==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 16-APR-10 2XC4 . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,J.BENZ,D.SCHLATTER,S.THOMI,W.HAAP . 287 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 58.9 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 . 84 29.3 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 . 16 5.6 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 . 17 5.9 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 . 4 4 2 4 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,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 127.5 2.6 11.9 33.9 2 17 A V B -A 179 0A 12 177,-2.7 177,-1.4 142,-0.1 2,-0.1 -0.818 360.0 -17.8 -97.9 122.7 -0.6 12.4 36.0 3 18 A G S S+ 0 0 29 130,-0.5 175,-0.1 -2,-0.5 142,-0.1 -0.497 96.1 97.4 74.5-153.7 -0.0 11.4 39.6 4 19 A G S S- 0 0 31 -2,-0.1 2,-0.3 143,-0.1 142,-0.2 -0.338 74.3 -85.8 68.1-147.1 3.0 9.2 40.4 5 20 A Q E -B 145 0B 115 140,-2.5 140,-3.1 -3,-0.1 2,-0.2 -0.949 38.0 -78.2-153.7 163.7 6.2 10.9 41.6 6 21 A E E -B 144 0B 98 -2,-0.3 2,-0.4 138,-0.2 138,-0.3 -0.482 54.1-110.7 -64.5 139.1 9.4 12.7 40.5 7 22 A a - 0 0 2 136,-2.6 136,-0.1 -2,-0.2 3,-0.1 -0.620 35.4-129.1 -74.4 126.9 12.0 10.3 39.4 8 23 A K > - 0 0 127 -2,-0.4 3,-2.3 1,-0.2 4,-0.4 -0.273 42.6 -65.8 -73.4 163.0 14.8 10.2 41.9 9 24 A D T 3 S+ 0 0 86 1,-0.3 -1,-0.2 2,-0.1 274,-0.0 -0.228 120.8 1.1 -54.5 127.1 18.4 10.6 41.0 10 25 A G T 3 S+ 0 0 0 -3,-0.1 274,-1.8 1,-0.1 -1,-0.3 0.437 102.7 107.9 78.0 3.3 19.6 7.7 38.9 11 26 A E S < S+ 0 0 57 -3,-2.3 -2,-0.1 1,-0.2 3,-0.1 0.678 83.4 31.1 -95.1 -13.5 16.3 6.0 38.9 12 27 A a > + 0 0 9 -4,-0.4 3,-1.8 272,-0.1 -1,-0.2 -0.306 69.3 148.0-135.3 51.9 15.2 6.6 35.3 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.2 0.622 67.0 62.2 -72.8 -13.7 18.5 6.6 33.4 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.5 92,-0.1 2,-0.3 0.447 77.3 117.8 -90.3 -3.4 17.0 5.1 30.2 15 30 A Q E < -J 30 0C 8 -3,-1.8 40,-0.7 15,-0.2 2,-0.3 -0.490 41.0-178.1 -66.2 131.0 14.7 8.1 29.7 16 31 A A E -JK 29 54C 0 13,-2.1 13,-1.5 -2,-0.3 2,-0.4 -0.878 13.6-147.2-122.4 160.2 15.2 10.0 26.5 17 32 A L E -JK 28 53C 4 36,-2.2 36,-2.9 -2,-0.3 2,-0.5 -0.986 7.3-142.4-132.8 122.3 13.4 13.2 25.4 18 33 A L E -JK 27 52C 0 9,-2.8 8,-2.0 -2,-0.4 9,-1.0 -0.754 22.9-161.4 -82.4 125.1 12.7 14.2 21.8 19 34 A I E -JK 25 51C 2 32,-2.7 32,-2.1 -2,-0.5 6,-0.2 -0.943 4.4-143.7-118.3 129.5 13.0 17.9 21.5 20 35 A N E > - K 0 50C 24 4,-2.8 3,-2.5 -2,-0.4 2,-1.6 -0.014 48.0 -61.8 -85.0-178.3 11.5 20.0 18.6 21 36 A E T 3 S+ 0 0 112 28,-0.6 -1,-0.2 1,-0.3 29,-0.1 -0.523 134.7 42.4 -67.4 92.5 12.8 23.0 16.7 22 37 A E T 3 S- 0 0 121 -2,-1.6 -1,-0.3 -3,-0.1 3,-0.1 0.239 121.3 -96.3 146.2 -7.5 12.8 25.2 19.9 23 38 A N S < S+ 0 0 108 -3,-2.5 2,-0.4 1,-0.2 -2,-0.1 0.772 79.5 141.4 67.1 30.3 14.3 22.8 22.4 24 39 A E - 0 0 90 -4,-0.3 -4,-2.8 2,-0.0 -1,-0.2 -0.880 52.1-123.1-106.0 130.7 10.8 21.8 23.7 25 40 A G E +J 19 0C 12 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.499 38.7 159.1 -73.0 137.3 10.0 18.2 24.6 26 41 A F E + 0 0 15 -8,-2.0 157,-0.5 1,-0.4 2,-0.3 0.442 65.2 10.9-130.0 -13.9 7.1 16.6 22.8 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-2.8 157,-0.1 -1,-0.4 -0.977 66.0-126.1-160.6 156.7 7.7 12.9 23.2 28 43 A G E -J 17 0C 1 157,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.483 18.0-168.0 -94.6-178.6 9.9 10.4 25.1 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.1 -2,-0.2 2,-0.4 -0.929 19.6-121.7-155.6 173.8 12.2 7.6 24.1 30 45 A T E -JL 15 38C 0 8,-2.3 8,-3.1 -2,-0.3 2,-0.5 -0.990 24.1-125.0-125.4 131.4 14.0 4.7 25.7 31 46 A I E + L 0 37C 0 -17,-2.5 76,-2.6 -2,-0.4 6,-0.2 -0.654 33.7 168.8 -72.6 121.8 17.8 4.3 25.5 32 47 A L - 0 0 15 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.674 64.1 -23.3-103.5 -26.2 18.6 0.8 24.1 33 48 A S S S- 0 0 11 3,-1.4 -1,-0.4 72,-0.1 65,-0.1 -0.944 81.7 -72.8-167.9-177.3 22.3 1.2 23.5 34 49 A E S S+ 0 0 92 -2,-0.3 64,-2.9 1,-0.2 62,-0.1 0.839 132.4 26.4 -61.9 -29.2 25.0 3.8 22.8 35 50 A F S S+ 0 0 43 62,-0.2 59,-2.6 58,-0.1 2,-0.4 0.604 110.3 75.1-107.2 -17.9 23.5 4.3 19.3 36 51 A Y E - M 0 93C 20 57,-0.2 -4,-2.5 62,-0.1 -3,-1.4 -0.888 46.5-173.7-117.2 133.7 19.8 3.4 19.5 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.6 -2,-0.4 2,-0.4 -0.964 16.8-144.3-113.3 132.6 16.7 5.0 20.9 38 53 A L E +LM 30 91C 0 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.2 -0.811 35.6 146.0 -90.9 137.0 13.3 3.3 21.1 39 54 A T E - M 0 90C 0 51,-2.6 51,-2.2 -2,-0.4 2,-0.4 -0.836 49.3 -79.3-152.4-175.4 10.2 5.6 20.5 40 55 A A > - 0 0 0 -12,-0.4 3,-1.2 49,-0.3 4,-0.5 -0.814 28.1-135.4 -97.2 138.5 6.7 5.6 19.0 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.2 4,-0.4 0.837 104.6 63.6 -58.0 -37.1 6.2 5.9 15.2 42 57 A H G > S+ 0 0 7 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.752 90.6 66.7 -61.9 -25.2 3.4 8.5 15.8 43 58 A b G X S+ 0 0 0 -3,-1.2 3,-1.7 1,-0.2 4,-0.3 0.800 88.2 67.7 -61.9 -29.7 6.0 10.8 17.5 44 59 A L G < S+ 0 0 30 -3,-1.4 3,-0.4 -4,-0.5 -1,-0.2 0.739 97.5 52.1 -66.9 -22.5 7.7 11.2 14.1 45 60 A Y G < S+ 0 0 103 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.363 96.6 69.3 -92.0 2.0 4.6 13.1 12.7 46 61 A Q S < S+ 0 0 78 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.418 106.0 29.0-108.6 -1.5 4.5 15.6 15.6 47 61AA A - 0 0 8 -3,-0.4 -1,-0.3 -4,-0.3 3,-0.1 -0.890 62.0-148.2-155.2 129.5 7.7 17.5 14.7 48 62 A K S S+ 0 0 195 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.940 92.5 15.7 -57.0 -50.3 9.3 18.1 11.3 49 63 A R S S+ 0 0 196 2,-0.0 -28,-0.6 -28,-0.0 2,-0.3 -0.969 75.5 158.6-129.4 144.8 12.8 18.2 12.9 50 64 A F E -K 20 0C 34 -2,-0.4 21,-0.5 -30,-0.2 2,-0.3 -0.978 22.1-151.1-156.5 162.2 13.9 17.0 16.4 51 65 A K E -K 19 0C 89 -32,-2.1 -32,-2.7 -2,-0.3 2,-0.5 -0.799 25.9-113.0-128.6 175.2 16.9 15.9 18.4 52 66 A V E -KN 18 69C 0 17,-2.8 17,-3.2 -2,-0.3 2,-0.4 -0.953 21.4-161.5-116.1 129.9 17.3 13.6 21.4 53 67 A R E -KN 17 68C 34 -36,-2.9 -36,-2.2 -2,-0.5 2,-0.3 -0.911 11.1-175.1-109.0 134.0 18.3 14.7 24.9 54 68 A V E +KN 16 67C 0 13,-2.7 13,-2.1 -2,-0.4 -38,-0.1 -0.892 59.1 32.2-121.2 157.5 19.6 12.2 27.5 55 69 A G S S+ 0 0 7 -40,-0.7 2,-0.3 48,-0.5 10,-0.2 0.480 80.4 137.7 83.4 2.7 20.5 12.6 31.1 56 70 A D + 0 0 13 -41,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.635 19.5 157.9 -87.9 139.0 18.0 15.2 31.9 57 71 A R S S+ 0 0 80 -2,-0.3 86,-2.5 1,-0.2 2,-0.4 0.592 76.1 34.8-122.9 -28.2 15.9 15.3 35.0 58 72 A N B > -P 142 0D 38 3,-0.3 3,-2.3 84,-0.2 84,-0.2 -0.915 62.9-160.8-136.0 105.3 14.9 19.0 35.2 59 73 A T T 3 S+ 0 0 50 82,-2.6 83,-0.1 -2,-0.4 -1,-0.1 0.676 92.5 51.7 -65.6 -18.0 14.4 20.9 31.9 60 74 A E T 3 S+ 0 0 152 81,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.284 103.7 65.0 -97.5 7.6 14.8 24.3 33.6 61 75 A Q S < S- 0 0 76 -3,-2.3 2,-1.2 0, 0.0 -3,-0.3 -0.994 72.1-137.9-135.5 129.7 18.2 23.5 35.3 62 76 A E + 0 0 161 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.705 26.4 172.3 -83.3 92.8 21.6 22.7 33.7 63 77 A E - 0 0 127 -2,-1.2 -1,-0.2 -5,-0.2 -7,-0.0 0.858 45.1-122.0 -65.7 -35.5 22.8 19.9 35.9 64 78 A G S S+ 0 0 69 -3,-0.2 -2,-0.1 -9,-0.0 -1,-0.1 0.206 95.0 83.2 109.8 -13.7 25.9 19.3 33.7 65 79 A G + 0 0 25 -10,-0.2 -9,-0.1 2,-0.0 2,-0.1 0.487 64.9 110.3 -98.5 -4.5 25.2 15.6 32.8 66 80 A E - 0 0 35 -11,-0.1 2,-0.3 -13,-0.1 -11,-0.2 -0.364 43.9-175.4 -70.5 149.0 22.8 16.4 29.9 67 81 A A E -N 54 0C 28 -13,-2.1 -13,-2.7 -2,-0.1 2,-0.5 -0.993 16.1-146.8-145.1 143.9 23.6 15.7 26.3 68 82 A V E -N 53 0C 73 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.937 18.0-169.0-110.9 130.4 21.8 16.4 23.1 69 83 A H E -N 52 0C 13 -17,-3.2 -17,-2.8 -2,-0.5 2,-0.2 -0.939 16.6-129.8-119.4 140.7 22.3 14.0 20.1 70 84 A E - 0 0 90 -2,-0.4 25,-3.1 -19,-0.2 2,-0.5 -0.612 26.4-116.6 -82.9 149.2 21.3 14.3 16.5 71 85 A V E +O 94 0C 28 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.738 28.1 179.4 -86.6 126.0 19.4 11.6 14.7 72 86 A E E S+ 0 0 103 21,-2.9 2,-0.4 -2,-0.5 22,-0.2 0.863 71.3 16.6 -88.4 -45.7 21.2 9.9 11.8 73 87 A V E -O 93 0C 56 20,-1.7 20,-2.7 2,-0.0 2,-0.5 -0.989 60.9-153.9-134.1 136.8 18.6 7.3 10.8 74 88 A V E -O 92 0C 70 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.969 9.7-167.9-106.0 122.8 14.9 7.0 11.6 75 89 A I E -O 91 0C 46 16,-3.2 16,-2.9 -2,-0.5 2,-0.3 -0.882 11.4-177.7-113.3 98.5 13.6 3.5 11.4 76 90 A K E -O 90 0C 92 -2,-0.7 2,-0.3 14,-0.3 14,-0.2 -0.686 37.4-102.9 -90.3 141.4 9.8 3.7 11.4 77 91 A H > - 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