==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING 12-JUN-08 2VVV . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.GROEBKE-ZBINDEN,D.W.BANNER,J.M.BENZ,F.BLASCO,G.DECORET, . 287 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14286.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 59.9 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 . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 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 . 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 0.000 360.0 360.0 360.0 119.6 2.5 11.8 34.1 2 17 A V B -A 179 0A 13 177,-3.0 177,-1.6 142,-0.0 2,-0.2 -0.831 360.0 -19.8 -92.1 125.3 -0.7 12.4 36.1 3 18 A G S S+ 0 0 30 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.490 95.4 102.6 72.5-146.5 0.0 11.5 39.8 4 19 A G S S- 0 0 25 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.316 72.6 -83.4 68.0-149.4 3.0 9.3 40.5 5 20 A Q E -B 145 0B 117 140,-2.5 140,-2.9 3,-0.0 2,-0.2 -0.955 38.9 -82.6-150.5 162.4 6.2 10.9 41.8 6 21 A E E -B 144 0B 108 -2,-0.3 2,-0.3 138,-0.2 138,-0.3 -0.534 55.8-109.5 -66.1 136.8 9.3 12.7 40.7 7 22 A a - 0 0 1 136,-2.5 136,-0.1 -2,-0.2 3,-0.1 -0.524 36.7-122.5 -71.6 129.0 11.8 10.2 39.6 8 23 A K > - 0 0 116 -2,-0.3 3,-2.3 1,-0.2 4,-0.4 -0.247 42.9 -69.9 -70.2 161.5 14.7 10.0 42.1 9 24 A D T 3 S+ 0 0 90 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.251 120.0 1.6 -51.3 128.3 18.3 10.6 41.1 10 25 A G T 3 S+ 0 0 0 -3,-0.1 274,-2.1 1,-0.1 -1,-0.3 0.459 103.5 105.1 77.2 1.5 19.6 7.8 39.0 11 26 A E S < S+ 0 0 56 -3,-2.3 -2,-0.1 1,-0.2 3,-0.1 0.608 83.1 35.4 -98.3 -8.5 16.3 5.9 39.0 12 27 A a > + 0 0 9 -4,-0.4 3,-1.8 -5,-0.1 -1,-0.2 -0.271 69.1 145.5-132.5 50.0 15.1 6.6 35.5 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.4 0, 0.0 42,-0.3 0.653 65.6 61.9 -73.3 -13.9 18.4 6.6 33.6 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-2.5 92,-0.1 2,-0.3 0.455 77.0 117.8 -86.4 -1.7 16.9 5.1 30.3 15 30 A Q E < -J 30 0C 8 -3,-1.8 40,-0.6 15,-0.2 2,-0.3 -0.504 41.5-177.3 -70.3 130.7 14.6 8.1 29.8 16 31 A A E -JK 29 54C 0 13,-2.4 13,-1.8 -2,-0.3 2,-0.4 -0.868 13.0-148.8-118.6 159.6 15.2 10.1 26.6 17 32 A L E -JK 28 53C 6 36,-2.2 36,-3.1 -2,-0.3 2,-0.5 -0.995 7.9-142.2-131.2 125.8 13.4 13.2 25.5 18 33 A L E -JK 27 52C 0 9,-2.8 8,-2.0 -2,-0.4 9,-0.9 -0.793 21.0-155.9 -86.5 130.8 12.8 14.2 21.9 19 34 A I E -JK 25 51C 10 32,-2.6 32,-1.8 -2,-0.5 6,-0.3 -0.919 7.2-153.7-119.6 124.1 13.1 18.0 21.5 20 35 A N > - 0 0 39 4,-3.2 3,-1.3 -2,-0.5 30,-0.1 0.088 37.5 -81.1 -87.7-166.6 11.4 20.0 18.7 21 36 A E T 3 S+ 0 0 129 28,-0.3 29,-0.1 1,-0.3 -1,-0.1 0.619 128.2 57.2 -75.6 -16.3 12.0 23.2 16.8 22 37 A E T 3 S- 0 0 142 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.302 119.5-115.8 -88.8 7.4 10.5 25.3 19.5 23 38 A N S < S+ 0 0 119 -3,-1.3 2,-0.2 1,-0.3 -2,-0.2 0.470 76.1 131.2 73.0 5.1 13.2 23.6 21.6 24 39 A E - 0 0 117 -5,-0.1 -4,-3.2 1,-0.1 2,-0.3 -0.573 65.3-111.0 -91.5 149.2 10.5 22.0 23.6 25 40 A G E +J 19 0C 19 -6,-0.3 -6,-0.2 -2,-0.2 3,-0.1 -0.603 39.4 165.2 -72.7 135.9 10.1 18.3 24.6 26 41 A F E + 0 0 22 -8,-2.0 157,-0.4 1,-0.4 2,-0.3 0.440 61.6 11.2-130.0 -10.5 7.2 16.7 22.8 27 42 A b E -J 18 0C 0 -9,-0.9 -9,-2.8 157,-0.1 -1,-0.4 -0.980 65.8-125.3-159.3 162.3 7.8 13.0 23.3 28 43 A G E -J 17 0C 1 157,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.506 19.2-169.5-100.2 178.4 9.9 10.5 25.2 29 44 A G E -J 16 0C 0 -13,-1.8 -13,-2.4 -2,-0.2 2,-0.4 -0.919 20.4-120.1-151.3 174.0 12.2 7.7 24.2 30 45 A T E -JL 15 38C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.4 -0.994 24.1-124.1-121.8 132.9 14.0 4.8 25.8 31 46 A I E + L 0 37C 0 -17,-2.5 76,-2.5 -2,-0.4 6,-0.2 -0.579 33.9 168.8 -72.6 121.1 17.8 4.4 25.7 32 47 A L - 0 0 15 4,-2.6 2,-0.3 -2,-0.4 5,-0.2 0.708 63.6 -25.9-102.5 -30.9 18.6 0.9 24.2 33 48 A S S S- 0 0 24 3,-1.4 -1,-0.4 72,-0.1 65,-0.1 -0.921 82.8 -70.4-164.7-172.7 22.3 1.2 23.6 34 49 A E S S+ 0 0 95 -2,-0.3 64,-2.8 1,-0.2 62,-0.1 0.844 132.2 26.3 -64.3 -28.1 24.9 3.9 22.9 35 50 A F S S+ 0 0 43 62,-0.2 59,-2.7 58,-0.1 2,-0.4 0.563 110.2 74.7-109.4 -12.4 23.5 4.5 19.4 36 51 A Y E - M 0 93C 14 57,-0.2 -4,-2.6 62,-0.1 -3,-1.4 -0.903 46.9-173.7-122.5 136.1 19.8 3.5 19.6 37 52 A I E -LM 31 92C 0 55,-2.0 55,-2.8 -2,-0.4 2,-0.4 -0.956 17.7-141.9-120.2 134.6 16.7 5.1 21.0 38 53 A L E +LM 30 91C 0 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.2 -0.832 35.8 147.4 -93.9 135.6 13.3 3.5 21.2 39 54 A T E - M 0 90C 0 51,-2.9 51,-2.3 -2,-0.4 2,-0.4 -0.850 48.3 -79.1-150.4-174.7 10.2 5.7 20.6 40 55 A A > - 0 0 0 -12,-0.4 3,-1.1 49,-0.3 4,-0.4 -0.812 28.3-136.6 -96.3 135.2 6.7 5.7 19.1 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.2 4,-0.4 0.853 103.5 62.8 -52.9 -40.8 6.3 6.0 15.3 42 57 A H G > S+ 0 0 6 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.780 90.8 66.9 -61.4 -26.1 3.4 8.6 15.8 43 58 A b G X S+ 0 0 0 -3,-1.1 3,-1.1 1,-0.2 4,-0.5 0.707 88.1 68.6 -63.1 -21.0 5.9 11.0 17.5 44 59 A L G < S+ 0 0 28 -3,-1.8 3,-0.3 -4,-0.4 -1,-0.2 0.741 95.6 53.6 -74.6 -19.4 7.7 11.3 14.2 45 60 A Y G < S+ 0 0 100 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.397 96.6 68.1 -93.1 2.3 4.6 13.2 12.7 46 61 A Q S < S+ 0 0 94 -3,-1.1 2,-0.3 1,-0.3 -1,-0.2 0.616 108.0 27.1-102.2 -14.6 4.6 15.8 15.5 47 61AA A - 0 0 13 -4,-0.5 -1,-0.3 -3,-0.3 3,-0.1 -0.990 58.3-154.0-143.1 139.2 7.8 17.5 14.6 48 62 A K S S+ 0 0 201 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.860 91.8 23.1 -75.7 -37.6 9.6 17.8 11.2 49 63 A R S S+ 0 0 192 2,-0.0 -28,-0.3 0, 0.0 2,-0.3 -0.988 76.5 152.6-130.6 141.0 13.0 18.2 12.9 50 64 A F - 0 0 36 -2,-0.4 21,-0.5 -30,-0.1 2,-0.2 -0.991 24.5-150.1-158.6 161.3 14.1 17.1 16.4 51 65 A K E -K 19 0C 92 -32,-1.8 -32,-2.6 -2,-0.3 2,-0.5 -0.752 24.5-114.8-125.9 178.4 17.0 16.0 18.6 52 66 A V E -KN 18 69C 0 17,-2.6 17,-2.8 -2,-0.2 2,-0.4 -0.967 21.0-162.6-122.6 124.6 17.3 13.6 21.6 53 67 A R E -KN 17 68C 42 -36,-3.1 -36,-2.2 -2,-0.5 2,-0.3 -0.867 11.0-178.2-104.7 136.9 18.3 14.7 25.1 54 68 A V E +KN 16 67C 0 13,-2.5 13,-2.1 -2,-0.4 -38,-0.1 -0.887 57.7 34.4-125.7 160.3 19.5 12.2 27.7 55 69 A G S S+ 0 0 7 -40,-0.6 2,-0.4 48,-0.6 10,-0.2 0.707 81.4 132.9 75.5 21.3 20.6 12.5 31.3 56 70 A D + 0 0 16 -41,-0.3 -1,-0.3 -3,-0.2 3,-0.1 -0.858 23.3 161.5-107.5 141.7 18.1 15.3 32.1 57 71 A R S S+ 0 0 81 -2,-0.4 86,-2.1 1,-0.3 2,-0.4 0.440 76.5 36.5-126.9 -18.3 15.8 15.4 35.1 58 72 A N B > -P 142 0D 17 3,-0.3 3,-1.5 84,-0.2 -1,-0.3 -0.912 60.6-162.3-145.3 109.4 14.9 19.1 35.2 59 73 A T T 3 S+ 0 0 52 82,-2.5 83,-0.1 -2,-0.4 -1,-0.1 0.574 92.3 52.8 -75.5 -6.2 14.4 21.0 32.0 60 74 A E T 3 S+ 0 0 144 81,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.357 103.6 63.2-104.0 4.3 14.8 24.3 33.7 61 75 A Q S < S- 0 0 74 -3,-1.5 2,-1.1 0, 0.0 -3,-0.3 -0.984 72.1-138.9-136.7 121.7 18.1 23.6 35.4 62 76 A E + 0 0 159 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.701 25.1 174.8 -80.1 100.8 21.5 22.8 33.9 63 77 A E - 0 0 131 -2,-1.1 -1,-0.2 -5,-0.2 -7,-0.1 0.836 44.5-120.2 -73.9 -34.5 22.8 20.0 36.1 64 78 A G S S+ 0 0 67 -3,-0.2 -2,-0.1 0, 0.0 -1,-0.0 0.148 96.1 82.5 115.1 -16.4 25.9 19.5 34.0 65 79 A G + 0 0 26 -10,-0.2 2,-0.1 2,-0.0 -9,-0.1 0.440 64.5 111.3 -99.3 -0.9 25.2 15.8 33.0 66 80 A E - 0 0 37 -13,-0.0 2,-0.3 2,-0.0 -11,-0.2 -0.372 42.7-172.8 -77.1 151.2 22.9 16.4 30.2 67 81 A A E -N 54 0C 25 -13,-2.1 -13,-2.5 -2,-0.1 2,-0.5 -0.998 14.6-149.3-144.4 141.6 23.7 15.7 26.5 68 82 A V E -N 53 0C 73 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.942 17.4-168.5-110.4 131.1 21.9 16.4 23.2 69 83 A H E -N 52 0C 15 -17,-2.8 -17,-2.6 -2,-0.5 2,-0.2 -0.943 16.2-130.2-120.7 138.7 22.4 14.0 20.3 70 84 A E - 0 0 86 -2,-0.4 25,-3.1 -19,-0.2 26,-0.5 -0.593 25.9-115.7 -84.3 152.6 21.4 14.4 16.7 71 85 A V E +O 94 0C 26 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.747 28.4 179.1 -89.7 129.4 19.5 11.7 14.8 72 86 A E E S+ 0 0 101 21,-3.0 2,-0.4 -2,-0.5 22,-0.2 0.848 70.2 14.4 -94.1 -43.6 21.3 10.0 12.0 73 87 A V E -O 93 0C 59 20,-1.8 20,-2.6 2,-0.0 2,-0.5 -0.997 60.4-151.2-134.6 138.8 18.6 7.5 10.9 74 88 A V E -O 92 0C 70 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.952 9.7-168.5-104.6 124.9 15.0 7.1 11.6 75 89 A I E -O 91 0C 45 16,-3.0 16,-2.7 -2,-0.5 2,-0.3 -0.860 11.9-179.0-114.4 96.4 13.6 3.6 11.5 76 90 A K E -O 90 0C 95 -2,-0.6 2,-0.2 14,-0.2 14,-0.2 -0.678 38.0-101.0 -91.8 143.7 9.8 3.7 11.5 77 91 A H > - 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