==== 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 26-JUN-08 2VWL . 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, . 277 4 8 5 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 59.6 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 . 80 28.9 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 . 3 1.1 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 . 14 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 7.6 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 0 1 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 . 5 4 2 4 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 . 1 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 0.000 360.0 360.0 360.0 120.4 20.4 71.1 7.0 2 17 A V B -A 179 0A 12 177,-3.1 177,-1.6 142,-0.0 132,-0.1 -0.829 360.0 -14.7 -91.5 127.6 18.5 72.8 9.9 3 18 A G S S+ 0 0 27 130,-0.5 175,-0.1 -2,-0.5 142,-0.1 -0.447 97.9 93.4 73.1-151.8 21.0 73.8 12.6 4 19 A G S S- 0 0 31 -2,-0.1 2,-0.3 143,-0.1 142,-0.2 -0.211 73.4 -99.5 58.7-152.7 24.5 72.2 12.5 5 20 A Q E -B 145 0B 116 140,-2.1 140,-3.0 -3,-0.1 2,-0.1 -0.948 36.2 -64.9-158.0 174.1 27.2 74.3 10.8 6 21 A E E -B 144 0B 98 -2,-0.3 138,-0.3 138,-0.3 2,-0.2 -0.398 49.2-114.5 -71.6 138.5 29.2 74.8 7.6 7 22 A a - 0 0 2 136,-2.8 136,-0.1 -2,-0.1 2,-0.1 -0.539 32.1-133.7 -65.1 133.8 31.6 72.1 6.4 8 23 A K >> - 0 0 123 -2,-0.2 3,-2.4 1,-0.2 4,-0.5 -0.432 44.9 -66.5 -80.8 165.9 35.1 73.4 6.6 9 24 A D T 34 S+ 0 0 65 1,-0.3 -1,-0.2 2,-0.1 271,-0.1 -0.288 124.9 6.1 -53.3 129.4 37.5 72.8 3.7 10 25 A G T 34 S+ 0 0 1 -3,-0.1 268,-2.1 269,-0.1 -1,-0.3 0.362 102.1 106.2 82.2 -4.3 38.1 69.1 3.4 11 26 A E T <4 S+ 0 0 33 -3,-2.4 -2,-0.1 1,-0.2 3,-0.1 0.773 87.5 26.2 -82.7 -29.5 35.6 68.1 6.1 12 27 A a S >< S+ 0 0 7 -4,-0.5 3,-1.5 1,-0.1 -1,-0.2 -0.442 72.2 149.9-131.2 57.1 32.8 66.7 4.0 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.2 0, 0.0 42,-0.3 0.678 65.2 63.5 -73.3 -19.2 34.7 65.5 0.9 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.7 92,-0.1 2,-0.2 0.452 77.3 117.0 -83.3 -2.5 32.3 62.6 0.1 15 30 A Q E < -J 30 0C 10 -3,-1.5 40,-0.6 15,-0.2 2,-0.3 -0.465 41.6-176.9 -67.4 132.1 29.5 65.0 -0.6 16 31 A A E -JK 29 54C 0 13,-2.4 13,-1.5 -2,-0.2 2,-0.4 -0.898 13.6-146.5-122.8 161.1 28.1 65.0 -4.1 17 32 A L E -JK 28 53C 4 36,-2.0 36,-3.1 -2,-0.3 2,-0.5 -0.993 6.6-144.1-132.6 123.1 25.3 67.3 -5.4 18 33 A L E -JK 27 52C 0 9,-3.0 8,-2.2 -2,-0.4 9,-1.0 -0.800 23.7-160.8 -86.7 128.9 22.8 66.3 -8.0 19 34 A I E -JK 25 51C 8 32,-3.0 32,-2.1 -2,-0.5 6,-0.2 -0.921 5.9-140.8-120.3 137.1 22.0 69.3 -10.2 20 35 A N > - 0 0 38 4,-2.9 3,-2.8 -2,-0.4 30,-0.2 -0.186 42.4 -86.3 -88.3-178.1 19.0 69.8 -12.5 21 36 A E T 3 S+ 0 0 100 28,-0.5 -1,-0.1 1,-0.3 29,-0.1 0.553 129.8 61.8 -71.5 -3.6 19.0 71.3 -15.9 22 37 A E T 3 S- 0 0 132 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.397 117.5-116.4 -89.7 -1.3 18.7 74.7 -14.2 23 38 A N S < S+ 0 0 116 -3,-2.8 2,-0.4 1,-0.3 -2,-0.2 0.705 74.1 134.7 69.8 20.9 22.0 74.0 -12.6 24 39 A E - 0 0 116 -4,-0.0 -4,-2.9 1,-0.0 -1,-0.3 -0.822 59.0-118.1-100.1 140.3 20.3 74.0 -9.2 25 40 A G E +J 19 0C 14 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.495 37.7 163.7 -73.3 142.7 21.0 71.3 -6.6 26 41 A F E + 0 0 16 -8,-2.2 2,-0.3 1,-0.5 157,-0.3 0.442 63.2 16.2-137.0 -7.0 18.0 69.2 -5.7 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-3.0 157,-0.1 -1,-0.5 -0.971 66.8-127.2-159.8 156.3 19.5 66.1 -3.9 28 43 A G E -J 17 0C 1 157,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.438 21.0-170.8 -95.6 175.7 22.7 65.0 -2.4 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.4 -2,-0.2 2,-0.4 -0.937 20.3-119.8-154.4 171.2 24.8 61.9 -3.0 30 45 A T E -JL 15 38C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.985 23.4-125.9-117.9 128.5 27.9 60.1 -1.5 31 46 A I E + L 0 37C 0 -17,-2.7 76,-2.2 -2,-0.4 6,-0.2 -0.631 33.4 168.9 -69.8 119.9 31.1 59.5 -3.4 32 47 A L - 0 0 11 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.651 65.2 -23.2-100.4 -26.9 31.8 55.7 -3.3 33 48 A S S S- 0 0 7 3,-1.5 -1,-0.3 72,-0.1 65,-0.1 -0.940 82.1 -73.8-168.1-178.0 34.6 55.6 -5.8 34 49 A E S S+ 0 0 90 -2,-0.3 64,-3.3 1,-0.2 62,-0.1 0.816 133.1 28.6 -65.0 -26.1 35.9 57.4 -8.8 35 50 A F S S+ 0 0 44 62,-0.2 59,-2.9 1,-0.1 2,-0.4 0.590 110.0 75.4-105.0 -15.1 33.0 56.1 -10.9 36 51 A Y E - M 0 93C 11 57,-0.2 -4,-2.7 62,-0.1 -3,-1.5 -0.889 45.3-175.4-119.2 136.2 30.1 55.7 -8.4 37 52 A I E -LM 31 92C 0 55,-2.3 55,-3.2 -2,-0.4 2,-0.4 -0.971 17.5-146.0-118.4 133.5 27.7 57.9 -6.5 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.859 33.7 150.9 -95.8 132.3 25.3 56.6 -3.9 39 54 A T E - M 0 90C 0 51,-2.8 51,-2.4 -2,-0.4 2,-0.4 -0.785 46.9 -78.9-146.6-173.8 22.0 58.4 -3.7 40 55 A A > - 0 0 0 -12,-0.4 3,-0.9 49,-0.3 4,-0.4 -0.791 28.9-134.4 -92.1 140.5 18.3 57.9 -2.8 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.9 1,-0.2 4,-0.3 0.880 105.0 63.1 -55.9 -39.4 16.0 56.3 -5.3 42 57 A H G > S+ 0 0 10 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.805 91.5 67.1 -61.1 -22.9 13.3 59.0 -4.7 43 58 A b G X> S+ 0 0 0 -3,-0.9 3,-1.2 1,-0.3 4,-0.5 0.760 88.2 66.2 -65.3 -23.2 15.8 61.6 -6.0 44 59 A L G <4 S+ 0 0 31 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.601 91.6 64.2 -76.4 -9.6 15.6 60.0 -9.5 45 60 A Y G <4 S+ 0 0 91 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.484 95.2 61.3 -91.9 -6.9 11.9 61.1 -9.7 46 61 A Q T <4 S+ 0 0 91 -3,-1.2 2,-0.4 1,-0.3 -2,-0.1 0.918 103.9 27.5 -88.9 -84.0 12.6 64.8 -9.6 47 61AA A < - 0 0 15 -4,-0.5 -1,-0.3 1,-0.2 3,-0.1 -0.646 63.0-150.7 -79.7 131.1 14.8 66.0 -12.6 48 62 A K S S+ 0 0 199 -2,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.875 92.1 29.0 -65.5 -33.0 14.4 63.9 -15.7 49 63 A R S S+ 0 0 147 -3,-0.1 -28,-0.5 2,-0.0 2,-0.3 -0.990 78.4 156.7-130.4 130.7 17.9 64.9 -16.5 50 64 A F - 0 0 22 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.971 22.2-153.2-147.5 163.0 20.6 65.7 -14.0 51 65 A K E -K 19 0C 69 -32,-2.1 -32,-3.0 -2,-0.3 2,-0.4 -0.747 23.3-114.3-127.7 175.8 24.3 65.8 -13.5 52 66 A V E -KN 18 69C 0 17,-2.5 17,-3.2 -2,-0.2 2,-0.5 -0.966 18.8-161.8-119.5 131.5 26.6 65.5 -10.5 53 67 A R E -KN 17 68C 32 -36,-3.1 -36,-2.0 -2,-0.4 2,-0.3 -0.948 10.7-173.6-110.3 131.0 28.8 68.2 -9.0 54 68 A V E +KN 16 67C 0 13,-2.6 13,-2.2 -2,-0.5 -38,-0.1 -0.801 62.2 29.2-116.0 162.7 31.7 67.3 -6.7 55 69 A G S S+ 0 0 8 -40,-0.6 2,-0.2 48,-0.6 11,-0.2 0.424 79.9 138.1 71.9 1.8 34.0 69.5 -4.7 56 70 A D + 0 0 9 -41,-0.2 -1,-0.2 11,-0.2 3,-0.1 -0.564 18.0 160.7 -84.9 140.6 31.5 72.3 -4.2 57 71 A R S S+ 0 0 59 1,-0.3 86,-2.5 -2,-0.2 2,-0.4 0.506 74.0 35.6-128.0 -19.3 31.2 74.1 -0.9 58 72 A N B > -P 142 0D 9 3,-0.3 3,-1.1 84,-0.2 -1,-0.3 -0.914 62.3-161.8-140.0 109.4 29.5 77.3 -1.9 59 73 A T T 3 S+ 0 0 57 82,-3.5 83,-0.1 -2,-0.4 -1,-0.1 0.603 89.4 58.6 -71.1 -8.4 26.9 77.2 -4.6 60 74 A E T 3 S+ 0 0 145 81,-0.4 2,-0.4 1,-0.1 -1,-0.2 0.671 105.4 47.8 -92.1 -17.7 27.1 81.0 -5.2 61 75 A Q S < S- 0 0 120 -3,-1.1 2,-0.8 2,-0.0 -3,-0.3 -0.978 78.0-130.0-123.5 135.5 30.9 81.2 -6.0 62 76 A E + 0 0 183 -2,-0.4 2,-0.3 -6,-0.1 -3,-0.1 -0.747 39.3 178.6 -83.1 112.9 32.9 79.0 -8.4 63 77 A E > - 0 0 83 -2,-0.8 3,-1.9 -5,-0.2 -5,-0.0 -0.823 36.9 -81.3-116.6 155.7 35.9 77.8 -6.3 64 78 A G T 3 S+ 0 0 78 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.152 112.0 39.6 -53.2 142.7 38.8 75.6 -7.1 65 79 A G T 3 S+ 0 0 27 1,-0.4 -1,-0.2 -3,-0.0 -9,-0.1 0.026 79.0 128.4 105.9 -28.0 38.0 71.9 -6.9 66 80 A E < + 0 0 46 -3,-1.9 -1,-0.4 -11,-0.2 2,-0.3 -0.372 30.3 170.6 -61.7 133.9 34.5 72.0 -8.3 67 81 A A E -N 54 0C 27 -13,-2.2 -13,-2.6 -3,-0.1 2,-0.4 -0.995 23.9-141.2-144.0 150.0 33.9 69.5 -11.1 68 82 A V E -N 53 0C 92 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.896 16.5-168.9-112.1 138.0 30.8 68.4 -13.0 69 83 A H E -N 52 0C 12 -17,-3.2 -17,-2.5 -2,-0.4 2,-0.2 -0.986 16.3-135.4-129.3 135.2 30.2 64.8 -14.1 70 84 A E - 0 0 99 -2,-0.4 25,-2.6 -19,-0.2 2,-0.5 -0.553 27.0-120.0 -82.2 150.4 27.6 63.3 -16.5 71 85 A V E -O 94 0C 33 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.811 25.8-177.1 -94.8 127.3 25.8 60.2 -15.3 72 86 A E E + 0 0 111 21,-2.7 2,-0.4 -2,-0.5 22,-0.2 0.863 69.5 13.0 -87.1 -43.3 26.2 57.2 -17.6 73 87 A V E -O 93 0C 60 20,-1.8 20,-2.5 2,-0.0 2,-0.5 -0.999 60.6-151.9-140.4 137.8 24.0 54.6 -15.9 74 88 A V E -O 92 0C 68 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.953 8.9-168.7-111.4 127.8 21.4 54.9 -13.2 75 89 A I E -O 91 0C 39 16,-2.8 16,-3.0 -2,-0.5 2,-0.4 -0.931 11.9-179.0-118.3 99.3 20.9 51.8 -11.0 76 90 A K E -O 90 0C 74 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.851 39.0 -99.2-102.4 136.4 17.8 52.3 -8.9 77 91 A H > - 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