==== 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 1NFX . COMPND 2 MOLECULE: COAGULATION FACTOR XA, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU . 287 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 60.3 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.3 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 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 . 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 16 A I 0 0 0 0, 0.0 2,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 122.7 10.7 14.1 32.4 2 17 A V B -A 179 0A 10 177,-3.6 177,-1.3 142,-0.0 2,-0.2 -0.840 360.0 -19.3 -96.8 128.8 8.7 12.2 34.9 3 18 A G S S+ 0 0 31 -2,-0.5 175,-0.1 130,-0.4 142,-0.1 -0.524 96.3 103.9 74.5-143.6 9.9 12.7 38.5 4 19 A G S S- 0 0 22 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.077 70.4 -79.6 63.7-166.9 13.4 14.0 38.6 5 20 A Q E -B 145 0B 140 140,-2.7 140,-3.2 3,-0.0 2,-0.2 -0.856 38.8 -88.0-133.9 167.4 14.4 17.5 39.4 6 21 A E E -B 144 0B 66 -2,-0.3 2,-0.6 138,-0.2 138,-0.3 -0.490 46.6-112.0 -71.0 140.9 14.6 21.0 37.9 7 22 A a - 0 0 2 136,-2.8 136,-0.2 -2,-0.2 3,-0.1 -0.679 39.6-141.4 -74.5 122.6 18.0 21.7 36.2 8 23 A K > - 0 0 101 -2,-0.6 3,-2.5 1,-0.2 4,-0.5 -0.297 42.5 -53.6 -79.7 169.6 19.4 24.4 38.4 9 24 A D T 3 S- 0 0 88 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.185 125.3 -4.1 -48.9 119.3 21.4 27.4 37.1 10 25 A G T 3 S+ 0 0 1 -3,-0.1 276,-1.4 2,-0.1 -1,-0.3 0.491 101.3 113.2 75.9 5.8 24.2 26.2 34.9 11 26 A E S < S+ 0 0 52 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.796 82.3 28.6 -79.5 -33.0 23.6 22.5 35.5 12 27 A a > + 0 0 10 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.406 69.0 151.8-128.4 58.4 22.5 21.4 32.0 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.3 0.625 67.1 62.3 -63.3 -18.5 24.3 23.8 29.6 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.5 -3,-0.1 2,-0.3 0.425 75.3 116.9 -89.9 -1.5 24.4 21.3 26.7 15 30 A Q E < -J 30 0C 9 -3,-1.6 40,-0.7 15,-0.2 2,-0.3 -0.525 42.7-174.9 -72.2 131.3 20.6 21.1 26.4 16 31 A A E -JK 29 54C 0 13,-2.1 13,-1.2 -2,-0.3 2,-0.4 -0.848 12.0-146.0-120.7 158.4 19.2 22.3 23.1 17 32 A L E -JK 28 53C 5 36,-2.1 36,-2.8 -2,-0.3 2,-0.5 -0.980 6.0-143.3-133.3 122.4 15.6 22.7 22.1 18 33 A L E -JK 27 52C 0 9,-2.1 8,-2.3 -2,-0.4 9,-0.9 -0.714 25.6-168.8 -82.6 126.0 14.1 22.2 18.7 19 34 A I E -JK 25 51C 4 32,-2.8 32,-2.3 -2,-0.5 6,-0.2 -0.921 10.1-137.6-119.4 143.8 11.3 24.7 18.1 20 35 A N E > - K 0 50C 29 4,-1.8 3,-2.7 -2,-0.4 30,-0.2 -0.270 42.1 -82.7 -89.3-179.0 8.7 24.8 15.4 21 36 A E T 3 S+ 0 0 126 28,-0.8 29,-0.1 1,-0.3 -1,-0.1 0.707 131.2 54.9 -56.1 -22.3 7.3 27.7 13.3 22 37 A E T 3 S- 0 0 131 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.284 117.8-112.9 -96.1 9.5 4.9 28.4 16.2 23 38 A N S < S+ 0 0 106 -3,-2.7 2,-0.4 1,-0.2 -2,-0.1 0.637 72.3 132.3 71.3 17.8 7.8 28.6 18.7 24 39 A E - 0 0 116 2,-0.0 -4,-1.8 1,-0.0 -1,-0.2 -0.864 58.8-119.0-104.4 133.3 6.9 25.5 20.7 25 40 A G E +J 19 0C 23 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.441 35.5 168.0 -67.4 139.4 9.6 22.9 21.6 26 41 A F E + 0 0 24 -8,-2.3 2,-0.3 1,-0.4 157,-0.2 0.477 62.6 9.5-129.1 -10.6 8.9 19.5 20.1 27 42 A b E -J 18 0C 0 -9,-0.9 -9,-2.1 157,-0.1 -1,-0.4 -0.961 68.2-121.6-159.2 169.6 12.2 17.6 20.7 28 43 A G E -J 17 0C 2 157,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.494 21.2-175.3-111.1-176.2 15.6 18.0 22.4 29 44 A G E -J 16 0C 0 -13,-1.2 -13,-2.1 -2,-0.2 2,-0.4 -0.970 22.1-119.0-168.0 170.6 19.2 18.0 21.4 30 45 A T E -JL 15 38C 0 8,-2.1 8,-2.8 -2,-0.3 2,-0.5 -0.992 24.3-126.4-127.3 131.9 22.8 18.1 22.7 31 46 A I E + L 0 37C 0 -17,-2.5 76,-2.2 -2,-0.4 6,-0.2 -0.666 31.9 171.0 -76.3 122.7 25.2 20.9 22.0 32 47 A L - 0 0 8 4,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.701 64.5 -24.0-101.7 -31.7 28.4 19.1 20.6 33 48 A S S S- 0 0 34 3,-1.4 -1,-0.3 72,-0.1 65,-0.1 -0.915 81.6 -72.8-163.2-175.0 30.2 22.2 19.5 34 49 A E S S+ 0 0 97 -2,-0.3 64,-2.4 1,-0.2 3,-0.0 0.789 132.3 28.7 -65.7 -24.4 29.7 25.8 18.4 35 50 A F S S+ 0 0 46 62,-0.2 59,-2.5 1,-0.1 2,-0.4 0.572 111.2 74.5-111.1 -11.3 28.3 24.7 15.1 36 51 A Y E - M 0 93C 10 57,-0.2 -4,-2.9 62,-0.1 -3,-1.4 -0.907 44.8-174.6-122.9 135.2 26.8 21.2 15.8 37 52 A I E -LM 31 92C 0 55,-2.3 55,-2.9 -2,-0.4 2,-0.5 -0.931 17.3-146.6-115.9 136.6 23.7 19.8 17.6 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.891 34.6 148.9-102.2 130.6 23.1 16.1 18.1 39 54 A T E - M 0 90C 0 51,-2.8 51,-2.2 -2,-0.5 2,-0.4 -0.819 47.6 -75.4-147.3-174.5 19.5 14.9 18.0 40 55 A A >> - 0 0 0 -12,-0.4 3,-1.4 -2,-0.2 4,-0.6 -0.772 28.6-140.2 -92.7 136.8 17.1 12.0 17.1 41 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.789 101.7 63.0 -64.1 -29.4 16.4 11.3 13.4 42 57 A H G >4 S+ 0 0 18 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.616 93.5 64.5 -72.4 -10.1 12.8 10.6 14.2 43 58 A b G X4 S+ 0 0 0 -3,-1.4 3,-2.7 1,-0.2 -1,-0.2 0.795 84.1 72.1 -80.4 -29.4 12.4 14.2 15.4 44 59 A L G << S+ 0 0 31 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.244 93.1 60.0 -70.2 15.9 13.1 15.5 11.9 45 60 A Y G < S+ 0 0 119 -3,-0.6 -1,-0.3 1,-0.0 -2,-0.2 0.207 87.4 74.9-123.0 6.3 9.7 14.2 11.1 46 61 A Q S < S+ 0 0 97 -3,-2.7 2,-0.3 1,-0.2 -2,-0.2 0.429 103.0 22.3-100.8 -1.3 8.0 16.5 13.7 47 61AA A - 0 0 24 -4,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.910 52.6-147.9-167.2 136.9 8.2 19.8 11.8 48 62 A K S S+ 0 0 200 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.838 99.9 21.6 -72.1 -34.3 8.6 21.0 8.2 49 63 A R S S+ 0 0 168 -3,-0.1 -28,-0.8 2,-0.0 2,-0.3 -1.000 78.0 154.4-137.6 132.8 10.5 24.0 9.5 50 64 A F E -K 20 0C 31 -2,-0.4 21,-0.5 -30,-0.2 2,-0.3 -0.977 21.2-156.0-153.1 164.7 12.3 24.3 12.8 51 65 A K E -KN 19 70C 78 -32,-2.3 -32,-2.8 -2,-0.3 2,-0.5 -0.824 24.4-110.5-134.7 173.0 15.1 26.2 14.7 52 66 A V E -KN 18 69C 0 17,-3.2 17,-3.3 -2,-0.3 2,-0.4 -0.938 22.0-164.9-116.3 128.4 17.3 25.5 17.7 53 67 A R E -KN 17 68C 28 -36,-2.8 -36,-2.1 -2,-0.5 2,-0.3 -0.923 9.5-175.6-111.4 132.6 17.1 27.3 21.0 54 68 A V E +KN 16 67C 1 13,-2.3 13,-1.6 -2,-0.4 -38,-0.1 -0.821 59.5 35.1-121.2 162.1 20.0 27.1 23.5 55 69 A G S S+ 0 0 9 -40,-0.7 2,-0.3 48,-0.5 10,-0.2 0.640 79.1 138.9 72.6 16.2 20.3 28.5 27.1 56 70 A D + 0 0 13 -41,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.715 16.0 153.3 -96.7 143.3 16.6 28.1 28.0 57 71 A R S S+ 0 0 69 -2,-0.3 86,-2.3 1,-0.1 2,-0.3 0.459 76.1 32.0-138.0 -19.7 15.4 26.8 31.4 58 72 A N B > -P 142 0D 35 3,-0.2 3,-1.7 84,-0.2 84,-0.2 -0.780 60.0-167.4-146.7 93.6 11.9 28.4 31.8 59 73 A T T 3 S+ 0 0 59 82,-1.9 83,-0.1 -2,-0.3 -1,-0.1 0.559 81.3 74.8 -60.8 -6.7 10.1 28.8 28.5 60 74 A E T 3 S+ 0 0 133 81,-0.5 2,-0.3 1,-0.0 -1,-0.3 0.394 107.4 12.8 -88.7 1.5 7.6 31.0 30.4 61 75 A Q S < S- 0 0 151 -3,-1.7 2,-0.7 0, 0.0 -3,-0.2 -0.960 80.9-105.2-164.7 164.7 9.8 34.1 30.7 62 76 A E - 0 0 169 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.1 -0.867 22.8-177.9-109.5 107.6 13.1 35.3 29.2 63 77 A E - 0 0 126 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.1 0.810 48.8-118.2 -67.1 -29.6 16.2 35.2 31.5 64 78 A G S S+ 0 0 61 -9,-0.1 -1,-0.1 0, 0.0 -8,-0.1 0.197 95.5 91.3 111.6 -15.0 18.2 36.7 28.7 65 79 A G + 0 0 1 -10,-0.2 -9,-0.1 2,-0.0 36,-0.1 0.458 60.9 110.6 -91.5 -0.6 20.7 33.9 28.1 66 80 A E - 0 0 33 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.304 44.0-174.8 -71.0 156.4 18.6 32.3 25.4 67 81 A A E -N 54 0C 35 -13,-1.6 -13,-2.3 2,-0.0 2,-0.4 -0.927 14.9-145.9-156.1 126.4 19.7 32.3 21.8 68 82 A V E -N 53 0C 77 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.799 18.0-167.0 -97.3 138.4 17.8 31.0 18.8 69 83 A H E -N 52 0C 14 -17,-3.3 -17,-3.2 -2,-0.4 2,-0.2 -0.983 14.4-134.6-129.5 136.7 19.8 29.5 15.9 70 84 A E E -N 51 0C 75 -2,-0.4 25,-2.3 -19,-0.2 2,-0.4 -0.588 25.8-118.1 -86.2 148.9 18.8 28.6 12.4 71 85 A V E -O 94 0C 28 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.735 25.3-177.5 -91.3 131.0 19.8 25.3 10.9 72 86 A E E S+ 0 0 103 21,-3.3 2,-0.3 -2,-0.4 22,-0.2 0.821 71.7 8.2 -92.6 -38.4 22.0 25.3 7.8 73 87 A V E -O 93 0C 58 20,-1.7 20,-2.6 2,-0.0 2,-0.5 -0.998 60.5-148.3-146.9 141.3 22.2 21.6 7.1 74 88 A V E -O 92 0C 74 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.951 10.8-166.0-110.6 125.4 20.4 18.5 8.4 75 89 A I E -O 91 0C 39 16,-3.1 16,-3.1 -2,-0.5 2,-0.3 -0.889 11.5-179.6-116.4 100.0 22.5 15.3 8.5 76 90 A K E -O 90 0C 83 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.764 38.4-101.4 -98.1 141.7 20.2 12.2 9.1 77 91 A H > - 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