==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAY-00 1F0S . COMPND 2 MOLECULE: COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU,S.POUZIEUX,Y.M.CHOI-SLEDESKI, . 285 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 62.5 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 . 85 29.8 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 . 31 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 6.7 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 3 0 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 1 3 6 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 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 16 A I 0 0 0 0, 0.0 2,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 124.3 10.5 14.1 31.8 2 17 A V B -A 179 0A 13 177,-3.5 177,-1.7 142,-0.1 2,-0.2 -0.764 360.0 -23.8 -88.1 120.8 8.4 12.2 34.3 3 18 A G S S+ 0 0 23 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.503 94.2 101.9 79.0-149.5 9.5 12.8 37.8 4 19 A G S S- 0 0 17 -2,-0.2 2,-0.2 140,-0.1 142,-0.2 -0.099 75.3 -74.5 63.8-168.8 13.1 13.9 38.3 5 20 A Q E -B 145 0B 128 140,-2.2 140,-4.1 3,-0.0 2,-0.3 -0.747 41.6 -98.7-121.3 168.6 14.1 17.5 39.0 6 21 A E E -B 144 0B 64 138,-0.3 138,-0.3 -2,-0.2 2,-0.3 -0.643 47.9-100.9 -85.9 147.5 14.3 20.6 36.9 7 22 A a - 0 0 2 136,-1.9 136,-0.2 -2,-0.3 2,-0.1 -0.523 39.3-140.2 -67.7 129.7 17.8 21.5 35.7 8 23 A K > - 0 0 106 -2,-0.3 3,-2.6 1,-0.2 4,-0.4 -0.455 48.6 -49.9 -86.4 166.0 19.2 24.3 37.9 9 24 A D T 3 S- 0 0 91 1,-0.3 -1,-0.2 -2,-0.1 93,-0.0 -0.032 126.5 -5.6 -38.1 118.4 21.2 27.2 36.5 10 25 A G T 3 S+ 0 0 1 -3,-0.1 274,-1.2 2,-0.1 -1,-0.3 0.611 100.0 114.7 69.5 15.8 24.0 25.8 34.3 11 26 A E S < S+ 0 0 60 -3,-2.6 -2,-0.1 1,-0.2 3,-0.1 0.723 84.4 27.2 -88.8 -25.6 23.3 22.2 35.0 12 27 A a S > S+ 0 0 8 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.407 70.6 151.2-133.5 57.4 22.2 21.0 31.6 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.3 0, 0.0 42,-0.3 0.741 68.9 61.9 -61.5 -25.3 24.0 23.5 29.3 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-2.8 92,-0.1 2,-0.3 0.470 76.4 116.5 -81.9 -2.7 24.1 21.0 26.4 15 30 A Q E < -J 30 0C 7 -3,-1.8 40,-0.7 15,-0.2 2,-0.3 -0.509 41.9-179.6 -71.4 130.9 20.4 20.8 26.2 16 31 A A E -JK 29 54C 1 13,-2.1 13,-1.5 -2,-0.3 2,-0.4 -0.874 14.1-146.2-124.3 158.3 19.0 22.1 22.9 17 32 A L E -JK 28 53C 3 36,-2.6 36,-3.4 -2,-0.3 2,-0.6 -0.996 6.3-143.1-131.4 133.9 15.4 22.3 21.8 18 33 A L E -JK 27 52C 0 9,-2.4 8,-2.3 -2,-0.4 9,-1.1 -0.860 26.2-166.3 -93.6 122.5 13.9 21.8 18.3 19 34 A I E -JK 25 51C 3 32,-2.8 32,-2.4 -2,-0.6 6,-0.2 -0.909 8.5-137.1-115.2 141.4 11.0 24.2 17.9 20 35 A N E > - K 0 50C 41 4,-2.4 3,-3.0 -2,-0.4 30,-0.2 -0.177 43.6 -78.0 -84.8 180.0 8.4 24.3 15.1 21 36 A E T 3 S+ 0 0 134 28,-0.7 29,-0.1 1,-0.3 -1,-0.1 0.717 132.7 51.6 -51.3 -25.1 6.9 27.1 13.1 22 37 A E T 3 S- 0 0 150 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.243 118.1-111.9 -98.8 12.7 4.7 28.1 16.1 23 38 A N S < S+ 0 0 96 -3,-3.0 2,-0.4 1,-0.2 -2,-0.1 0.550 73.2 135.2 70.4 11.2 7.7 28.2 18.4 24 39 A E - 0 0 124 1,-0.0 -4,-2.4 2,-0.0 -1,-0.2 -0.729 57.6-119.3 -91.2 137.9 6.6 25.1 20.4 25 40 A G E +J 19 0C 21 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.541 35.7 168.4 -76.1 140.9 9.2 22.5 21.2 26 41 A F E + 0 0 20 -8,-2.3 157,-0.3 1,-0.4 2,-0.3 0.513 63.6 10.4-126.8 -14.8 8.6 19.1 19.8 27 42 A b E -J 18 0C 0 -9,-1.1 -9,-2.4 157,-0.1 -1,-0.4 -0.956 69.2-120.0-155.5 169.5 11.9 17.3 20.3 28 43 A G E -J 17 0C 2 157,-4.1 12,-0.4 -2,-0.3 2,-0.3 -0.484 19.5-167.4-108.6-177.8 15.2 17.7 22.1 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.1 -2,-0.2 2,-0.4 -0.948 18.0-126.7-160.7 168.3 18.8 17.9 21.0 30 45 A T E -JL 15 38C 0 8,-1.6 8,-2.8 -2,-0.3 2,-0.6 -0.998 25.5-123.7-127.9 127.8 22.3 17.8 22.5 31 46 A I E + L 0 37C 0 -17,-2.8 76,-2.6 -2,-0.4 6,-0.2 -0.601 33.9 170.1 -73.5 118.1 24.9 20.5 21.8 32 47 A L - 0 0 13 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.775 65.2 -29.3 -95.3 -35.8 27.9 18.7 20.3 33 48 A S S S- 0 0 26 3,-1.6 -1,-0.4 72,-0.1 65,-0.1 -0.937 80.4 -69.5-165.1-177.3 29.8 21.9 19.2 34 49 A E S S+ 0 0 97 -2,-0.3 64,-3.0 1,-0.2 3,-0.1 0.724 133.0 26.8 -60.8 -20.5 29.3 25.5 18.1 35 50 A F S S+ 0 0 44 62,-0.2 59,-2.7 1,-0.1 2,-0.4 0.596 111.3 74.4-116.8 -15.2 27.8 24.2 14.8 36 51 A Y E - M 0 93C 9 57,-0.2 -4,-2.6 62,-0.1 -3,-1.6 -0.877 46.0-173.4-118.4 137.8 26.4 20.8 15.6 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.8 -2,-0.4 2,-0.6 -0.964 17.5-145.1-119.5 131.2 23.3 19.4 17.3 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-1.6 -2,-0.4 53,-0.2 -0.866 35.6 152.6 -98.1 121.7 22.8 15.7 17.9 39 54 A T E - M 0 90C 0 51,-3.0 51,-2.1 -2,-0.6 2,-0.5 -0.702 48.1 -79.1-135.2-173.0 19.2 14.7 17.7 40 55 A A >> - 0 0 0 -12,-0.4 3,-1.8 49,-0.2 4,-0.5 -0.816 29.3-140.7 -93.5 129.9 16.9 11.8 16.9 41 56 A A G >4 S+ 0 0 0 -2,-0.5 3,-1.1 1,-0.3 4,-0.2 0.828 101.0 64.0 -58.4 -33.3 16.4 11.1 13.2 42 57 A H G >4 S+ 0 0 25 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.615 92.2 64.2 -67.8 -11.8 12.7 10.3 13.9 43 58 A b G X> S+ 0 0 1 -3,-1.8 3,-1.8 1,-0.2 4,-0.7 0.773 84.5 72.7 -81.1 -26.4 12.2 13.9 15.0 44 59 A L G << S+ 0 0 27 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.571 98.0 51.2 -64.2 -7.1 12.9 15.2 11.5 45 60 A Y G <4 S+ 0 0 128 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.532 92.0 76.7-103.1 -13.6 9.5 13.8 10.6 46 61 A Q T <4 S+ 0 0 104 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.826 106.6 16.7 -67.0 -32.7 7.8 15.6 13.5 47 61AA A < - 0 0 21 -4,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.998 57.5-142.8-147.0 148.6 7.9 18.9 11.7 48 62 A K S S+ 0 0 209 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.974 94.8 18.2 -70.1 -59.1 8.3 20.4 8.2 49 63 A R S S+ 0 0 172 2,-0.0 -28,-0.7 0, 0.0 2,-0.3 -0.938 79.2 152.7-117.3 140.1 10.2 23.6 9.2 50 64 A F E -K 20 0C 21 -2,-0.4 21,-0.6 -30,-0.2 2,-0.3 -0.985 24.5-152.0-159.2 164.9 12.0 24.0 12.6 51 65 A K E -KN 19 70C 85 -32,-2.4 -32,-2.8 -2,-0.3 2,-0.5 -0.814 24.1-111.2-133.7 174.5 14.8 25.7 14.4 52 66 A V E -KN 18 69C 0 17,-3.1 17,-2.8 -2,-0.3 2,-0.4 -0.952 23.5-164.2-117.3 121.2 17.1 24.9 17.4 53 67 A R E -KN 17 68C 27 -36,-3.4 -36,-2.6 -2,-0.5 2,-0.3 -0.857 11.3-177.4-103.6 136.8 16.8 26.9 20.6 54 68 A V E +KN 16 67C 1 13,-2.6 13,-1.8 -2,-0.4 -38,-0.1 -0.817 57.6 36.2-126.6 167.3 19.6 26.7 23.2 55 69 A G S S+ 0 0 7 -40,-0.7 2,-0.4 48,-0.6 10,-0.2 0.656 80.2 139.7 66.4 16.8 20.2 28.2 26.7 56 70 A D + 0 0 12 -41,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.761 16.5 153.4 -96.6 136.4 16.5 27.9 27.6 57 71 A R S S+ 0 0 52 -2,-0.4 86,-2.0 4,-0.2 2,-0.3 0.531 75.8 31.2-130.5 -23.1 15.3 26.7 31.0 58 72 A N B > -P 142 0D 16 3,-0.2 3,-1.4 84,-0.2 84,-0.2 -0.820 61.9-162.0-142.3 95.6 11.8 28.3 31.4 59 73 A T T 3 S+ 0 0 58 82,-2.0 3,-0.1 -2,-0.3 83,-0.1 0.406 88.6 64.0 -61.7 7.6 9.9 28.7 28.1 60 74 A E T 3 S+ 0 0 135 81,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.007 103.1 39.6-120.7 26.8 7.7 31.2 30.0 61 75 A Q S < S- 0 0 140 -3,-1.4 2,-1.0 0, 0.0 -1,-0.2 -0.525 78.4-128.6-176.1 100.7 10.2 33.9 30.8 62 76 A E - 0 0 186 1,-0.2 -3,-0.1 -2,-0.1 -6,-0.1 -0.397 28.1-177.0 -57.9 97.8 13.0 35.1 28.5 63 77 A E - 0 0 132 -2,-1.0 -1,-0.2 -5,-0.2 -7,-0.0 0.507 42.2-113.1 -78.4 -7.1 15.9 34.8 30.9 64 78 A G S S+ 0 0 62 1,-0.0 -2,-0.1 -3,-0.0 -1,-0.1 -0.162 100.4 82.6 106.3 -42.2 18.4 36.3 28.4 65 79 A G + 0 0 9 -10,-0.2 -9,-0.1 2,-0.0 -11,-0.1 0.580 65.6 116.4 -75.1 -8.3 20.7 33.3 27.7 66 80 A E - 0 0 35 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.234 40.0-179.5 -62.0 148.7 18.3 31.9 25.1 67 81 A A E -N 54 0C 34 -13,-1.8 -13,-2.6 2,-0.0 2,-0.4 -0.917 16.3-150.8-154.5 122.0 19.4 31.7 21.5 68 82 A V E -N 53 0C 73 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.786 17.4-165.7 -94.6 135.9 17.4 30.5 18.5 69 83 A H E -N 52 0C 15 -17,-2.8 -17,-3.1 -2,-0.4 2,-0.2 -0.984 15.1-132.6-129.2 132.8 19.4 29.0 15.6 70 84 A E E -N 51 0C 92 -2,-0.4 25,-2.1 -19,-0.2 2,-0.5 -0.516 26.8-119.4 -78.9 148.1 18.4 28.1 12.1 71 85 A V E +O 94 0C 26 -21,-0.6 23,-0.2 23,-0.2 3,-0.1 -0.767 28.7 178.7 -91.5 127.7 19.3 24.7 10.7 72 86 A E E S+ 0 0 110 21,-2.9 2,-0.4 -2,-0.5 22,-0.2 0.884 71.0 16.3 -91.0 -51.3 21.6 24.8 7.6 73 87 A V E -O 93 0C 52 20,-2.1 20,-2.0 2,-0.0 2,-0.6 -0.958 59.4-155.1-127.1 145.2 22.0 21.0 7.1 74 88 A V E -O 92 0C 68 -2,-0.4 2,-0.9 18,-0.2 18,-0.2 -0.955 11.7-167.7-118.4 107.2 20.1 18.0 8.4 75 89 A I E +O 91 0C 33 16,-3.5 16,-2.9 -2,-0.6 2,-0.2 -0.783 11.8 179.9-102.1 92.1 22.3 14.9 8.4 76 90 A K E -O 90 0C 69 -2,-0.9 2,-0.3 14,-0.3 14,-0.2 -0.575 38.8 -96.0 -87.2 149.6 20.0 11.9 9.0 77 91 A H > - 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