==== 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 2VWM . 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, . 562 6 16 14 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 34 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 5 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 7 3 11 5 4 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 . 4 0 0 0 0 2 0 2 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,-0.3 0.000 360.0 360.0 360.0 123.0 8.1 -6.2 25.5 2 17 A V B -A 179 0A 12 177,-3.9 177,-2.2 142,-0.0 2,-0.2 -0.888 360.0 -13.4-102.7 124.4 11.3 -8.1 24.9 3 18 A G S S+ 0 0 26 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.524 96.8 93.3 77.6-152.6 10.8 -11.8 25.7 4 19 A G S S- 0 0 34 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.249 75.0 -92.2 57.2-150.7 7.8 -12.8 27.7 5 20 A Q E -B 145 0B 95 140,-2.3 140,-3.0 -3,-0.1 2,-0.2 -0.893 37.8 -75.3-153.1 168.6 4.7 -14.0 25.8 6 21 A E E -B 144 0B 87 -2,-0.3 138,-0.3 138,-0.3 2,-0.2 -0.551 53.5-110.3 -72.5 138.7 1.4 -12.8 24.2 7 22 A a - 0 0 0 136,-2.5 2,-0.1 -2,-0.2 136,-0.1 -0.565 33.7-130.9 -63.8 135.9 -1.3 -12.1 26.8 8 23 A K > - 0 0 108 -2,-0.2 3,-2.5 1,-0.2 4,-0.4 -0.445 45.5 -64.0 -81.6 162.5 -4.0 -14.6 26.5 9 24 A D T 3 S+ 0 0 101 1,-0.3 -1,-0.2 -2,-0.1 48,-0.0 -0.157 123.2 6.3 -48.0 130.7 -7.6 -13.5 26.3 10 25 A G T 3 S+ 0 0 0 -3,-0.1 556,-1.3 557,-0.1 -1,-0.3 0.390 102.1 103.6 83.8 -4.1 -8.7 -11.8 29.5 11 26 A E S < S+ 0 0 40 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.661 85.6 29.7 -91.4 -19.1 -5.3 -11.8 31.0 12 27 A a S > S+ 0 0 6 -4,-0.4 3,-1.3 1,-0.1 -1,-0.2 -0.320 70.3 146.4-133.9 55.2 -4.2 -8.2 30.6 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.3 0.619 66.2 61.1 -76.0 -14.8 -7.5 -6.2 30.6 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-3.4 92,-0.1 2,-0.2 0.481 77.9 116.3 -89.3 -4.3 -6.2 -3.1 32.3 15 30 A Q E < -J 30 0C 8 -3,-1.3 40,-0.5 15,-0.2 2,-0.3 -0.456 42.7-177.2 -64.1 126.9 -3.7 -2.4 29.4 16 31 A A E -JK 29 54C 1 13,-2.5 13,-2.1 -2,-0.2 2,-0.4 -0.916 13.9-144.2-120.9 157.1 -4.4 0.8 27.5 17 32 A L E -JK 28 53C 5 36,-2.7 36,-3.0 -2,-0.3 2,-0.6 -0.983 6.6-141.5-125.3 131.1 -2.5 2.0 24.4 18 33 A L E -JK 27 52C 0 9,-3.3 8,-2.7 -2,-0.4 9,-1.0 -0.826 23.5-166.0 -89.5 121.7 -1.8 5.7 23.5 19 34 A I E -JK 25 51C 1 32,-2.7 32,-2.6 -2,-0.6 6,-0.3 -0.921 7.2-144.7-115.7 129.0 -2.2 6.1 19.8 20 35 A N > - 0 0 43 4,-2.5 3,-0.6 -2,-0.5 31,-0.2 0.247 40.5 -84.8 -72.2-158.7 -0.9 9.2 17.9 21 36 A E T 3 S+ 0 0 86 28,-0.2 2,-0.2 1,-0.2 29,-0.1 0.908 129.5 60.1 -77.9 -45.7 -2.6 10.9 15.0 22 37 A E T 3 S- 0 0 50 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.039 121.2-115.0 -67.5 27.6 -1.0 8.5 12.4 23 38 A N S < S+ 0 0 100 -3,-0.6 2,-0.4 -2,-0.2 -1,-0.1 0.468 72.8 135.1 50.9 14.7 -2.9 6.0 14.6 24 39 A E - 0 0 97 -5,-0.0 -4,-2.5 1,-0.0 -1,-0.1 -0.772 58.0-120.8 -95.5 128.5 0.2 4.2 15.9 25 40 A G E +J 19 0C 8 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.430 35.2 168.7 -61.6 138.7 0.6 3.3 19.6 26 41 A F E + 0 0 22 -8,-2.7 157,-0.5 1,-0.4 2,-0.3 0.446 63.4 15.6-130.9 -11.2 3.6 5.0 21.1 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-3.3 157,-0.1 -1,-0.4 -0.964 69.9-126.7-158.1 161.9 3.1 4.4 24.8 28 43 A G E -J 17 0C 1 157,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.475 19.9-167.2-105.0 178.1 0.9 2.3 27.1 29 44 A G E -J 16 0C 0 -13,-2.1 -13,-2.5 -2,-0.2 2,-0.5 -0.950 19.0-120.4-153.1 174.4 -1.4 3.2 29.9 30 45 A T E -JL 15 38C 0 8,-2.5 8,-3.2 -2,-0.3 2,-0.5 -0.986 22.8-127.3-123.0 128.9 -3.2 1.5 32.7 31 46 A I E + L 0 37C 0 -17,-3.4 76,-2.2 -2,-0.5 6,-0.2 -0.565 31.5 170.1 -70.2 121.2 -7.0 1.6 33.1 32 47 A L - 0 0 13 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.695 65.2 -30.4-102.3 -23.7 -7.8 2.8 36.7 33 48 A S S S- 0 0 10 3,-1.3 -1,-0.3 72,-0.1 65,-0.1 -0.900 83.8 -65.9-170.2-168.7 -11.5 3.3 36.3 34 49 A E S S+ 0 0 86 -2,-0.3 64,-2.3 1,-0.2 62,-0.1 0.843 131.3 29.3 -68.9 -30.0 -14.1 4.3 33.6 35 50 A F S S+ 0 0 42 62,-0.2 59,-2.6 1,-0.1 2,-0.4 0.608 110.4 71.1-104.3 -11.3 -12.7 7.8 33.2 36 51 A Y E - M 0 93C 20 57,-0.2 -4,-2.8 62,-0.1 -3,-1.3 -0.919 45.8-173.6-128.5 137.3 -9.1 7.5 34.0 37 52 A I E -LM 31 92C 0 55,-1.9 55,-2.5 -2,-0.4 2,-0.4 -0.939 19.0-141.5-117.2 136.1 -5.9 6.1 32.6 38 53 A L E +LM 30 91C 0 -8,-3.2 -8,-2.5 -2,-0.4 2,-0.3 -0.822 37.1 147.8 -94.6 135.6 -2.5 6.0 34.3 39 54 A T E - M 0 90C 0 51,-2.8 51,-1.7 -2,-0.4 2,-0.4 -0.880 48.3 -76.2-151.9-174.8 0.5 6.7 32.2 40 55 A A > - 0 0 0 -12,-0.4 3,-1.4 -2,-0.3 4,-0.5 -0.744 28.9-137.8 -93.9 136.1 4.0 8.2 32.1 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.3 4,-0.3 0.821 102.0 62.5 -57.4 -29.7 4.4 12.0 32.1 42 57 A H G > S+ 0 0 9 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.641 89.4 68.5 -76.3 -15.2 7.2 11.7 29.5 43 58 A b G X S+ 0 0 0 -3,-1.4 3,-1.6 1,-0.2 -1,-0.3 0.744 85.3 71.1 -69.2 -26.0 4.8 10.1 27.0 44 59 A L G X S+ 0 0 27 -3,-1.2 3,-0.8 -4,-0.5 -1,-0.2 0.763 91.0 58.6 -65.6 -23.3 3.0 13.4 26.7 45 60 A Y G < S+ 0 0 108 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.165 93.4 66.4 -94.7 16.0 6.0 14.9 24.8 46 61 A Q G < S+ 0 0 90 -3,-1.6 -1,-0.2 1,-0.3 2,-0.2 0.050 112.8 20.9-119.6 20.2 5.9 12.3 22.0 47 61AA A < - 0 0 20 -3,-0.8 -1,-0.3 -27,-0.1 3,-0.2 -0.715 48.8-163.7 177.3 130.8 2.5 13.6 20.7 48 62 A K S S+ 0 0 214 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.756 94.7 35.8 -88.9 -28.2 0.5 16.8 21.0 49 63 A R S S+ 0 0 148 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 -0.991 78.9 141.8-128.2 119.1 -2.6 15.0 19.8 50 64 A F - 0 0 28 -2,-0.5 21,-0.5 -3,-0.2 2,-0.2 -0.984 28.5-149.4-151.7 162.1 -3.2 11.4 20.9 51 65 A K E -KN 19 70C 91 -32,-2.6 -32,-2.7 -2,-0.3 2,-0.5 -0.798 20.6-113.5-126.5 173.7 -6.1 9.0 21.9 52 66 A V E -KN 18 69C 0 17,-3.1 17,-2.4 -2,-0.2 2,-0.4 -0.924 21.7-164.0-116.5 121.6 -6.5 6.0 24.1 53 67 A R E -KN 17 68C 20 -36,-3.0 -36,-2.7 -2,-0.5 2,-0.3 -0.804 9.7-179.4 -99.1 139.7 -7.3 2.5 22.8 54 68 A V E +KN 16 67C 1 13,-2.3 13,-2.3 -2,-0.4 -38,-0.1 -0.873 58.4 38.3-125.8 161.7 -8.6 -0.3 25.1 55 69 A G S S+ 0 0 15 48,-0.7 2,-0.1 -40,-0.5 11,-0.1 0.376 82.0 131.8 84.1 -2.6 -9.6 -3.9 24.4 56 70 A D + 0 0 16 -41,-0.2 -1,-0.3 11,-0.1 3,-0.1 -0.448 20.2 153.4 -85.4 150.2 -6.8 -4.5 21.9 57 71 A R S S+ 0 0 66 4,-0.2 86,-3.3 1,-0.2 2,-0.4 0.384 76.7 39.3-143.4 -21.2 -4.4 -7.5 21.8 58 72 A N B > -P 142 0D 16 84,-0.3 3,-0.6 3,-0.3 84,-0.3 -0.920 55.2-171.3-139.3 107.5 -3.5 -7.6 18.1 59 73 A T T 3 S+ 0 0 56 82,-4.2 83,-0.1 -2,-0.4 -1,-0.1 0.584 87.5 63.6 -74.8 -9.3 -3.1 -4.3 16.2 60 74 A E T 3 S+ 0 0 144 81,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.676 101.0 51.9 -88.4 -22.6 -2.9 -6.4 13.0 61 75 A Q < 0 0 130 -3,-0.6 -3,-0.3 80,-0.2 -4,-0.2 -0.968 360.0 360.0-112.5 137.1 -6.5 -7.7 13.2 62 76 A E 0 0 191 -2,-0.5 -3,-0.1 -6,-0.1 -6,-0.0 -0.716 360.0 360.0-115.3 360.0 -9.4 -5.3 13.8 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 78 A G 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-107.5 -14.9 -7.3 18.4 65 79 A G + 0 0 37 1,-0.4 2,-0.2 -9,-0.0 -9,-0.1 0.293 360.0 132.4 112.9 -11.6 -14.4 -5.0 21.4 66 80 A E - 0 0 50 -11,-0.1 -1,-0.4 -13,-0.1 2,-0.3 -0.559 35.0-178.3 -71.4 136.9 -11.5 -2.7 20.5 67 81 A A E -N 54 0C 25 -13,-2.3 -13,-2.3 -2,-0.2 2,-0.4 -0.991 22.7-143.8-150.0 135.2 -12.4 0.9 21.3 68 82 A V E -N 53 0C 68 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.787 14.4-168.6-103.1 141.4 -10.9 4.4 21.1 69 83 A H E -N 52 0C 14 -17,-2.4 -17,-3.1 -2,-0.4 2,-0.2 -0.992 16.9-133.7-129.5 128.6 -11.4 7.1 23.6 70 84 A E E -N 51 0C 88 -2,-0.4 25,-2.6 -19,-0.2 2,-0.5 -0.524 26.8-118.6 -73.4 148.2 -10.5 10.8 23.3 71 85 A V E -O 94 0C 22 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.801 26.8-177.1 -91.7 125.3 -8.7 12.4 26.2 72 86 A E E S+ 0 0 102 21,-2.5 2,-0.4 -2,-0.5 22,-0.2 0.890 70.6 12.5 -83.3 -46.3 -10.5 15.3 27.8 73 87 A V E -O 93 0C 62 20,-1.4 20,-2.8 2,-0.0 2,-0.5 -0.991 62.1-153.0-140.2 136.2 -8.0 16.4 30.5 74 88 A V E -O 92 0C 71 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.974 6.7-165.6-115.2 119.3 -4.3 15.5 30.9 75 89 A I E -O 91 0C 46 16,-3.4 16,-2.2 -2,-0.5 2,-0.3 -0.833 11.9-174.7-109.7 93.7 -3.0 15.7 34.5 76 90 A K E -O 90 0C 78 -2,-0.8 2,-0.3 14,-0.2 14,-0.2 -0.615 37.7-100.0 -86.0 142.2 0.8 15.7 34.3 77 91 A H > - 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