==== 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 10-MAY-02 1LQD . 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) . 13855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.0 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 . 86 30.0 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 . 23 8.0 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 . 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 . 6 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 0 250 0, 0.0 5,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 88.4 42.5 -4.8 36.8 2 1BA K - 0 0 153 4,-0.0 7,-0.0 0, 0.0 0, 0.0 0.821 360.0 -10.3-105.4 -83.5 45.9 -4.0 35.3 3 1CA L S > S+ 0 0 30 18,-0.1 3,-3.8 2,-0.0 6,-0.7 0.533 135.7 1.4 -91.2-111.8 46.5 -0.9 33.1 4 1 A a T 3> S+ 0 0 21 1,-0.3 4,-0.6 4,-0.2 6,-0.1 0.670 131.3 61.6 -52.8 -16.7 43.5 1.0 31.9 5 2 A S T 34 S+ 0 0 83 3,-0.2 2,-1.0 2,-0.1 -1,-0.3 0.564 88.8 78.5 -82.8 -16.7 41.3 -1.4 33.9 6 3 A L T X4 S- 0 0 96 -3,-3.8 3,-1.5 1,-0.2 4,-0.3 -0.851 130.2 -40.6 -95.6 92.7 43.0 -0.2 37.0 7 4 A D G >4 S- 0 0 103 -2,-1.0 3,-3.2 1,-0.3 4,-0.2 0.908 108.5 -59.9 55.3 49.2 41.4 3.1 37.8 8 5 A N G >< S- 0 0 10 -4,-0.6 3,-2.0 1,-0.3 -1,-0.3 0.760 89.8 -74.6 55.3 21.6 41.2 4.3 34.2 9 6 A G G < S- 0 0 12 -3,-1.5 -1,-0.3 -6,-0.7 -2,-0.2 0.729 81.1 -71.2 65.1 17.7 45.0 4.0 34.3 10 7 A D G < S+ 0 0 84 -3,-3.2 -1,-0.3 -4,-0.3 -2,-0.2 0.555 99.3 140.0 74.9 7.6 45.1 7.2 36.4 11 8 A b < - 0 0 0 -3,-2.0 -1,-0.2 -4,-0.2 27,-0.2 -0.451 55.3-138.6 -80.3 161.0 44.0 9.2 33.3 12 9 A D S S- 0 0 61 25,-1.7 -1,-0.1 2,-0.2 26,-0.1 0.928 85.9 -10.3 -83.1 -44.2 41.5 12.1 33.5 13 10 A Q S S+ 0 0 4 24,-0.5 13,-0.2 12,-0.4 -2,-0.1 0.315 118.7 25.6-119.5-114.1 39.8 11.2 30.3 14 11 A F E -A 25 0A 8 11,-0.8 11,-1.6 10,-0.0 2,-0.4 -0.255 59.4-167.2 -63.1 139.3 40.6 8.7 27.6 15 12 A a E +A 24 0A 13 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.976 9.4 172.8-130.2 140.3 42.8 5.6 28.4 16 13 A H E -A 23 0A 91 7,-1.2 7,-1.5 -2,-0.4 2,-0.9 -0.985 29.1-136.3-149.3 136.6 44.5 3.2 26.0 17 14 A E E -A 22 0A 84 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.820 24.5-168.6 -94.0 102.1 47.0 0.3 26.5 18 15 A E S S- 0 0 103 3,-1.8 -2,-0.0 -2,-0.9 -1,-0.0 -0.830 73.1 -30.3 -98.1 102.5 49.5 0.8 23.8 19 16 A Q S S- 0 0 166 -2,-0.9 -1,-0.2 0, 0.0 3,-0.1 0.906 130.8 -41.1 56.7 50.6 51.7 -2.3 23.6 20 17 A N S S+ 0 0 111 1,-0.2 -2,-0.1 -3,-0.2 0, 0.0 0.321 119.2 68.4 69.0 141.6 51.3 -2.8 27.3 21 18 A S S S- 0 0 75 -4,-0.1 -3,-1.8 2,-0.0 -1,-0.2 0.297 85.1 -82.4 89.7 143.3 51.4 0.3 29.4 22 19 A V E -A 17 0A 39 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.436 32.7-174.4 -82.0 149.5 48.9 3.2 29.6 23 20 A V E -A 16 0A 76 -7,-1.5 -7,-1.2 -2,-0.1 2,-0.3 -0.942 13.7-156.3-143.6 115.6 48.6 6.2 27.3 24 21 A b E +A 15 0A 8 12,-0.7 2,-0.3 -2,-0.4 -9,-0.2 -0.661 13.3 176.8 -94.8 154.9 46.1 8.9 28.1 25 22 A S E -A 14 0A 35 -11,-1.6 -11,-0.8 -2,-0.3 -12,-0.4 -0.887 17.9-129.5-145.3 170.5 44.5 11.4 25.7 26 23 A c - 0 0 26 -2,-0.3 3,-0.1 4,-0.2 4,-0.1 -0.953 22.7-103.1-131.7 153.8 41.9 14.2 26.0 27 24 A A > - 0 0 5 -2,-0.3 3,-1.5 1,-0.2 2,-0.2 -0.061 63.3 -66.6 -62.6 167.0 38.7 15.3 24.2 28 25 A R T 3 S+ 0 0 153 135,-0.3 19,-0.4 1,-0.2 -1,-0.2 -0.387 125.0 32.7 -61.6 127.2 38.8 18.2 21.7 29 26 A G T 3 S+ 0 0 38 1,-0.5 13,-2.8 -2,-0.2 14,-0.5 0.449 103.6 86.6 106.8 -2.1 39.5 21.4 23.6 30 27 A Y E < -B 41 0B 18 -3,-1.5 -1,-0.5 11,-0.2 2,-0.4 -0.911 62.3-148.6-124.7 158.1 41.7 19.9 26.3 31 28 A T E -B 40 0B 74 9,-2.8 9,-3.4 -2,-0.3 2,-0.2 -0.970 27.9-105.9-132.1 136.2 45.4 19.3 26.2 32 29 A L E -B 39 0B 75 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.508 42.2-127.2 -59.3 126.5 47.3 16.5 28.0 33 30 A A > - 0 0 23 5,-3.0 3,-2.4 -2,-0.2 -1,-0.1 -0.205 30.0 -90.3 -70.3 172.6 49.1 18.0 30.9 34 31 A D T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.776 124.1 63.2 -51.9 -39.5 52.9 17.5 31.6 35 32 A N T 3 S- 0 0 100 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.621 108.9-123.6 -65.0 -9.0 52.2 14.4 33.7 36 33 A G S < S+ 0 0 30 -3,-2.4 -12,-0.7 2,-0.2 -2,-0.1 0.604 97.6 66.6 72.8 15.4 50.8 12.7 30.6 37 34 A K S S+ 0 0 80 -26,-0.1 -25,-1.7 -14,-0.1 -24,-0.5 0.683 74.1 76.7-129.6 -56.0 47.6 12.1 32.5 38 35 A A - 0 0 18 -27,-0.2 -5,-3.0 -26,-0.1 2,-0.5 -0.260 68.8-133.6 -63.9 154.7 45.7 15.2 33.5 39 36 A c E -B 32 0B 11 -7,-0.2 -7,-0.2 -9,-0.0 -1,-0.1 -0.968 17.2-158.2-116.8 117.2 43.6 17.1 30.9 40 37 A I E -B 31 0B 78 -9,-3.4 -9,-2.8 -2,-0.5 2,-0.1 -0.855 18.7-120.2 -97.9 132.1 43.9 20.8 30.8 41 38 A P E -B 30 0B 62 0, 0.0 -11,-0.2 0, 0.0 -12,-0.1 -0.391 15.8-163.0 -70.3 142.9 41.2 23.0 29.2 42 39 A T + 0 0 103 -13,-2.8 -12,-0.1 -2,-0.1 -13,-0.0 0.889 68.8 32.5 -90.5 -51.4 42.1 25.2 26.3 43 40 A G S S- 0 0 32 -14,-0.5 0, 0.0 1,-0.0 0, 0.0 -0.430 87.6 -98.6-103.8-177.5 39.2 27.7 26.3 44 41 A P S S+ 0 0 123 0, 0.0 -1,-0.0 0, 0.0 111,-0.0 0.734 118.2 36.1 -68.0 -31.1 36.8 29.4 28.7 45 42 A Y S S- 0 0 63 6,-0.1 2,-0.1 109,-0.0 3,-0.1 -0.685 80.7-174.6-125.9 72.9 34.0 26.9 28.1 46 43 A P > - 0 0 19 0, 0.0 3,-1.3 0, 0.0 -17,-0.1 -0.423 36.7 -90.2 -68.2 146.8 35.6 23.5 27.6 47 44 A d T 3 S+ 0 0 15 -19,-0.4 114,-0.3 1,-0.2 3,-0.1 -0.086 107.5 23.9 -53.2 153.7 33.2 20.6 26.7 48 45 A G T 3 S+ 0 0 0 112,-1.7 203,-1.7 1,-0.2 2,-0.5 0.484 92.0 122.5 69.3 4.3 31.7 18.5 29.4 49 46 A K < - 0 0 62 -3,-1.3 -1,-0.2 111,-0.4 2,-0.2 -0.859 59.9-132.6-106.0 129.6 31.9 21.2 32.1 50 47 A Q - 0 0 68 -2,-0.5 2,-0.5 199,-0.3 15,-0.2 -0.512 36.4-110.0 -70.7 141.7 28.9 22.6 34.0 51 48 A T + 0 0 10 13,-1.3 -1,-0.1 -2,-0.2 15,-0.1 -0.669 37.1 174.3 -83.6 124.1 29.1 26.4 34.0 52 49 A L 0 0 162 -2,-0.5 -1,-0.1 1,-0.3 104,-0.1 0.417 360.0 360.0 -99.4 -7.3 29.8 28.1 37.3 53 50 A E 0 0 160 11,-0.1 -1,-0.3 102,-0.1 104,-0.1 -0.950 360.0 360.0-162.5 360.0 30.0 31.5 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,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 121.8 11.0 14.0 32.5 56 17 B V B -C 233 0C 10 177,-3.4 177,-1.6 142,-0.0 2,-0.2 -0.830 360.0 -10.4 -95.7 131.0 9.0 12.0 35.0 57 18 B G S S+ 0 0 27 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.517 94.6 98.2 79.7-149.6 10.6 12.3 38.5 58 19 B G S S- 0 0 20 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.010 72.9 -78.7 64.9-170.2 14.0 13.8 38.8 59 20 B Q E -D 199 0D 140 140,-1.9 140,-3.3 3,-0.0 2,-0.1 -0.876 44.1 -96.4-127.4 162.4 15.0 17.4 39.7 60 21 B E E -D 198 0D 59 -2,-0.3 2,-0.4 138,-0.3 138,-0.3 -0.502 46.8 -99.5 -82.7 145.0 15.0 20.6 37.8 61 22 B e - 0 0 2 136,-2.3 136,-0.2 -2,-0.1 3,-0.1 -0.620 41.6-146.1 -66.1 118.1 18.2 21.7 36.1 62 23 B K >> - 0 0 97 -2,-0.4 3,-2.5 1,-0.2 4,-0.5 -0.351 44.2 -54.2 -78.6 170.0 19.8 24.3 38.4 63 24 B D T 34 S- 0 0 77 1,-0.3 -1,-0.2 2,-0.1 48,-0.0 -0.236 124.9 -5.2 -51.2 119.5 21.8 27.2 37.1 64 25 B G T 34 S+ 0 0 2 -3,-0.1 -13,-1.3 -2,-0.1 -1,-0.3 0.448 101.7 113.8 75.3 3.7 24.6 26.0 34.8 65 26 B E T <4 S+ 0 0 64 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.809 86.2 23.1 -76.0 -31.4 23.9 22.3 35.6 66 27 B e >< + 0 0 9 -4,-0.5 3,-1.4 1,-0.1 -1,-0.2 -0.368 69.6 150.7-135.9 62.9 22.8 21.3 32.1 67 28 B P T 3 + 0 0 1 0, 0.0 92,-1.6 0, 0.0 42,-0.3 0.631 68.3 63.9 -67.8 -19.4 24.4 23.8 29.6 68 29 B W T 3 S+ 0 0 7 90,-0.2 17,-2.0 92,-0.1 2,-0.3 0.439 76.2 113.3 -86.3 -1.9 24.5 21.4 26.7 69 30 B Q E < -L 84 0E 9 -3,-1.4 40,-0.6 15,-0.2 2,-0.3 -0.558 43.8-177.9 -74.1 137.2 20.8 21.0 26.5 70 31 B A E -LM 83 108E 1 13,-1.9 13,-1.4 -2,-0.3 2,-0.4 -0.826 12.3-149.5-128.6 164.6 19.2 22.4 23.4 71 32 B L E -LM 82 107E 2 36,-1.7 36,-2.8 11,-0.3 2,-0.5 -0.983 8.7-140.6-144.4 123.7 15.5 22.6 22.3 72 33 B L E -LM 81 106E 0 9,-2.2 8,-2.2 -2,-0.4 9,-0.8 -0.760 22.8-162.0 -84.5 128.2 14.0 22.5 18.8 73 34 B I E -LM 79 105E 1 32,-2.7 32,-2.5 -2,-0.5 6,-0.2 -0.928 7.7-138.1-118.1 131.4 11.1 24.9 18.5 74 35 B N E > - M 0 104E 27 4,-2.1 3,-2.4 -2,-0.4 4,-0.3 -0.159 46.5 -75.7 -72.9-179.1 8.4 24.8 15.8 75 36 B E T 3 S+ 0 0 101 28,-0.7 29,-0.1 1,-0.3 -1,-0.1 0.741 133.3 53.0 -51.9 -27.6 7.0 27.8 13.8 76 37 B E T 3 S- 0 0 122 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.079 122.1-104.5 -97.7 22.1 4.9 28.8 16.9 77 38 B N S < S+ 0 0 106 -3,-2.4 2,-0.5 1,-0.2 -2,-0.2 0.840 72.6 146.4 58.9 41.6 7.9 28.8 19.2 78 39 B E - 0 0 107 -4,-0.3 -4,-2.1 2,-0.0 -1,-0.2 -0.925 49.3-127.4-114.0 123.3 7.0 25.5 20.8 79 40 B G E +L 73 0E 22 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.463 36.5 162.1 -66.6 132.6 9.6 23.0 22.0 80 41 B F E + 0 0 24 -8,-2.2 2,-0.3 1,-0.5 157,-0.3 0.362 64.2 3.5-131.6 -2.9 8.9 19.6 20.6 81 42 B f E -L 72 0E 0 -9,-0.8 -9,-2.2 157,-0.1 -1,-0.5 -0.943 66.6-132.0-170.5 168.2 12.3 17.8 21.0 82 43 B G E -L 71 0E 1 157,-2.5 12,-0.4 -2,-0.3 -11,-0.3 -0.488 16.2-170.5-119.6-167.3 15.7 18.5 22.5 83 44 B G E -L 70 0E 0 -13,-1.4 -13,-1.9 -2,-0.2 2,-0.4 -0.946 23.6-107.0-170.8 178.4 19.3 18.1 21.5 84 45 B T E -LN 69 92E 0 8,-1.8 8,-2.7 -2,-0.3 2,-0.6 -0.973 27.8-122.9-125.3 136.3 22.8 18.3 22.7 85 46 B I E + N 0 91E 0 -17,-2.0 76,-2.5 -2,-0.4 6,-0.2 -0.751 33.0 171.5 -78.8 117.7 25.3 21.1 21.9 86 47 B L - 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