==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-08 2JKH . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.SALONEN,C.BUCHER,D.W.BANNER,J.BENZ,W.HAAP,J.L.MARY, . 287 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 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 . 86 30.0 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 . 20 7.0 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 5 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 0.000 360.0 360.0 360.0 124.1 2.5 11.8 34.1 2 17 A V B -A 179 0A 12 177,-3.2 177,-1.5 142,-0.0 2,-0.2 -0.870 360.0 -18.0 -96.8 125.6 -0.7 12.3 36.2 3 18 A G S S+ 0 0 29 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.518 96.0 100.5 72.5-146.2 -0.1 11.4 39.9 4 19 A G S S- 0 0 33 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.319 73.5 -85.3 66.1-152.0 3.0 9.2 40.5 5 20 A Q E -B 145 0B 115 140,-2.4 140,-2.9 -3,-0.1 2,-0.2 -0.954 38.5 -81.4-149.4 163.4 6.1 10.9 41.8 6 21 A E E -B 144 0B 106 -2,-0.3 2,-0.3 138,-0.2 138,-0.3 -0.507 54.6-107.2 -64.7 138.7 9.3 12.7 40.7 7 22 A a - 0 0 2 136,-2.9 136,-0.1 -2,-0.2 3,-0.1 -0.548 35.6-127.6 -65.8 129.7 12.0 10.2 39.5 8 23 A K > - 0 0 137 -2,-0.3 3,-2.5 1,-0.2 4,-0.4 -0.372 42.5 -71.3 -74.7 158.3 14.7 10.1 42.1 9 24 A D T 3 S+ 0 0 63 1,-0.3 -1,-0.2 2,-0.1 48,-0.0 -0.260 120.6 5.1 -53.2 127.5 18.4 10.7 41.1 10 25 A G T 3 S+ 0 0 0 -3,-0.1 274,-2.1 2,-0.1 -1,-0.3 0.355 103.4 104.7 82.2 -2.7 19.6 7.7 39.0 11 26 A E S < S+ 0 0 54 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.631 83.7 32.0 -92.6 -13.9 16.2 5.9 39.0 12 27 A a S > S+ 0 0 10 -4,-0.4 3,-1.6 272,-0.1 -1,-0.2 -0.392 70.1 147.5-131.4 50.6 15.0 6.6 35.4 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.2 0.643 66.1 61.4 -74.1 -14.0 18.4 6.6 33.5 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.6 92,-0.1 2,-0.3 0.444 77.0 117.0 -84.3 -3.7 16.9 5.1 30.3 15 30 A Q E < -J 30 0C 7 -3,-1.6 40,-0.6 15,-0.2 2,-0.3 -0.496 42.8-174.8 -69.2 131.6 14.6 8.1 29.8 16 31 A A E -JK 29 54C 0 13,-2.5 13,-1.6 -2,-0.3 2,-0.4 -0.886 12.7-146.9-119.4 157.7 15.2 10.1 26.7 17 32 A L E -JK 28 53C 4 36,-2.5 36,-3.2 -2,-0.3 2,-0.5 -0.990 7.2-143.2-127.2 122.1 13.4 13.3 25.6 18 33 A L E -JK 27 52C 0 9,-2.9 8,-2.3 -2,-0.4 9,-1.0 -0.779 22.4-159.7 -82.4 124.9 12.7 14.3 22.0 19 34 A I E -JK 25 51C 2 32,-2.7 32,-2.3 -2,-0.5 6,-0.2 -0.923 2.8-146.6-115.1 129.0 13.1 18.1 21.7 20 35 A N > - 0 0 45 4,-2.8 2,-3.0 -2,-0.4 3,-2.0 -0.073 51.0 -53.2 -85.9-172.2 11.6 20.1 18.9 21 36 A E T 3 S+ 0 0 138 28,-0.4 -1,-0.1 1,-0.3 29,-0.1 -0.269 135.9 38.8 -68.1 68.5 12.8 23.3 17.0 22 37 A E T 3 S- 0 0 145 -2,-3.0 -1,-0.3 2,-0.1 3,-0.1 0.249 120.8 -92.9 161.0 10.2 13.3 25.3 20.3 23 38 A N S < S+ 0 0 100 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.707 81.7 140.7 62.1 26.4 14.8 22.7 22.7 24 39 A E - 0 0 117 -4,-0.4 -4,-2.8 1,-0.0 -1,-0.2 -0.848 53.6-119.3-103.7 133.0 11.3 21.9 24.0 25 40 A G E +J 19 0C 13 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.412 39.8 158.7 -71.3 135.6 10.2 18.3 24.9 26 41 A F E + 0 0 16 -8,-2.3 157,-0.3 1,-0.4 2,-0.3 0.458 65.3 10.7-129.3 -12.6 7.3 16.9 23.0 27 42 A b E -J 18 0C 2 -9,-1.0 -9,-2.9 157,-0.1 -1,-0.4 -0.978 66.7-123.8-159.2 160.7 7.8 13.1 23.4 28 43 A G E -J 17 0C 1 157,-2.3 12,-0.4 -2,-0.3 2,-0.3 -0.454 20.4-173.7 -97.8 178.1 9.8 10.6 25.3 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-2.5 -2,-0.2 2,-0.4 -0.938 21.7-120.2-157.6 174.5 12.1 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 -0.991 23.7-124.3-125.3 130.3 14.0 4.9 25.8 31 46 A I E + L 0 37C 0 -17,-2.6 76,-2.4 -2,-0.4 6,-0.2 -0.569 32.4 170.5 -72.8 124.4 17.8 4.4 25.6 32 47 A L - 0 0 13 4,-2.8 2,-0.3 -2,-0.4 5,-0.2 0.694 63.6 -24.5-103.9 -27.7 18.5 1.0 24.1 33 48 A S S S- 0 0 28 3,-1.4 -1,-0.4 72,-0.1 65,-0.1 -0.928 83.4 -70.6-168.8-178.8 22.3 1.3 23.5 34 49 A E S S+ 0 0 95 -2,-0.3 64,-2.9 1,-0.2 62,-0.1 0.837 132.5 26.8 -61.0 -27.8 24.9 3.9 22.9 35 50 A F S S+ 0 0 44 62,-0.2 59,-2.9 1,-0.1 2,-0.4 0.585 110.1 73.6-108.8 -11.0 23.5 4.5 19.4 36 51 A Y E - M 0 93C 11 57,-0.2 -4,-2.8 -3,-0.1 -3,-1.4 -0.906 46.2-173.7-123.1 135.4 19.8 3.6 19.6 37 52 A I E -LM 31 92C 0 55,-2.1 55,-2.5 -2,-0.4 2,-0.4 -0.963 17.8-142.4-117.6 137.4 16.6 5.2 21.0 38 53 A L E +LM 30 91C 0 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.3 -0.835 35.6 148.2 -94.3 134.4 13.2 3.5 21.1 39 54 A T E - M 0 90C 0 51,-2.8 51,-2.3 -2,-0.4 2,-0.4 -0.838 48.3 -79.9-149.7-177.4 10.2 5.8 20.5 40 55 A A > - 0 0 0 -12,-0.4 3,-1.3 49,-0.3 4,-0.5 -0.790 28.8-134.5 -91.4 140.4 6.7 5.8 19.1 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.3 1,-0.3 4,-0.3 0.842 104.4 63.8 -59.2 -34.8 6.2 6.2 15.3 42 57 A H G > S+ 0 0 6 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.747 90.9 65.6 -65.4 -21.4 3.5 8.8 15.9 43 58 A b G X S+ 0 0 0 -3,-1.3 3,-1.4 1,-0.2 4,-0.4 0.786 87.3 69.6 -70.4 -25.2 6.1 11.1 17.6 44 59 A L G < S+ 0 0 28 -3,-1.3 3,-0.3 -4,-0.5 -1,-0.2 0.709 99.6 48.9 -63.6 -21.3 7.8 11.5 14.2 45 60 A Y G < S+ 0 0 118 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.427 94.7 74.0 -98.7 -0.6 4.9 13.5 12.9 46 61 A Q S < S+ 0 0 99 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.574 104.4 29.1 -92.4 -11.9 4.6 15.8 15.9 47 61AA A - 0 0 12 -4,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.964 65.9-140.6-151.0 131.2 7.7 17.9 14.9 48 62 A K S S+ 0 0 191 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.945 95.0 5.6 -52.4 -53.2 9.3 18.6 11.5 49 63 A R S S+ 0 0 131 -3,-0.1 -28,-0.4 2,-0.0 2,-0.3 -0.984 74.6 169.5-135.8 150.5 12.8 18.2 13.1 50 64 A F - 0 0 25 -2,-0.3 21,-0.5 -30,-0.2 2,-0.2 -0.973 19.1-149.3-152.2 162.4 14.0 17.1 16.5 51 65 A K E -K 19 0C 66 -32,-2.3 -32,-2.7 -2,-0.3 2,-0.5 -0.773 26.0-114.5-125.5 175.9 17.0 16.1 18.6 52 66 A V E -KN 18 69C 0 17,-2.7 17,-2.9 -2,-0.2 2,-0.4 -0.956 20.8-161.9-119.7 123.8 17.3 13.7 21.6 53 67 A R E -KN 17 68C 32 -36,-3.2 -36,-2.5 -2,-0.5 2,-0.3 -0.887 9.8-175.6-102.2 137.2 18.3 14.8 25.1 54 68 A V E +KN 16 67C 0 13,-2.6 13,-2.2 -2,-0.4 -38,-0.1 -0.904 60.4 32.9-124.8 153.2 19.5 12.2 27.7 55 69 A G S S+ 0 0 10 -40,-0.6 2,-0.3 48,-0.5 10,-0.2 0.446 80.1 137.7 88.0 1.1 20.4 12.7 31.4 56 70 A D + 0 0 13 -41,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.569 18.3 156.5 -85.1 139.9 17.8 15.3 32.1 57 71 A R S S+ 0 0 75 1,-0.3 86,-2.6 -2,-0.3 2,-0.4 0.491 76.5 34.5-125.0 -22.5 15.7 15.4 35.2 58 72 A N B > -P 142 0D 22 3,-0.3 3,-1.6 84,-0.2 -1,-0.3 -0.936 63.8-160.7-139.7 110.9 14.7 19.0 35.4 59 73 A T T 3 S+ 0 0 52 82,-2.6 83,-0.1 -2,-0.4 -1,-0.1 0.585 91.2 54.4 -74.5 -10.1 14.2 20.9 32.1 60 74 A E T 3 S+ 0 0 151 81,-0.4 2,-0.4 1,-0.1 -1,-0.3 0.299 100.4 69.7-103.2 6.6 14.7 24.3 33.7 61 75 A Q < - 0 0 98 -3,-1.6 2,-1.5 0, 0.0 -3,-0.3 -0.988 68.6-146.6-129.1 126.1 18.1 23.5 35.3 62 76 A E + 0 0 174 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.721 28.3 172.1 -85.4 89.4 21.3 23.0 33.5 63 77 A E - 0 0 127 -2,-1.5 -1,-0.2 -5,-0.2 -7,-0.0 0.879 43.7-119.6 -71.7 -37.0 22.6 20.5 35.9 64 78 A G S S+ 0 0 65 -3,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.022 95.4 80.9 124.0 -25.7 25.6 19.6 33.8 65 79 A G + 0 0 24 -10,-0.2 -9,-0.1 2,-0.0 -11,-0.0 0.539 67.9 106.3 -88.8 -8.5 25.2 15.9 33.1 66 80 A E - 0 0 34 -11,-0.1 2,-0.3 -13,-0.0 -11,-0.2 -0.315 47.0-171.6 -68.7 152.0 22.7 16.3 30.2 67 81 A A E -N 54 0C 28 -13,-2.2 -13,-2.6 -2,-0.0 2,-0.4 -0.997 14.5-144.5-144.4 147.4 23.6 15.8 26.6 68 82 A V E -N 53 0C 67 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.921 16.3-168.5-111.0 137.1 21.9 16.4 23.3 69 83 A H E -N 52 0C 12 -17,-2.9 -17,-2.7 -2,-0.4 2,-0.2 -0.979 16.1-132.1-127.6 133.1 22.3 14.0 20.3 70 84 A E - 0 0 73 -2,-0.4 25,-2.8 -19,-0.2 26,-0.5 -0.562 27.2-113.5 -78.4 153.5 21.3 14.5 16.7 71 85 A V E +O 94 0C 21 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.766 29.6 178.3 -90.5 126.6 19.4 11.8 14.8 72 86 A E E S+ 0 0 94 21,-2.9 2,-0.4 -2,-0.5 22,-0.2 0.832 71.1 15.9 -90.8 -45.2 21.3 10.1 11.9 73 87 A V E -O 93 0C 58 20,-1.8 20,-2.7 2,-0.0 2,-0.5 -0.999 59.4-154.0-137.2 135.6 18.6 7.6 10.9 74 88 A V E -O 92 0C 70 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.956 10.1-168.8-103.7 123.5 14.9 7.2 11.6 75 89 A I E -O 91 0C 44 16,-3.3 16,-2.5 -2,-0.5 2,-0.2 -0.865 11.5-176.9-115.2 96.6 13.6 3.6 11.4 76 90 A K E -O 90 0C 88 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.617 36.9-101.3 -87.7 148.6 9.8 3.7 11.4 77 91 A H > - 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