==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-DEC-02 1NFW . COMPND 2 MOLECULE: COAGULATION FACTOR XA, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU . 285 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.8 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 30.2 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 . 17 6.0 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 . 3 1.1 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 1 0 1 2 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 . 4 4 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 16 A I 0 0 0 0, 0.0 2,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 121.1 10.6 14.0 32.0 2 17 A V B -A 179 0A 9 177,-3.5 177,-1.6 142,-0.1 2,-0.2 -0.809 360.0 -21.3 -90.2 121.4 8.4 12.1 34.4 3 18 A G S S+ 0 0 24 -2,-0.6 175,-0.1 130,-0.5 142,-0.1 -0.526 93.9 105.4 79.1-147.6 9.6 12.8 37.9 4 19 A G S S- 0 0 23 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.180 72.3 -82.0 67.5-165.4 13.2 13.9 38.4 5 20 A Q E -B 145 0B 146 140,-2.2 140,-3.3 3,-0.0 2,-0.2 -0.860 42.9 -92.0-132.5 166.0 14.0 17.5 39.2 6 21 A E E -B 144 0B 65 -2,-0.3 2,-0.3 138,-0.3 138,-0.3 -0.564 46.8-101.8 -82.0 147.6 14.4 20.7 37.2 7 22 A a - 0 0 2 136,-2.0 136,-0.1 -2,-0.2 3,-0.1 -0.540 40.6-139.4 -66.8 124.4 17.9 21.5 35.9 8 23 A K > - 0 0 104 -2,-0.3 3,-2.5 1,-0.2 4,-0.4 -0.341 46.6 -53.1 -80.2 168.7 19.2 24.2 38.1 9 24 A D T 3 S- 0 0 87 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.154 125.5 -3.0 -47.0 120.6 21.2 27.2 36.7 10 25 A G T 3 S+ 0 0 1 -3,-0.1 274,-1.5 2,-0.1 -1,-0.3 0.536 101.5 112.6 74.4 8.4 24.0 26.0 34.5 11 26 A E S < S+ 0 0 59 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.706 82.7 27.4 -85.8 -24.6 23.4 22.3 35.1 12 27 A a > + 0 0 6 -4,-0.4 3,-1.4 1,-0.1 -1,-0.2 -0.419 69.3 149.7-134.6 58.3 22.2 21.2 31.7 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.3 0.645 67.2 63.3 -68.2 -15.3 23.9 23.6 29.3 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.6 92,-0.1 2,-0.3 0.446 76.6 114.8 -88.0 -2.2 24.1 21.0 26.4 15 30 A Q E < -J 30 0C 7 -3,-1.4 40,-0.6 15,-0.2 2,-0.3 -0.558 43.3-179.0 -73.3 129.0 20.4 20.8 26.2 16 31 A A E -JK 29 54C 0 13,-2.2 13,-1.2 -2,-0.3 2,-0.4 -0.828 14.5-145.1-121.0 160.9 19.0 22.1 22.9 17 32 A L E -JK 28 53C 3 36,-2.3 36,-2.8 -2,-0.3 2,-0.5 -0.977 6.3-142.5-135.3 122.3 15.3 22.3 21.9 18 33 A L E -JK 27 52C 0 9,-2.0 8,-2.3 -2,-0.4 9,-1.0 -0.708 26.7-167.3 -81.7 127.1 13.9 21.8 18.4 19 34 A I E -JK 25 51C 4 32,-2.7 32,-2.1 -2,-0.5 6,-0.2 -0.941 9.8-137.7-120.9 140.4 11.0 24.3 17.9 20 35 A N E > - K 0 50C 43 4,-2.4 3,-2.6 -2,-0.4 30,-0.2 -0.162 45.2 -77.1 -84.1-177.3 8.4 24.4 15.2 21 36 A E T 3 S+ 0 0 131 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.757 132.3 53.0 -51.6 -30.2 7.0 27.4 13.2 22 37 A E T 3 S- 0 0 166 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.189 119.0-109.6 -93.9 16.3 4.9 28.4 16.2 23 38 A N S < S+ 0 0 101 -3,-2.6 2,-0.4 1,-0.2 -2,-0.1 0.690 73.3 138.0 66.2 21.2 7.9 28.4 18.6 24 39 A E - 0 0 100 -4,-0.0 -4,-2.4 2,-0.0 -1,-0.2 -0.833 54.7-122.5-100.4 134.4 6.7 25.2 20.4 25 40 A G E +J 19 0C 11 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.508 35.3 166.3 -73.5 141.1 9.3 22.6 21.3 26 41 A F E + 0 0 18 -8,-2.3 157,-0.3 1,-0.3 2,-0.3 0.392 62.9 12.3-132.7 -4.2 8.7 19.1 19.9 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-2.0 157,-0.1 -1,-0.3 -0.978 67.6-119.6-163.6 168.6 12.0 17.4 20.4 28 43 A G E -J 17 0C 1 157,-4.6 12,-0.4 -2,-0.3 2,-0.3 -0.519 21.1-176.6-110.8-179.5 15.3 17.6 22.2 29 44 A G E -J 16 0C 0 -13,-1.2 -13,-2.2 -2,-0.2 2,-0.4 -0.960 22.0-121.4-166.5 167.4 19.0 17.8 21.1 30 45 A T E -JL 15 38C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.5 -0.985 24.4-124.1-124.3 132.9 22.5 17.9 22.5 31 46 A I E + L 0 37C 0 -17,-2.6 76,-2.3 -2,-0.4 6,-0.2 -0.647 33.8 169.9 -75.6 120.2 25.0 20.6 21.8 32 47 A L - 0 0 10 4,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.715 64.2 -25.3-100.9 -29.6 28.1 18.9 20.4 33 48 A S S S- 0 0 28 3,-1.5 -1,-0.4 72,-0.1 65,-0.1 -0.942 80.9 -73.0-167.0-178.7 30.0 22.0 19.3 34 49 A E S S+ 0 0 96 -2,-0.3 64,-2.5 1,-0.2 60,-0.0 0.805 133.0 29.0 -61.5 -25.1 29.5 25.6 18.2 35 50 A F S S+ 0 0 48 62,-0.2 59,-2.3 1,-0.1 2,-0.4 0.608 110.9 73.2-110.5 -13.9 28.1 24.3 14.9 36 51 A Y E - M 0 93C 5 57,-0.2 -4,-2.9 62,-0.1 -3,-1.5 -0.891 44.4-175.5-121.2 138.0 26.5 20.9 15.7 37 52 A I E -LM 31 92C 0 55,-2.2 55,-3.0 -2,-0.4 2,-0.5 -0.950 18.4-145.7-117.9 135.5 23.5 19.6 17.4 38 53 A L E +LM 30 91C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.884 33.5 153.2-101.9 130.8 22.9 15.9 17.9 39 54 A T E - M 0 90C 0 51,-3.5 51,-2.6 -2,-0.5 2,-0.5 -0.800 46.8 -77.2-143.5-174.7 19.3 14.7 17.7 40 55 A A >> - 0 0 0 -12,-0.4 3,-1.8 49,-0.2 4,-0.6 -0.800 29.6-140.6 -92.9 130.1 17.0 11.8 16.9 41 56 A A H >> S+ 0 0 0 -2,-0.5 3,-1.2 1,-0.3 4,-0.6 0.853 102.3 61.9 -56.3 -37.6 16.4 11.1 13.2 42 57 A H H 34 S+ 0 0 20 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.689 92.8 65.9 -64.7 -16.7 12.8 10.3 13.9 43 58 A b H X4 S+ 0 0 0 -3,-1.8 3,-1.5 1,-0.2 -1,-0.3 0.805 91.4 61.9 -74.3 -28.5 12.3 13.9 15.2 44 59 A L H X< S+ 0 0 25 -3,-1.2 3,-1.0 -4,-0.6 -1,-0.2 0.806 95.9 60.2 -66.1 -29.2 13.0 15.3 11.7 45 60 A Y T 3< S+ 0 0 156 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.213 95.1 69.4 -82.7 16.5 9.9 13.4 10.5 46 61 A Q T < S+ 0 0 90 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.434 103.5 22.8-113.6 -4.1 7.9 15.5 13.0 47 61AA A < - 0 0 25 -3,-1.0 -1,-0.3 1,-0.2 3,-0.1 -0.929 57.1-141.3-165.4 139.4 8.0 19.0 11.5 48 62 A K S S+ 0 0 206 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.996 92.7 12.2 -63.4 -68.2 8.6 20.7 8.1 49 63 A R S S+ 0 0 129 2,-0.0 -28,-0.5 0, 0.0 2,-0.3 -0.929 77.3 160.4-115.7 139.2 10.6 23.7 9.2 50 64 A F E -K 20 0C 18 -2,-0.4 21,-0.5 -30,-0.2 2,-0.3 -0.970 22.2-151.2-151.4 163.6 12.2 24.0 12.6 51 65 A K E -KN 19 70C 95 -32,-2.1 -32,-2.7 -2,-0.3 2,-0.4 -0.815 22.8-114.7-130.2 171.9 14.9 25.9 14.4 52 66 A V E -KN 18 69C 0 17,-2.9 17,-3.0 -2,-0.3 2,-0.4 -0.938 21.4-161.7-116.2 131.7 17.1 25.1 17.5 53 67 A R E +KN 17 68C 25 -36,-2.8 -36,-2.3 -2,-0.4 2,-0.3 -0.920 10.9 179.9-112.5 137.5 16.9 26.9 20.8 54 68 A V E +KN 16 67C 1 13,-2.2 13,-1.9 -2,-0.4 -38,-0.1 -0.862 58.6 38.2-128.8 163.8 19.7 26.8 23.4 55 69 A G S S+ 0 0 8 -40,-0.6 2,-0.3 48,-0.6 10,-0.3 0.617 80.8 135.9 72.6 12.8 20.2 28.3 26.8 56 70 A D + 0 0 14 -41,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.740 17.3 152.4 -97.2 141.4 16.5 27.9 27.7 57 71 A R S S+ 0 0 42 -2,-0.3 86,-2.3 4,-0.2 2,-0.3 0.451 75.8 37.4-136.0 -22.0 15.3 26.6 31.1 58 72 A N B > -P 142 0D 10 3,-0.3 3,-1.1 84,-0.2 84,-0.2 -0.805 61.5-165.0-139.3 93.5 11.8 28.3 31.4 59 73 A T T 3 S+ 0 0 57 82,-2.0 83,-0.1 -2,-0.3 3,-0.1 0.516 87.6 62.7 -57.1 -4.0 9.9 28.5 28.2 60 74 A E T 3 S+ 0 0 151 81,-0.4 -1,-0.3 1,-0.2 2,-0.1 -0.123 104.6 39.9-115.6 37.7 7.6 31.0 29.9 61 75 A Q S < S- 0 0 93 -3,-1.1 2,-1.1 0, 0.0 -3,-0.3 -0.525 77.2-127.1 177.0 109.2 10.1 33.8 30.6 62 76 A E - 0 0 160 1,-0.2 -3,-0.1 -2,-0.1 -6,-0.1 -0.519 27.3-178.6 -67.1 99.7 12.9 35.1 28.5 63 77 A E - 0 0 111 -2,-1.1 -1,-0.2 -5,-0.2 -7,-0.1 0.726 43.4-115.4 -72.6 -25.0 15.8 34.9 31.0 64 78 A G S S+ 0 0 53 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.148 98.7 85.9 111.5 -20.5 18.2 36.3 28.4 65 79 A G + 0 0 6 -10,-0.3 -9,-0.1 2,-0.0 -11,-0.1 0.558 65.0 112.6 -89.2 -7.5 20.6 33.4 27.9 66 80 A E - 0 0 26 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.328 42.4-177.7 -67.8 144.8 18.4 32.0 25.2 67 81 A A E -N 54 0C 34 -13,-1.9 -13,-2.2 -2,-0.1 2,-0.4 -0.973 15.5-149.3-147.1 125.9 19.5 31.9 21.5 68 82 A V E -N 53 0C 72 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.801 18.3-166.8 -96.7 137.5 17.5 30.6 18.5 69 83 A H E -N 52 0C 15 -17,-3.0 -17,-2.9 -2,-0.4 2,-0.2 -0.988 15.5-131.7-130.5 137.0 19.6 29.2 15.7 70 84 A E E -N 51 0C 81 -2,-0.4 25,-2.4 -19,-0.2 2,-0.5 -0.556 26.2-118.7 -83.5 149.7 18.6 28.3 12.1 71 85 A V E -O 94 0C 8 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.779 24.0-174.3 -93.0 124.1 19.6 24.9 10.7 72 86 A E E S- 0 0 109 21,-3.0 2,-0.3 -2,-0.5 22,-0.2 0.950 71.8 -0.5 -79.2 -54.3 21.9 25.0 7.7 73 87 A V E -O 93 0C 54 20,-1.6 20,-2.5 2,-0.0 2,-0.4 -0.997 61.7-143.0-141.7 143.3 21.9 21.3 6.9 74 88 A V E -O 92 0C 66 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.878 10.7-160.9-104.5 136.4 20.3 18.2 8.4 75 89 A I E -O 91 0C 30 16,-2.6 16,-2.3 -2,-0.4 2,-0.3 -0.844 11.4-175.8-123.1 94.8 22.2 15.0 8.4 76 90 A K E -O 90 0C 64 -2,-0.5 14,-0.2 14,-0.2 2,-0.2 -0.623 37.3-100.0 -87.1 144.4 20.0 11.9 8.9 77 91 A H > - 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