==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-DEC-10 3Q3K . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SUZUKI,E.IMAI . 285 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 60.7 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 . 85 29.8 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 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 1 5 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 0.000 360.0 360.0 360.0 128.2 10.9 14.4 32.5 2 17 A V B -A 179 0A 10 177,-3.2 177,-1.7 142,-0.0 2,-0.2 -0.887 360.0 -16.2 -95.1 125.5 8.7 12.5 35.0 3 18 A G S S+ 0 0 28 -2,-0.5 175,-0.1 130,-0.4 142,-0.1 -0.545 94.5 107.9 77.5-148.4 10.1 12.8 38.5 4 19 A G - 0 0 25 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.257 68.4 -81.2 75.4-163.0 13.7 14.1 38.6 5 20 A Q E -B 145 0B 83 140,-2.8 140,-3.2 3,-0.0 2,-0.2 -0.910 40.4 -90.9-137.3 161.5 14.8 17.5 39.8 6 21 A E E -B 144 0B 67 -2,-0.3 2,-0.6 138,-0.3 138,-0.3 -0.507 42.4-112.9 -65.0 142.3 15.0 21.0 38.3 7 22 A a - 0 0 2 136,-3.3 136,-0.2 -2,-0.2 3,-0.1 -0.710 38.2-144.9 -68.8 119.7 18.3 22.0 36.7 8 23 A K > - 0 0 109 -2,-0.6 3,-2.5 1,-0.2 4,-0.4 -0.320 43.8 -52.7 -79.7 170.4 19.6 24.6 39.0 9 24 A D T 3 S- 0 0 89 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.190 126.6 -1.5 -48.9 123.5 21.6 27.6 37.7 10 25 A G T 3 S+ 0 0 1 -3,-0.1 275,-1.5 2,-0.1 -1,-0.3 0.434 100.8 110.6 79.0 1.5 24.5 26.4 35.6 11 26 A E S < S+ 0 0 63 -3,-2.5 -2,-0.1 1,-0.2 3,-0.1 0.740 83.2 28.9 -82.2 -24.9 23.8 22.6 36.0 12 27 A a > + 0 0 8 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.374 69.3 150.6-131.6 55.1 22.6 21.7 32.5 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.8 0, 0.0 42,-0.2 0.639 66.1 62.3 -73.5 -14.8 24.4 24.1 30.2 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.5 92,-0.1 93,-0.2 0.442 78.3 115.9 -87.3 -1.8 24.6 21.8 27.2 15 30 A Q E < -J 30 0C 8 -3,-1.7 40,-0.6 15,-0.2 2,-0.3 -0.502 41.8-178.3 -69.3 134.4 20.8 21.6 26.9 16 31 A A E -JK 29 54C 1 13,-2.2 13,-1.5 -2,-0.2 2,-0.4 -0.908 13.5-146.7-124.5 161.5 19.2 23.1 23.8 17 32 A L E -JK 28 53C 4 36,-2.2 36,-3.3 -2,-0.3 2,-0.5 -0.993 6.7-142.7-133.9 125.5 15.5 23.4 22.8 18 33 A L E -JK 27 52C 0 9,-2.9 8,-2.3 -2,-0.4 9,-1.0 -0.777 23.9-165.0 -85.4 130.9 14.0 23.1 19.4 19 34 A I E -JK 25 51C 6 32,-2.0 32,-1.9 -2,-0.5 6,-0.2 -0.944 9.2-136.5-123.0 138.0 11.1 25.6 19.1 20 35 A N > - 0 0 53 4,-2.5 3,-2.3 -2,-0.4 30,-0.1 -0.132 43.0 -83.0 -82.2-176.7 8.4 25.6 16.4 21 36 A E T 3 S+ 0 0 127 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.849 131.4 58.4 -56.6 -34.0 7.0 28.7 14.5 22 37 A E T 3 S- 0 0 84 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.274 119.2-113.7 -79.3 10.7 4.7 29.3 17.5 23 38 A N S < S+ 0 0 73 -3,-2.3 2,-0.4 1,-0.2 -2,-0.1 0.715 72.8 136.1 62.8 23.6 7.8 29.5 19.7 24 39 A E - 0 0 46 1,-0.0 -4,-2.5 2,-0.0 -1,-0.2 -0.862 57.2-115.7-105.1 136.4 6.9 26.3 21.6 25 40 A G E +J 19 0C 14 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.412 38.5 162.0 -66.2 138.5 9.5 23.6 22.5 26 41 A F E + 0 0 20 -8,-2.3 2,-0.3 1,-0.4 157,-0.3 0.464 64.0 11.8-132.8 -12.6 8.9 20.2 20.9 27 42 A b E -J 18 0C 1 -9,-1.0 -9,-2.9 157,-0.1 -1,-0.4 -0.983 65.5-124.6-158.8 160.5 12.3 18.5 21.2 28 43 A G E -J 17 0C 1 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.409 21.4-172.5 -97.3 178.7 15.7 18.8 23.0 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.2 -2,-0.1 2,-0.4 -0.944 20.4-121.2-158.5 171.0 19.2 18.9 21.6 30 45 A T E -JL 15 38C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.987 22.7-124.9-124.1 132.5 22.7 18.9 22.9 31 46 A I E + L 0 37C 0 -17,-2.5 76,-2.5 -2,-0.4 6,-0.2 -0.632 31.4 170.6 -75.9 121.4 25.3 21.6 22.3 32 47 A L - 0 0 16 4,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.697 65.6 -28.7-100.1 -28.5 28.5 20.1 20.8 33 48 A S S S- 0 0 31 3,-1.2 -1,-0.4 72,-0.1 3,-0.2 -0.935 83.6 -67.1-170.1-174.0 30.3 23.3 19.9 34 49 A E S S+ 0 0 98 -2,-0.3 64,-2.7 1,-0.2 62,-0.0 0.797 131.6 27.5 -66.2 -23.1 29.6 26.9 18.9 35 50 A F S S+ 0 0 45 62,-0.2 59,-3.2 1,-0.1 2,-0.4 0.540 109.4 74.2-110.3 -9.6 28.0 25.8 15.6 36 51 A Y E - M 0 93C 9 57,-0.2 -4,-2.5 -3,-0.2 -3,-1.2 -0.931 46.6-173.5-125.4 132.1 26.6 22.3 16.1 37 52 A I E -LM 31 92C 0 55,-2.3 55,-3.0 -2,-0.4 2,-0.5 -0.934 17.0-144.7-114.2 137.4 23.6 20.8 17.9 38 53 A L E +LM 30 91C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.879 35.4 149.0 -97.2 130.7 23.1 17.1 18.3 39 54 A T E - M 0 90C 0 51,-2.8 51,-2.4 -2,-0.5 2,-0.4 -0.840 47.5 -77.6-145.7-173.0 19.5 15.9 18.2 40 55 A A > - 0 0 0 -12,-0.4 3,-1.0 49,-0.3 4,-0.4 -0.764 28.7-136.7 -92.8 138.7 17.2 13.1 17.2 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-2.0 1,-0.2 4,-0.3 0.896 103.7 61.4 -55.3 -42.5 16.3 12.5 13.5 42 57 A H G > S+ 0 0 10 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.786 91.9 67.3 -60.3 -23.6 12.7 11.9 14.4 43 58 A b G X S+ 0 0 0 -3,-1.0 3,-1.5 1,-0.2 -1,-0.3 0.759 86.3 70.4 -65.0 -22.8 12.4 15.4 15.8 44 59 A L G < S+ 0 0 25 -3,-2.0 3,-0.4 -4,-0.4 -1,-0.2 0.657 92.7 56.4 -72.3 -15.9 12.9 16.8 12.2 45 60 A Y G < S+ 0 0 152 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.1 0.289 92.4 71.9 -95.5 7.2 9.5 15.6 11.2 46 61 A Q S < S+ 0 0 99 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.406 102.1 32.0-108.8 -1.4 7.6 17.5 13.9 47 61AA A - 0 0 19 -3,-0.4 -1,-0.2 -4,-0.2 3,-0.1 -0.968 61.2-147.7-150.9 141.0 8.0 21.0 12.7 48 62 A K S S+ 0 0 109 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.940 94.2 9.8 -71.2 -47.2 8.2 22.4 9.1 49 63 A R S S+ 0 0 55 2,-0.0 -28,-0.5 0, 0.0 -1,-0.3 -0.984 78.5 164.7-132.6 143.5 10.5 25.2 10.3 50 64 A F - 0 0 30 -2,-0.4 21,-0.5 -3,-0.1 2,-0.2 -0.968 20.1-150.4-154.1 164.0 12.2 25.6 13.6 51 65 A K E -KN 19 70C 90 -32,-1.9 -32,-2.0 -2,-0.3 2,-0.5 -0.741 24.8-110.1-129.1 179.0 15.0 27.4 15.5 52 66 A V E -KN 18 69C 0 17,-2.8 17,-2.6 -2,-0.2 2,-0.5 -0.956 21.0-161.0-120.3 124.2 17.2 26.5 18.5 53 67 A R E -KN 17 68C 31 -36,-3.3 -36,-2.2 -2,-0.5 2,-0.3 -0.898 13.0-178.2-102.8 134.2 17.0 28.2 21.9 54 68 A V E +KN 16 67C 1 13,-2.7 13,-2.3 -2,-0.5 -38,-0.1 -0.915 58.2 32.4-123.9 154.8 19.9 28.0 24.3 55 69 A G S S+ 0 0 10 -40,-0.6 2,-0.4 48,-0.5 10,-0.2 0.542 81.4 133.9 86.0 6.1 20.4 29.3 27.8 56 70 A D + 0 0 14 -41,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.737 20.3 157.7 -96.5 137.0 16.8 28.8 28.9 57 71 A R S S+ 0 0 68 -2,-0.4 86,-2.4 1,-0.2 2,-0.4 0.540 76.9 38.4-119.7 -22.5 15.7 27.2 32.2 58 72 A N B > -P 142 0D 17 3,-0.3 3,-1.4 84,-0.2 -1,-0.2 -0.916 58.9-169.0-137.4 103.7 12.2 28.7 32.5 59 73 A T T 3 S+ 0 0 54 82,-2.3 83,-0.1 -2,-0.4 3,-0.1 0.577 82.1 73.3 -74.4 -8.2 10.1 29.1 29.3 60 74 A E T 3 S+ 0 0 146 81,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.709 107.0 25.2 -71.9 -22.6 7.6 31.2 31.2 61 75 A Q S < S- 0 0 83 -3,-1.4 2,-0.5 2,-0.0 -3,-0.3 -0.980 72.2-125.5-152.3 132.5 9.9 34.1 31.3 62 76 A E - 0 0 118 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.668 24.2-175.9 -72.9 120.1 12.9 35.6 29.4 63 77 A E - 0 0 82 -2,-0.5 -1,-0.1 -5,-0.1 -7,-0.0 0.045 49.1-104.4-108.6 22.2 15.6 36.0 32.1 64 78 A G S S+ 0 0 74 1,-0.1 -2,-0.1 2,-0.0 -9,-0.0 0.135 106.7 83.8 86.1 -21.2 18.1 37.7 29.7 65 79 A G + 0 0 29 -10,-0.2 2,-0.1 2,-0.0 -1,-0.1 0.569 65.9 106.2 -91.2 -8.8 20.4 34.7 29.2 66 80 A E - 0 0 41 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.399 45.4-175.7 -72.6 142.8 18.4 33.1 26.5 67 81 A A E -N 54 0C 27 -13,-2.3 -13,-2.7 -2,-0.1 2,-0.4 -1.000 14.1-147.5-139.9 142.3 19.4 33.2 22.8 68 82 A V E -N 53 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.872 14.5-170.0-106.0 139.9 17.8 31.9 19.6 69 83 A H E -N 52 0C 12 -17,-2.6 -17,-2.8 -2,-0.4 2,-0.2 -0.992 16.2-133.6-130.3 135.4 19.7 30.6 16.7 70 84 A E E -N 51 0C 88 -2,-0.4 25,-2.4 -19,-0.2 2,-0.5 -0.538 26.3-115.5 -80.9 157.3 18.5 29.7 13.2 71 85 A V E +O 94 0C 27 -21,-0.5 23,-0.2 23,-0.2 3,-0.1 -0.812 28.9 178.4 -97.8 127.6 19.5 26.5 11.5 72 86 A E E S+ 0 0 110 21,-2.8 2,-0.4 -2,-0.5 22,-0.2 0.900 71.2 18.2 -89.3 -54.6 21.6 26.7 8.4 73 87 A V E -O 93 0C 54 20,-1.5 20,-2.6 2,-0.0 2,-0.5 -0.969 61.1-157.4-125.9 133.8 22.1 23.0 7.6 74 88 A V E -O 92 0C 71 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.944 8.7-170.3-106.1 130.3 20.2 20.0 8.8 75 89 A I E -O 91 0C 39 16,-2.5 16,-3.0 -2,-0.5 2,-0.3 -0.913 8.3-178.9-124.6 102.2 22.1 16.7 8.6 76 90 A K E -O 90 0C 62 -2,-0.5 14,-0.2 14,-0.2 2,-0.2 -0.784 38.4-100.7-100.2 140.5 19.9 13.7 9.2 77 91 A H > - 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