==== 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 1LPK . COMPND 2 MOLECULE: BLOOD COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.A.SCHREUDER,P.LOENZE,V.BRACHVOGEL,A.LIESUM . 287 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13703.0 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 . 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 . 20 7.0 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 . 19 6.6 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 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 . 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 0 249 0, 0.0 3,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 106.4 42.7 -5.0 36.7 2 1BA K - 0 0 142 4,-0.0 7,-0.1 0, 0.0 4,-0.1 0.630 360.0 -18.5-107.0-100.4 45.9 -4.1 34.9 3 1CA L S > S+ 0 0 32 2,-0.1 3,-2.6 18,-0.1 6,-0.8 0.789 134.1 5.8 -80.8-103.9 46.5 -0.9 32.9 4 1 A a T 3> S+ 0 0 20 1,-0.3 4,-0.6 4,-0.2 6,-0.1 0.704 127.9 64.1 -57.2 -17.1 43.5 1.1 31.7 5 2 A S T 34 S+ 0 0 74 3,-0.2 2,-0.9 2,-0.1 -1,-0.3 0.686 88.4 75.9 -79.7 -19.3 41.3 -1.3 33.8 6 3 A L T X4 S- 0 0 97 -3,-2.6 3,-2.6 1,-0.2 4,-0.3 -0.854 131.8 -37.8 -96.6 104.7 43.0 -0.1 36.9 7 4 A D G >4 S- 0 0 111 -2,-0.9 3,-2.7 1,-0.3 -1,-0.2 0.847 108.2 -65.8 48.3 42.9 41.5 3.3 37.7 8 5 A N G >< S- 0 0 9 -4,-0.6 3,-1.9 1,-0.3 -1,-0.3 0.798 87.7 -70.8 54.1 27.5 41.4 4.2 34.0 9 6 A G G < S- 0 0 13 -3,-2.6 -1,-0.3 -6,-0.8 -2,-0.2 0.716 81.8 -71.5 62.8 22.2 45.2 4.1 34.1 10 7 A D G < S+ 0 0 90 -3,-2.7 -1,-0.3 -4,-0.3 -2,-0.2 0.513 97.2 145.7 71.1 5.3 45.3 7.3 36.2 11 8 A b < - 0 0 0 -3,-1.9 -1,-0.3 -4,-0.2 27,-0.2 -0.392 52.9-140.6 -73.1 153.3 44.1 9.2 33.1 12 9 A D S S- 0 0 58 25,-2.1 26,-0.1 2,-0.2 -1,-0.1 0.930 84.1 -16.7 -77.4 -45.9 41.8 12.2 33.3 13 10 A Q S S+ 0 0 4 24,-0.5 13,-0.2 12,-0.4 -2,-0.1 0.260 119.8 30.3-123.3-110.6 39.9 11.2 30.2 14 11 A F E -A 25 0A 8 11,-0.7 11,-1.6 10,-0.0 2,-0.4 -0.281 61.0-167.1 -63.8 134.5 40.7 8.8 27.4 15 12 A a E +A 24 0A 13 9,-0.2 2,-0.3 -4,-0.1 9,-0.2 -0.984 10.0 172.3-126.7 136.3 42.8 5.7 28.2 16 13 A H E -A 23 0A 92 7,-1.5 7,-2.2 -2,-0.4 2,-1.1 -0.996 30.5-139.7-143.8 140.0 44.5 3.4 25.8 17 14 A E E > -A 22 0A 72 -2,-0.3 2,-1.1 5,-0.2 3,-0.6 -0.833 26.4-165.5 -98.3 85.5 47.0 0.5 26.3 18 15 A E T 3 S- 0 0 99 -2,-1.1 -2,-0.0 3,-0.6 4,-0.0 -0.704 74.1 -28.0 -79.7 100.2 49.2 1.2 23.3 19 16 A Q T 3 S- 0 0 171 -2,-1.1 -1,-0.3 0, 0.0 3,-0.1 0.935 133.0 -39.7 57.7 54.0 51.3 -1.9 22.9 20 17 A N S < S+ 0 0 102 -3,-0.6 -2,-0.1 1,-0.2 -4,-0.0 0.226 117.6 63.3 69.7 151.7 51.1 -2.6 26.6 21 18 A S S S- 0 0 69 -4,-0.2 -3,-0.6 2,-0.0 2,-0.2 0.201 89.1 -73.0 80.0 154.6 51.3 0.3 29.1 22 19 A V E -A 17 0A 41 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.595 36.8-175.3 -87.6 144.4 48.9 3.3 29.4 23 20 A V E -A 16 0A 71 -7,-2.2 -7,-1.5 -2,-0.2 2,-0.3 -0.961 13.1-159.6-138.8 111.5 48.5 6.2 27.0 24 21 A b E +A 15 0A 10 12,-0.6 2,-0.3 -2,-0.4 -9,-0.2 -0.677 14.8 168.7 -93.9 155.9 46.2 9.0 28.0 25 22 A S E -A 14 0A 38 -11,-1.6 -11,-0.7 -2,-0.3 -12,-0.4 -0.891 20.5-127.1-149.8 178.1 44.6 11.6 25.7 26 23 A c - 0 0 26 -2,-0.3 3,-0.1 4,-0.2 6,-0.1 -0.856 21.7 -97.9-136.0 163.9 41.8 14.2 25.9 27 24 A A > - 0 0 4 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 -0.275 63.6 -69.1 -72.6 164.8 38.7 15.4 24.2 28 25 A R T 3 S+ 0 0 145 1,-0.3 19,-0.4 135,-0.2 -1,-0.2 -0.315 125.0 32.7 -55.2 134.0 38.7 18.3 21.7 29 26 A G T 3 S+ 0 0 37 1,-0.4 13,-2.6 -3,-0.1 14,-0.4 0.524 103.3 91.6 95.3 3.7 39.4 21.6 23.6 30 27 A Y E < -B 41 0B 20 -3,-1.5 2,-0.4 11,-0.2 -1,-0.4 -0.933 60.7-151.7-127.8 149.0 41.6 19.9 26.2 31 28 A T E -B 40 0B 72 9,-2.3 9,-3.2 -2,-0.3 -4,-0.1 -0.994 28.5-110.9-125.5 128.0 45.4 19.5 26.0 32 29 A L E -B 39 0B 72 -2,-0.4 7,-0.3 7,-0.2 6,-0.1 -0.395 40.7-120.8 -55.8 133.9 47.1 16.6 27.8 33 30 A A > - 0 0 23 5,-3.7 3,-1.5 1,-0.1 -1,-0.1 -0.090 26.9 -93.0 -70.5 179.7 49.1 17.9 30.7 34 31 A D T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.829 123.9 59.1 -61.0 -44.4 52.9 17.5 31.4 35 32 A N T 3 S- 0 0 105 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.604 110.9-123.2 -63.7 -8.8 52.4 14.4 33.5 36 33 A G S < S+ 0 0 28 -3,-1.5 -12,-0.6 2,-0.1 -2,-0.1 0.803 96.6 69.2 69.4 29.1 50.8 12.8 30.4 37 34 A K S S+ 0 0 78 1,-0.2 -25,-2.1 -26,-0.1 -24,-0.5 0.531 75.1 75.2-137.5 -56.2 47.6 12.1 32.3 38 35 A A - 0 0 20 -27,-0.2 -5,-3.7 -26,-0.1 2,-0.5 -0.246 68.4-137.4 -66.1 154.3 45.7 15.3 33.3 39 36 A c E -B 32 0B 11 -7,-0.3 -7,-0.2 -3,-0.1 -1,-0.0 -0.983 13.4-153.8-118.9 127.9 43.7 17.2 30.7 40 37 A I E -B 31 0B 79 -9,-3.2 -9,-2.3 -2,-0.5 -14,-0.0 -0.871 19.1-118.4-107.1 130.0 43.8 21.0 30.6 41 38 A P E -B 30 0B 61 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.362 13.4-151.9 -63.8 143.3 41.0 23.1 29.2 42 39 A T - 0 0 98 -13,-2.6 -12,-0.1 -14,-0.1 -13,-0.1 0.559 69.7 -0.8 -93.6 -7.6 42.0 25.3 26.2 43 40 A G S S- 0 0 38 -14,-0.4 -1,-0.0 1,-0.0 0, 0.0 -0.892 90.8 -64.8-160.4-169.1 39.5 28.0 26.8 44 41 A P S S+ 0 0 116 0, 0.0 -1,-0.0 0, 0.0 111,-0.0 0.735 121.0 31.4 -60.8 -37.3 36.7 29.6 28.9 45 42 A Y S S- 0 0 62 6,-0.1 3,-0.1 109,-0.0 6,-0.1 -0.521 74.7-176.8-129.2 69.8 34.0 26.9 28.2 46 43 A P > - 0 0 19 0, 0.0 3,-1.1 0, 0.0 -17,-0.1 -0.273 40.4 -90.5 -63.5 149.9 35.6 23.5 27.7 47 44 A d T 3 S+ 0 0 15 -19,-0.4 114,-0.3 1,-0.2 3,-0.1 -0.195 106.4 22.9 -60.1 149.4 33.1 20.7 26.8 48 45 A G T 3 S+ 0 0 0 112,-2.4 203,-1.9 1,-0.2 2,-0.5 0.597 89.5 122.3 72.3 12.8 31.6 18.7 29.6 49 46 A K < - 0 0 61 -3,-1.1 2,-0.2 111,-0.4 -1,-0.2 -0.928 63.2-126.8-111.6 126.8 32.0 21.3 32.4 50 47 A Q - 0 0 69 -2,-0.5 2,-0.7 199,-0.3 15,-0.2 -0.539 39.2-104.2 -68.4 133.3 29.0 22.6 34.2 51 48 A T + 0 0 8 13,-1.1 -1,-0.1 -2,-0.2 15,-0.1 -0.539 43.3 171.1 -69.8 106.7 29.0 26.3 34.0 52 49 A L 0 0 159 -2,-0.7 -1,-0.2 1,-0.2 104,-0.1 0.717 360.0 360.0 -79.4 -30.2 30.1 27.8 37.3 53 50 A E 0 0 161 -3,-0.1 -1,-0.2 11,-0.1 104,-0.1 -0.879 360.0 360.0-154.9 360.0 30.3 31.2 35.6 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 1 0, 0.0 2,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 125.3 11.1 13.9 32.7 56 17 B V B -C 233 0C 13 177,-3.3 177,-1.5 142,-0.0 2,-0.2 -0.823 360.0 -20.2 -93.6 120.9 9.2 11.9 35.3 57 18 B G S S+ 0 0 29 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.553 95.7 104.9 80.6-144.2 10.6 12.3 38.7 58 19 B G S S- 0 0 18 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.180 71.3 -76.8 66.9-160.0 14.2 13.6 38.8 59 20 B Q E -D 199 0D 138 140,-3.0 140,-3.0 3,-0.0 2,-0.0 -0.931 38.5 -91.4-140.7 161.5 15.1 17.1 39.7 60 21 B E E -D 198 0D 60 -2,-0.3 2,-0.7 138,-0.2 138,-0.3 -0.375 45.4-114.1 -67.7 144.5 15.1 20.6 38.2 61 22 B e - 0 0 1 136,-2.9 136,-0.2 50,-0.2 3,-0.1 -0.810 36.3-146.9 -80.7 118.2 18.4 21.5 36.5 62 23 B K > - 0 0 105 -2,-0.7 3,-2.4 1,-0.2 4,-0.5 -0.409 43.1 -54.2 -79.4 171.6 19.8 24.3 38.7 63 24 B D T 3 S- 0 0 76 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.130 125.3 -0.1 -49.0 124.6 21.8 27.2 37.2 64 25 B G T 3 S+ 0 0 2 -3,-0.1 -13,-1.1 1,-0.1 -1,-0.3 0.359 100.8 108.7 76.6 -3.0 24.8 25.9 35.2 65 26 B E S < S+ 0 0 65 -3,-2.4 -2,-0.1 1,-0.2 3,-0.1 0.804 87.2 25.6 -75.2 -34.1 24.0 22.2 35.8 66 27 B e S > S+ 0 0 8 -4,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.297 70.1 150.1-130.2 60.0 22.8 21.2 32.3 67 28 B P T 3 + 0 0 0 0, 0.0 92,-1.5 0, 0.0 42,-0.3 0.651 67.4 63.2 -64.9 -21.9 24.5 23.8 29.9 68 29 B W T 3 S+ 0 0 5 90,-0.2 17,-2.6 -3,-0.1 2,-0.3 0.458 76.4 114.6 -83.9 -5.6 24.6 21.4 27.0 69 30 B Q E < -L 84 0E 10 -3,-1.7 40,-0.6 15,-0.2 2,-0.3 -0.518 42.6-177.2 -72.4 133.1 20.8 21.1 26.7 70 31 B A E -LM 83 108E 1 13,-2.2 13,-1.3 -2,-0.3 2,-0.4 -0.842 11.9-148.0-123.2 159.3 19.3 22.5 23.6 71 32 B L E -LM 82 107E 4 36,-2.1 36,-2.7 -2,-0.3 2,-0.5 -0.999 6.8-141.0-135.3 131.6 15.6 22.7 22.8 72 33 B L E -LM 81 106E 0 9,-3.2 8,-2.6 -2,-0.4 9,-1.0 -0.836 23.4-168.5 -92.2 127.7 13.9 22.5 19.4 73 34 B I E -LM 79 105E 0 32,-2.2 32,-2.4 -2,-0.5 6,-0.3 -0.935 10.4-136.0-117.6 142.0 11.0 24.9 19.1 74 35 B N E > - M 0 104E 26 4,-2.7 3,-2.5 -2,-0.4 30,-0.2 -0.172 44.5 -72.8 -85.5-174.3 8.3 25.0 16.3 75 36 B E T 3 S+ 0 0 100 28,-0.8 29,-0.1 1,-0.3 -1,-0.1 0.801 135.1 49.0 -46.5 -39.7 6.8 27.8 14.3 76 37 B E T 3 S- 0 0 120 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.002 123.1-106.4 -93.7 28.0 4.8 28.9 17.3 77 38 B N S < S+ 0 0 96 -3,-2.5 2,-0.4 1,-0.2 -2,-0.2 0.785 70.9 147.4 51.4 39.8 8.0 28.8 19.5 78 39 B E - 0 0 103 -4,-0.1 -4,-2.7 2,-0.0 2,-0.4 -0.851 49.7-124.7-103.9 134.6 6.9 25.6 21.3 79 40 B G E +L 73 0E 20 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.661 38.4 161.8 -78.5 128.5 9.6 23.2 22.4 80 41 B F E + 0 0 29 -8,-2.6 2,-0.3 -2,-0.4 157,-0.3 0.411 62.0 12.8-122.9 -8.6 8.9 19.7 21.0 81 42 B f E -L 72 0E 0 -9,-1.0 -9,-3.2 157,-0.1 -1,-0.4 -0.968 67.7-126.2-161.8 161.3 12.2 17.9 21.3 82 43 B G E -L 71 0E 1 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.378 20.7-176.3-105.7-175.1 15.6 18.3 22.9 83 44 B G E -L 70 0E 0 -13,-1.3 -13,-2.2 -2,-0.1 2,-0.4 -0.950 22.7-115.0-168.5 172.9 19.1 18.2 21.7 84 45 B T E -LN 69 92E 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.5 -0.976 24.0-123.0-126.3 137.6 22.7 18.4 22.9 85 46 B I E + N 0 91E 0 -17,-2.6 76,-2.9 -2,-0.4 6,-0.2 -0.743 33.7 169.4 -79.3 120.5 25.2 21.2 22.2 86 47 B L - 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