,-0.1 -0.140 32.1 -92.2 -60.4 173.5 48.6 17.7 31.6 34 31 A D T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.670 124.6 65.0 -63.0 -23.5 52.3 17.2 32.1 35 32 A N T 3 S- 0 0 103 3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.478 107.5-126.0 -78.1 -2.4 51.6 14.1 34.3 36 33 A G S < S+ 0 0 29 -3,-2.1 -12,-0.6 2,-0.1 -2,-0.1 0.664 95.6 66.9 65.7 20.8 50.2 12.4 31.2 37 34 A K S S+ 0 0 82 -26,-0.1 -25,-2.2 -14,-0.1 -24,-0.5 0.625 76.8 76.8-134.1 -46.2 46.9 11.7 33.1 38 35 A A - 0 0 19 -27,-0.2 -5,-3.2 -26,-0.1 2,-0.5 -0.401 67.5-135.2 -75.3 153.9 45.0 14.9 33.9 39 36 A c E -B 32 0B 12 -7,-0.2 -7,-0.2 -2,-0.1 -1,-0.0 -0.944 15.4-161.2-115.9 121.9 43.0 16.9 31.3 40 37 A I E -B 31 0B 79 -9,-3.2 -9,-1.8 -2,-0.5 -14,-0.0 -0.897 22.2-118.1-105.3 128.0 43.3 20.6 31.2 41 38 A P E -B 30 0B 61 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.337 14.3-156.0 -63.6 141.4 40.7 22.8 29.4 42 39 A T S S+ 0 0 103 -13,-3.1 -12,-0.1 -14,-0.0 -13,-0.0 0.789 70.5 16.7 -88.2 -29.9 41.9 24.9 26.5 43 40 A G S S- 0 0 36 -14,-0.5 -1,-0.0 1,-0.0 0, 0.0 -0.713 90.1 -82.7-132.5-171.5 39.2 27.6 26.6 44 41 A P S S+ 0 0 124 0, 0.0 111,-0.0 0, 0.0 -1,-0.0 0.695 119.4 35.1 -65.5 -32.7 36.5 29.3 28.7 45 42 A Y S S- 0 0 73 6,-0.1 3,-0.1 109,-0.0 6,-0.1 -0.561 77.6-177.7-127.2 67.8 33.7 26.8 28.0 46 43 A P > - 0 0 18 0, 0.0 3,-1.1 0, 0.0 -17,-0.1 -0.267 39.0 -89.3 -61.4 154.6 35.3 23.3 27.7 47 44 A d T 3 S+ 0 0 15 -19,-0.4 114,-0.3 1,-0.2 3,-0.1 -0.212 105.5 20.6 -66.4 151.5 32.9 20.4 26.9 48 45 A G T 3 S+ 0 0 0 112,-2.3 203,-1.6 1,-0.2 2,-0.5 0.496 89.6 123.4 72.5 5.5 31.2 18.5 29.6 49 46 A K < - 0 0 59 -3,-1.1 -1,-0.2 111,-0.4 2,-0.1 -0.868 63.2-127.5-103.7 124.7 31.6 21.2 32.3 50 47 A Q - 0 0 61 -2,-0.5 2,-0.6 199,-0.3 15,-0.2 -0.503 39.2-104.2 -65.1 137.5 28.5 22.5 34.0 51 48 A T + 0 0 9 13,-1.3 -1,-0.1 1,-0.2 106,-0.1 -0.588 40.6 175.7 -74.2 114.6 28.6 26.3 33.7 52 49 A L 0 0 160 -2,-0.6 -1,-0.2 1,-0.2 104,-0.1 0.605 360.0 360.0 -87.9 -21.3 29.5 28.0 37.0 53 50 A E 0 0 178 11,-0.1 -1,-0.2 102,-0.0 104,-0.1 -0.982 360.0 360.0-154.3 360.0 29.6 31.5 35.5 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 0.000 360.0 360.0 360.0 122.4 10.6 14.1 32.1 56 17 B V B -C 233 0C 8 177,-3.1 177,-1.2 142,-0.0 132,-0.1 -0.867 360.0 -16.6 -94.0 127.9 8.5 12.1 34.6 57 18 B G S S+ 0 0 27 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.401 95.0 102.9 75.0-153.7 9.9 12.5 38.1 58 19 B G S S- 0 0 21 143,-0.1 2,-0.3 140,-0.1 142,-0.2 -0.308 73.0 -79.1 76.3-163.0 13.4 13.9 38.4 59 20 B Q E -D 199 0D 142 140,-2.2 140,-2.9 -2,-0.0 2,-0.1 -0.927 43.3 -94.2-137.1 159.4 14.3 17.5 39.3 60 21 B E E -D 198 0D 63 -2,-0.3 2,-0.5 138,-0.2 138,-0.3 -0.429 48.0-102.8 -76.2 144.1 14.3 20.7 37.4 61 22 B e - 0 0 1 136,-3.2 136,-0.2 50,-0.1 3,-0.1 -0.686 40.2-142.8 -68.0 122.6 17.7 21.7 35.9 62 23 B K >> - 0 0 105 -2,-0.5 3,-2.7 1,-0.2 4,-0.5 -0.291 41.5 -57.4 -81.3 170.7 19.3 24.4 38.0 63 24 B D T 34 S- 0 0 76 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.220 125.1 -1.8 -52.6 119.9 21.3 27.3 36.7 64 25 B G T 34 S+ 0 0 2 -3,-0.1 -13,-1.3 1,-0.1 -1,-0.3 0.425 103.3 110.3 77.2 5.1 24.2 26.0 34.6 65 26 B E T <4 S+ 0 0 64 -3,-2.7 -2,-0.1 1,-0.2 3,-0.1 0.772 84.4 26.9 -80.7 -36.0 23.3 22.4 35.3 66 27 B e S >< S+ 0 0 8 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.325 70.8 150.8-126.6 58.7 22.2 21.2 31.8 67 28 B P T 3 + 0 0 0 0, 0.0 92,-1.8 0, 0.0 42,-0.3 0.662 67.3 62.1 -65.3 -19.7 24.1 23.7 29.5 68 29 B W T 3 S+ 0 0 5 90,-0.2 17,-3.0 92,-0.1 2,-0.3 0.458 76.3 117.7 -86.7 -2.8 24.2 21.2 26.6 69 30 B Q E < -L 84 0E 9 -3,-1.9 40,-0.6 15,-0.2 2,-0.3 -0.500 41.5-175.1 -71.4 128.1 20.4 21.0 26.2 70 31 B A E -LM 83 108E 0 13,-2.4 13,-1.4 -2,-0.3 2,-0.4 -0.860 12.0-147.8-118.0 155.7 19.0 22.3 22.9 71 32 B L E -LM 82 107E 3 36,-2.2 36,-2.8 -2,-0.3 2,-0.5 -0.982 6.2-144.2-132.3 117.3 15.3 22.6 22.0 72 33 B L E -LM 81 106E 0 9,-1.9 8,-2.4 -2,-0.4 9,-1.0 -0.715 24.6-165.4 -79.4 124.9 13.9 22.1 18.5 73 34 B I E -LM 79 105E 1 32,-2.5 32,-2.3 -2,-0.5 6,-0.2 -0.930 9.3-137.5-117.5 139.7 11.0 24.6 18.0 74 35 B N E > - M 0 104E 22 4,-2.4 3,-1.9 -2,-0.4 30,-0.2 -0.265 44.0 -80.8 -83.2 179.3 8.4 24.5 15.3 75 36 B E T 3 S+ 0 0 107 28,-0.6 29,-0.1 1,-0.3 -1,-0.1 0.722 130.8 55.1 -55.0 -22.7 7.0 27.5 13.3 76 37 B E T 3 S- 0 0 122 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 -0.037 119.9-108.1-100.7 25.2 4.8 28.4 16.3 77 38 B N S < S+ 0 0 112 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.663 74.2 139.3 58.6 21.7 7.7 28.6 18.7 78 39 B E - 0 0 112 -4,-0.1 -4,-2.4 2,-0.0 2,-0.3 -0.815 54.7-124.4 -98.8 133.1 6.6 25.3 20.4 79 40 B G E +L 73 0E 20 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.579 34.8 167.8 -74.1 132.6 9.3 22.9 21.4 80 41 B F E + 0 0 25 -8,-2.4 157,-0.3 1,-0.3 2,-0.3 0.551 62.4 6.0-120.2 -14.0 8.7 19.4 20.0 81 42 B f E -L 72 0E 0 -9,-1.0 -9,-1.9 157,-0.1 -1,-0.3 -0.937 68.1-123.0-157.5 172.4 12.0 17.6 20.5 82 43 B G E -L 71 0E 2 157,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.521 20.4-173.5-114.9-175.4 15.3 18.0 22.3 83 44 B G E -L 70 0E 0 -13,-1.4 -13,-2.4 -2,-0.2 2,-0.4 -0.961 22.3-115.6-167.8 171.5 18.9 17.9 21.2 84 45 B T E -LN 69 92E 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.5 -0.990 25.8-123.7-125.0 131.2 22.5 18.1 22.6 85 46 B I E + N 0 91E 0 -17,-3.0 76,-2.5 -2,-0.4 6,-0.2 -0.596 33.0 171.2 -74.0 121.9 25.0 20.8 21.8 86 47 B L - 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