==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 08-AUG-00 1FJS . COMPND 2 MOLECULE: COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.ADLER,M.WHITLOW . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.5 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 . 86 30.1 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 . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 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 5 3 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,-0.7 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 127.7 10.3 14.5 32.6 2 17 A V B -A 179 0A 12 177,-3.3 177,-1.9 142,-0.0 2,-0.3 -0.904 360.0 -16.5 -95.2 111.2 8.0 12.6 35.0 3 18 A G S S+ 0 0 26 -2,-0.7 142,-0.1 130,-0.3 175,-0.1 -0.699 93.8 97.3 94.9-147.7 9.5 13.1 38.5 4 19 A G S S- 0 0 21 -2,-0.3 2,-0.3 143,-0.1 142,-0.2 -0.091 74.0 -77.9 57.8-155.8 13.1 14.3 39.0 5 20 A Q E -B 145 0B 99 140,-1.9 140,-2.7 3,-0.0 2,-0.1 -0.904 41.4 -84.3-140.3 167.5 13.9 17.9 39.7 6 21 A E E -B 144 0B 72 -2,-0.3 2,-0.5 138,-0.2 138,-0.3 -0.426 48.5-110.2 -70.1 144.4 14.2 21.3 38.1 7 22 A a - 0 0 0 136,-3.0 136,-0.2 50,-0.1 3,-0.1 -0.692 38.8-138.4 -74.7 125.5 17.6 22.0 36.6 8 23 A K > - 0 0 100 -2,-0.5 3,-2.8 1,-0.2 4,-0.4 -0.327 45.0 -52.9 -80.8 168.0 19.1 24.6 38.7 9 24 A D T 3 S- 0 0 79 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.166 126.5 -4.1 -47.4 114.1 21.0 27.6 37.4 10 25 A G T 3 S+ 0 0 0 -3,-0.1 275,-1.7 276,-0.1 -1,-0.3 0.471 99.1 115.8 81.4 5.4 23.8 26.3 35.1 11 26 A E S < S+ 0 0 49 -3,-2.8 -2,-0.1 1,-0.2 3,-0.1 0.711 81.9 29.2 -79.2 -28.9 23.1 22.6 35.7 12 27 A a > + 0 0 8 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.417 69.8 155.4-127.7 61.5 22.1 21.4 32.3 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.7 0, 0.0 42,-0.3 0.663 68.5 60.5 -62.6 -18.0 24.0 23.8 30.0 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.7 92,-0.1 2,-0.2 0.402 75.1 118.2 -90.7 -1.1 24.0 21.4 27.1 15 30 A Q E < -J 30 0C 8 -3,-1.8 40,-0.6 15,-0.2 2,-0.3 -0.506 41.3-175.2 -69.7 131.5 20.2 21.2 26.8 16 31 A A E -JK 29 54C 1 13,-2.3 13,-1.5 -2,-0.2 2,-0.5 -0.912 11.7-149.8-121.2 150.5 18.8 22.4 23.5 17 32 A L E -JK 28 53C 2 36,-2.5 36,-3.2 -2,-0.3 2,-0.5 -0.990 9.0-141.0-126.7 126.4 15.1 22.8 22.6 18 33 A L E -JK 27 52C 0 9,-2.7 8,-2.3 -2,-0.5 9,-1.0 -0.753 25.2-161.9 -83.3 125.4 13.8 22.4 19.0 19 34 A I E -JK 25 51C 4 32,-2.4 32,-2.5 -2,-0.5 6,-0.2 -0.924 4.5-146.2-116.9 137.6 11.1 25.0 18.5 20 35 A N > - 0 0 32 4,-1.9 3,-1.6 -2,-0.4 30,-0.2 -0.068 43.4 -77.7 -83.4-168.3 8.4 25.0 15.8 21 36 A E T 3 S+ 0 0 113 28,-0.4 29,-0.1 1,-0.3 -1,-0.0 0.723 131.3 51.9 -65.9 -26.5 6.8 27.9 14.0 22 37 A E T 3 S- 0 0 137 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.254 121.0-109.5 -91.9 7.8 4.5 28.8 16.9 23 38 A N < + 0 0 91 -3,-1.6 2,-0.5 1,-0.2 -2,-0.1 0.754 69.6 149.0 69.7 31.3 7.6 28.8 19.1 24 39 A E - 0 0 97 1,-0.0 -4,-1.9 2,-0.0 2,-0.4 -0.828 50.9-124.3 -99.5 125.9 6.5 25.6 20.9 25 40 A G E +J 19 0C 14 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.547 38.7 165.1 -68.7 118.8 9.3 23.3 22.1 26 41 A F E + 0 0 27 -8,-2.3 2,-0.3 -2,-0.4 157,-0.2 0.615 60.4 6.3-111.7 -16.8 8.6 19.9 20.6 27 42 A b E -J 18 0C 3 -9,-1.0 -9,-2.7 157,-0.1 -1,-0.3 -0.967 67.9-123.4-157.8 165.5 11.8 18.0 21.1 28 43 A G E -J 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.429 21.0-172.6-108.2-179.1 15.1 18.3 22.9 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.3 -2,-0.1 2,-0.5 -0.951 22.2-117.2-162.0 166.8 18.7 18.2 21.7 30 45 A T E -JL 15 38C 0 8,-2.6 8,-3.0 -2,-0.3 2,-0.4 -0.982 24.3-125.6-118.6 127.4 22.2 18.2 23.1 31 46 A I E + L 0 37C 0 -17,-2.7 76,-2.3 -2,-0.5 6,-0.2 -0.600 31.6 172.3 -68.0 124.0 24.8 20.9 22.4 32 47 A L - 0 0 3 4,-2.9 2,-0.3 -2,-0.4 5,-0.2 0.712 64.0 -27.3-103.3 -30.6 27.9 19.2 21.0 33 48 A S S S- 0 0 28 3,-1.3 -1,-0.4 72,-0.1 65,-0.1 -0.919 84.3 -69.3-168.0-177.5 29.9 22.3 20.0 34 49 A E S S+ 0 0 99 -2,-0.3 64,-2.4 1,-0.2 62,-0.1 0.825 132.5 27.8 -61.5 -27.5 29.3 25.9 18.9 35 50 A F S S+ 0 0 51 62,-0.2 59,-3.5 1,-0.1 2,-0.4 0.577 110.3 76.8-107.8 -16.5 27.8 24.8 15.5 36 51 A Y E - M 0 93C 12 57,-0.2 -4,-2.9 -3,-0.1 -3,-1.3 -0.894 45.6-176.8-113.8 138.9 26.4 21.3 16.3 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.8 -2,-0.4 2,-0.4 -0.957 17.9-144.9-123.3 133.4 23.3 19.9 18.0 38 53 A L E +LM 30 91C 0 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.2 -0.845 33.6 150.6-101.2 133.9 22.6 16.2 18.5 39 54 A T E - M 0 90C 0 51,-2.9 51,-2.3 -2,-0.4 2,-0.3 -0.856 46.8 -80.5-148.8-179.9 19.0 15.1 18.3 40 55 A A > - 0 0 0 -12,-0.4 3,-1.0 49,-0.2 4,-0.5 -0.750 29.6-135.1 -89.9 140.1 16.7 12.1 17.4 41 56 A A G >> S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 4,-0.5 0.836 103.4 63.0 -60.7 -32.1 15.9 11.5 13.8 42 57 A H G >4 S+ 0 0 15 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.728 92.6 63.4 -69.2 -19.7 12.2 10.9 14.6 43 58 A b G X4 S+ 0 0 0 -3,-1.0 3,-1.8 1,-0.2 -1,-0.3 0.738 87.8 71.3 -74.0 -23.6 11.9 14.6 15.8 44 59 A L G X4 S+ 0 0 27 -3,-1.1 3,-1.0 -4,-0.5 -1,-0.2 0.856 93.7 55.6 -60.8 -31.0 12.7 15.8 12.4 45 60 A Y G << S+ 0 0 117 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.519 92.7 73.4 -81.7 -0.9 9.2 14.5 11.3 46 61 A Q G < S+ 0 0 108 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.451 102.1 30.9 -93.7 -1.3 7.5 16.6 14.0 47 61AA A < - 0 0 18 -3,-1.0 -1,-0.2 -4,-0.2 3,-0.1 -0.915 56.9-149.7-158.6 129.5 8.0 20.0 12.3 48 62 A K S S+ 0 0 178 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.900 98.4 10.0 -64.6 -37.5 8.2 21.3 8.7 49 63 A R S S+ 0 0 193 -3,-0.1 -28,-0.4 2,-0.0 2,-0.3 -0.994 77.7 164.7-141.5 141.5 10.4 24.0 9.9 50 64 A F - 0 0 30 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.980 18.7-152.8-152.2 163.7 12.1 24.5 13.3 51 65 A K E -KN 19 70C 87 -32,-2.5 -32,-2.4 -2,-0.3 2,-0.5 -0.685 25.0-111.9-126.5-178.5 14.8 26.4 15.0 52 66 A V E -KN 18 69C 0 17,-2.9 17,-2.5 -34,-0.2 2,-0.4 -0.975 21.1-161.4-128.1 123.5 16.9 25.7 18.0 53 67 A R E -KN 17 68C 25 -36,-3.2 -36,-2.5 -2,-0.5 2,-0.3 -0.873 11.8-179.6-105.0 135.3 16.8 27.5 21.4 54 68 A V E +KN 16 67C 1 13,-2.4 13,-1.8 -2,-0.4 -38,-0.1 -0.837 58.7 36.6-125.8 162.2 19.6 27.3 23.9 55 69 A G S S+ 0 0 3 48,-0.6 2,-0.4 -40,-0.6 10,-0.3 0.703 81.9 135.3 70.1 21.6 20.1 28.8 27.4 56 70 A D + 0 0 13 -41,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.871 19.2 153.8-109.3 133.3 16.4 28.3 28.4 57 71 A R S S+ 0 0 35 -2,-0.4 86,-2.6 1,-0.3 2,-0.4 0.507 75.5 37.2-124.9 -18.0 15.2 27.0 31.7 58 72 A N B -P 142 0D 8 84,-0.2 -1,-0.3 3,-0.2 3,-0.3 -0.959 59.7-163.1-143.9 111.1 11.7 28.6 31.9 59 73 A T S S+ 0 0 60 82,-2.4 2,-0.6 -2,-0.4 83,-0.1 0.713 89.5 55.7 -67.5 -23.2 9.6 29.0 28.7 60 74 A E S S+ 0 0 124 81,-0.5 -1,-0.2 2,-0.0 2,-0.2 -0.714 104.9 45.5-115.7 78.8 7.4 31.5 30.5 61 75 A Q S S- 0 0 127 -2,-0.6 2,-0.7 -3,-0.3 -3,-0.2 -0.608 80.6-108.8 157.1 146.6 9.9 34.1 31.7 62 76 A E + 0 0 180 -2,-0.2 -3,-0.1 1,-0.2 -6,-0.0 -0.848 33.3 169.0 -99.1 113.3 12.9 36.1 30.3 63 77 A E - 0 0 70 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.1 0.723 41.9-129.1 -93.8 -28.2 16.2 34.9 31.8 64 78 A G S S+ 0 0 70 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.160 90.2 80.0 100.9 -18.4 18.4 36.8 29.4 65 79 A G + 0 0 20 -10,-0.3 -9,-0.1 2,-0.0 -11,-0.1 0.440 65.1 114.1-101.9 1.6 20.8 34.0 28.3 66 80 A E + 0 0 53 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.344 38.6 176.0 -71.2 151.5 18.4 32.5 25.8 67 81 A A E -N 54 0C 29 -13,-1.8 -13,-2.4 -2,-0.0 2,-0.4 -0.957 20.1-144.1-157.3 134.8 19.2 32.5 22.1 68 82 A V E -N 53 0C 70 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.840 17.5-167.6-100.9 140.5 17.5 31.0 19.1 69 83 A H E -N 52 0C 13 -17,-2.5 -17,-2.9 -2,-0.4 2,-0.2 -0.981 16.8-129.9-129.6 142.7 19.5 29.6 16.1 70 84 A E E -N 51 0C 93 -2,-0.4 25,-2.4 -19,-0.2 2,-0.5 -0.571 26.4-117.9 -86.1 155.5 18.4 28.6 12.7 71 85 A V E -O 94 0C 35 -21,-0.5 23,-0.2 23,-0.2 3,-0.1 -0.836 27.2-179.2 -97.2 124.8 19.4 25.2 11.3 72 86 A E E S+ 0 0 115 21,-2.5 2,-0.4 -2,-0.5 22,-0.2 0.796 72.8 17.4 -89.8 -34.7 21.6 25.4 8.2 73 87 A V E -O 93 0C 50 20,-2.1 20,-3.0 2,-0.0 2,-0.5 -0.998 58.9-159.0-142.2 136.5 22.0 21.7 7.7 74 88 A V E -O 92 0C 68 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.962 10.0-167.9-112.6 124.5 20.1 18.6 9.0 75 89 A I E -O 91 0C 31 16,-2.9 16,-2.4 -2,-0.5 2,-0.3 -0.911 11.9-175.2-115.6 98.8 22.1 15.4 8.9 76 90 A K E -O 90 0C 69 -2,-0.6 2,-0.6 14,-0.2 14,-0.2 -0.662 36.3-103.5 -94.4 153.2 19.8 12.5 9.5 77 91 A H > - 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