==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 15-APR-10 2XBW . 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 . 284 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 60.6 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 29.6 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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.4 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 2 1 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 6 2 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 0.000 360.0 360.0 360.0 127.7 20.2 71.1 7.1 2 17 A V B -A 179 0A 14 177,-3.4 177,-1.7 142,-0.0 2,-0.2 -0.858 360.0 -16.3 -98.7 125.7 18.4 72.9 10.0 3 18 A G S S+ 0 0 26 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.534 97.0 100.6 78.8-149.0 20.8 74.0 12.6 4 19 A G S S- 0 0 28 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.244 70.8 -96.8 65.8-159.4 24.2 72.5 12.4 5 20 A Q E -B 145 0B 114 140,-2.1 140,-2.9 -3,-0.1 2,-0.1 -0.946 35.3 -75.1-152.1 170.4 27.0 74.5 10.8 6 21 A E E -B 144 0B 98 -2,-0.3 138,-0.3 138,-0.3 2,-0.1 -0.459 49.4-116.4 -71.4 138.6 29.0 75.0 7.6 7 22 A a - 0 0 3 136,-2.6 2,-0.1 -2,-0.1 136,-0.1 -0.465 29.5-131.3 -70.6 150.0 31.5 72.2 6.7 8 23 A K > - 0 0 121 1,-0.2 3,-2.2 -2,-0.1 4,-0.5 -0.461 45.7 -62.2 -94.1 173.6 35.1 73.5 6.6 9 24 A D T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -2,-0.1 276,-0.1 -0.351 124.9 2.6 -58.9 127.2 37.5 72.8 3.7 10 25 A G T 3 S+ 0 0 1 -2,-0.1 273,-1.7 -3,-0.1 -1,-0.3 0.425 100.3 110.8 77.2 1.9 38.0 69.0 3.4 11 26 A E S < S+ 0 0 31 -3,-2.2 -2,-0.1 1,-0.2 3,-0.1 0.767 87.5 24.1 -80.4 -26.9 35.6 68.2 6.2 12 27 A a S > S+ 0 0 8 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.440 74.1 154.8-134.7 58.8 32.8 66.6 4.1 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.4 0, 0.0 42,-0.2 0.643 65.8 61.8 -65.1 -17.9 34.7 65.4 1.0 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.4 92,-0.1 2,-0.2 0.386 76.4 119.9 -88.9 1.0 32.3 62.6 0.0 15 30 A Q E < -J 30 0C 10 -3,-1.6 40,-0.6 15,-0.2 2,-0.3 -0.476 40.1-176.6 -69.6 134.9 29.4 65.0 -0.5 16 31 A A E -JK 29 54C 1 13,-2.3 13,-1.7 -2,-0.2 2,-0.4 -0.928 13.2-147.9-125.9 154.5 28.0 65.1 -4.0 17 32 A L E -JK 28 53C 7 36,-2.4 36,-3.1 -2,-0.3 2,-0.5 -0.990 7.0-144.0-126.8 128.9 25.2 67.4 -5.3 18 33 A L E -JK 27 52C 0 9,-2.9 8,-2.3 -2,-0.4 9,-0.9 -0.822 22.7-163.3 -91.1 128.1 22.7 66.3 -8.0 19 34 A I E -JK 25 51C 8 32,-2.5 32,-2.2 -2,-0.5 6,-0.2 -0.929 5.4-143.3-117.2 135.9 21.9 69.3 -10.2 20 35 A N > - 0 0 28 4,-2.6 3,-2.3 -2,-0.4 30,-0.2 -0.133 42.9 -81.1 -84.6-173.8 18.9 69.7 -12.5 21 36 A E T 3 S+ 0 0 90 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.781 130.6 60.4 -59.2 -28.6 18.8 71.4 -16.0 22 37 A E T 3 S- 0 0 140 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.377 118.1-115.9 -79.4 4.6 18.4 74.7 -14.2 23 38 A N S < S+ 0 0 120 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.807 72.8 140.2 63.0 29.1 21.8 74.0 -12.7 24 39 A E - 0 0 97 -4,-0.0 -4,-2.6 2,-0.0 -1,-0.3 -0.873 55.9-119.9-106.9 135.3 20.0 73.9 -9.4 25 40 A G E +J 19 0C 12 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.481 38.3 161.9 -71.3 139.9 20.8 71.4 -6.6 26 41 A F E + 0 0 19 -8,-2.3 2,-0.3 1,-0.5 157,-0.2 0.460 61.8 10.9-135.7 -8.7 17.9 69.2 -5.6 27 42 A b E -J 18 0C 0 -9,-0.9 -9,-2.9 157,-0.1 -1,-0.5 -0.973 67.4-123.9-162.7 160.2 19.4 66.2 -3.8 28 43 A G E -J 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.440 19.8-168.1-103.1-179.1 22.6 65.1 -2.4 29 44 A G E -J 16 0C 0 -13,-1.7 -13,-2.3 -2,-0.1 2,-0.4 -0.942 18.6-122.8-156.5 172.1 24.8 62.0 -3.0 30 45 A T E -JL 15 38C 0 8,-2.2 8,-3.0 -2,-0.3 2,-0.4 -0.995 23.1-125.9-126.7 129.1 27.8 60.2 -1.5 31 46 A I E + L 0 37C 0 -17,-2.4 76,-2.2 -2,-0.4 6,-0.2 -0.631 31.3 170.9 -75.5 125.0 31.0 59.5 -3.4 32 47 A L - 0 0 14 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.657 66.2 -26.4-104.2 -27.6 31.7 55.7 -3.1 33 48 A S S S- 0 0 13 3,-1.4 -1,-0.4 72,-0.1 3,-0.1 -0.937 83.2 -70.0-168.5-175.8 34.6 55.6 -5.6 34 49 A E S S+ 0 0 87 -2,-0.3 64,-2.6 1,-0.2 62,-0.1 0.791 132.2 29.7 -64.0 -23.9 35.9 57.4 -8.7 35 50 A F S S+ 0 0 45 62,-0.2 59,-2.9 1,-0.1 2,-0.4 0.585 109.9 72.3-111.1 -10.4 32.9 56.0 -10.8 36 51 A Y E - M 0 93C 9 57,-0.2 -4,-2.8 -3,-0.1 -3,-1.4 -0.915 45.9-173.9-122.7 138.0 30.0 55.6 -8.3 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.8 -2,-0.4 2,-0.4 -0.968 17.4-145.4-119.6 133.7 27.7 57.9 -6.4 38 53 A L E +LM 30 91C 0 -8,-3.0 -8,-2.2 -2,-0.4 2,-0.2 -0.851 35.0 147.1 -98.1 133.7 25.2 56.6 -3.8 39 54 A T E - M 0 90C 0 51,-2.8 51,-2.2 -2,-0.4 2,-0.4 -0.822 48.6 -74.9-149.8-173.1 21.9 58.5 -3.5 40 55 A A >> - 0 0 0 -12,-0.4 3,-0.8 49,-0.2 4,-0.6 -0.751 28.2-136.4 -92.8 140.6 18.2 57.9 -2.8 41 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.1 1,-0.2 4,-0.3 0.864 103.8 61.8 -60.4 -35.3 15.9 56.3 -5.3 42 57 A H G >4 S+ 0 0 10 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.796 93.1 65.5 -66.1 -20.6 13.2 58.9 -4.7 43 58 A b G X> S+ 0 0 0 -3,-0.8 3,-1.5 1,-0.2 4,-0.6 0.827 87.6 68.1 -67.8 -31.0 15.6 61.6 -5.9 44 59 A L G << S+ 0 0 27 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.655 92.5 61.5 -64.2 -15.7 15.6 60.1 -9.4 45 60 A Y G <4 S+ 0 0 104 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.635 92.4 65.9 -85.1 -15.7 11.9 61.1 -9.8 46 61 A Q T <4 S+ 0 0 105 -3,-1.5 2,-0.4 -4,-0.3 -2,-0.2 0.846 106.9 27.8 -79.4 -33.6 12.5 64.9 -9.4 47 61AA A < - 0 0 12 -4,-0.6 -1,-0.2 1,-0.1 3,-0.1 -0.966 57.9-155.2-136.0 120.6 14.6 65.6 -12.5 48 62 A K S S+ 0 0 194 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.885 93.6 27.6 -55.8 -39.2 14.4 63.7 -15.8 49 63 A R S S+ 0 0 149 -3,-0.1 -28,-0.5 2,-0.0 2,-0.3 -0.987 77.3 153.1-129.4 131.4 17.9 64.9 -16.5 50 64 A F - 0 0 25 -2,-0.4 21,-0.5 -30,-0.2 2,-0.3 -0.972 23.2-152.7-150.6 163.6 20.5 65.7 -14.0 51 65 A K E -KN 19 70C 70 -32,-2.2 -32,-2.5 -2,-0.3 2,-0.4 -0.778 23.1-112.8-129.9 176.4 24.2 65.8 -13.5 52 66 A V E -KN 18 69C 0 17,-2.9 17,-3.2 -2,-0.3 2,-0.4 -0.954 19.7-163.5-119.5 131.9 26.5 65.5 -10.5 53 67 A R E -KN 17 68C 34 -36,-3.1 -36,-2.4 -2,-0.4 2,-0.3 -0.941 10.3-174.6-111.8 134.2 28.7 68.2 -9.0 54 68 A V E +KN 16 67C 1 13,-2.6 13,-2.0 -2,-0.4 -38,-0.1 -0.840 61.1 30.1-120.9 161.5 31.5 67.3 -6.6 55 69 A G S S+ 0 0 9 -40,-0.6 2,-0.3 48,-0.5 11,-0.2 0.501 79.7 135.6 71.7 7.2 33.8 69.5 -4.6 56 70 A D + 0 0 10 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.667 19.5 161.6 -90.6 139.5 31.4 72.4 -4.1 57 71 A R S S+ 0 0 59 -2,-0.3 86,-2.6 1,-0.3 2,-0.4 0.509 75.0 37.0-126.1 -15.6 31.0 74.1 -0.8 58 72 A N B > -P 142 0D 14 3,-0.3 3,-1.1 84,-0.2 -1,-0.3 -0.942 62.5-162.4-140.5 111.8 29.3 77.3 -1.9 59 73 A T T 3 S+ 0 0 56 82,-3.2 83,-0.1 -2,-0.4 3,-0.1 0.593 89.6 58.1 -74.9 -7.7 26.8 77.2 -4.7 60 74 A E T 3 S+ 0 0 137 81,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.518 106.3 49.7 -97.4 -6.0 27.0 80.9 -5.3 61 75 A Q S < S- 0 0 114 -3,-1.1 2,-0.7 2,-0.0 -3,-0.3 -0.998 76.2-135.0-134.1 134.7 30.7 81.0 -6.0 62 76 A E + 0 0 189 -2,-0.4 2,-0.3 -6,-0.1 -3,-0.1 -0.798 37.2 178.7 -88.0 118.7 32.7 78.8 -8.3 63 77 A E > - 0 0 84 -2,-0.7 3,-1.9 -5,-0.2 -5,-0.0 -0.837 36.5 -74.6-123.8 160.5 35.8 77.7 -6.4 64 78 A G T 3 S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.148 114.0 31.2 -50.2 137.1 38.8 75.5 -7.1 65 79 A G T 3 S+ 0 0 28 1,-0.4 -1,-0.2 -3,-0.0 2,-0.2 0.176 80.9 128.7 102.0 -20.5 38.0 71.9 -7.0 66 80 A E < + 0 0 48 -3,-1.9 -1,-0.4 -11,-0.2 2,-0.3 -0.493 30.9 171.2 -71.2 139.3 34.4 71.9 -8.3 67 81 A A E -N 54 0C 28 -13,-2.0 -13,-2.6 -2,-0.2 2,-0.4 -0.993 25.1-138.1-150.3 148.6 33.7 69.6 -11.1 68 82 A V E -N 53 0C 84 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.892 17.7-170.1-111.2 137.0 30.7 68.4 -13.0 69 83 A H E -N 52 0C 13 -17,-3.2 -17,-2.9 -2,-0.4 2,-0.2 -0.979 16.3-136.1-128.2 138.4 30.1 64.8 -14.1 70 84 A E E -N 51 0C 89 -2,-0.4 25,-2.6 -19,-0.2 26,-0.5 -0.629 27.1-118.4 -88.4 151.4 27.5 63.3 -16.3 71 85 A V E -O 94 0C 28 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.769 25.4-176.1 -92.3 132.6 25.7 60.1 -15.2 72 86 A E E S+ 0 0 108 21,-3.0 2,-0.4 -2,-0.4 22,-0.2 0.850 70.8 13.9 -93.4 -41.5 26.2 57.0 -17.5 73 87 A V E -O 93 0C 59 20,-1.9 20,-2.7 2,-0.0 2,-0.5 -1.000 61.1-153.7-139.0 137.5 24.0 54.5 -15.8 74 88 A V E -O 92 0C 68 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.955 9.0-168.1-110.3 126.5 21.3 54.8 -13.1 75 89 A I E -O 91 0C 47 16,-3.1 16,-2.9 -2,-0.5 2,-0.4 -0.923 10.2-177.9-118.6 102.5 20.8 51.8 -10.9 76 90 A K E -O 90 0C 80 -2,-0.6 14,-0.2 14,-0.2 2,-0.1 -0.838 37.7-102.3-100.2 136.9 17.6 52.2 -8.9 77 91 A H > - 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