==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAR-07 2P94 . COMPND 2 MOLECULE: FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.-H.CHANG . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 60.1 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 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.0 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 . 6 3 1 6 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 . 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,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 122.3 10.9 50.2 71.7 2 17 A V B -A 179 0A 16 177,-3.1 177,-1.5 142,-0.0 2,-0.3 -0.872 360.0 -14.6 -98.4 124.5 8.8 48.4 74.3 3 18 A G S S+ 0 0 31 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.624 94.5 103.4 83.8-144.0 10.4 48.6 77.7 4 19 A G S S- 0 0 16 -2,-0.3 2,-0.3 143,-0.1 142,-0.2 -0.029 74.8 -81.3 58.6-170.5 14.0 49.9 77.8 5 20 A Q E -B 145 0B 143 140,-2.3 140,-3.1 3,-0.0 2,-0.1 -0.904 40.0 -96.9-129.3 156.5 14.8 53.4 78.8 6 21 A E E -B 144 0B 59 -2,-0.3 2,-0.6 138,-0.3 138,-0.3 -0.446 48.0-103.0 -71.1 148.5 14.8 56.8 77.0 7 22 A a - 0 0 2 136,-3.1 136,-0.2 50,-0.1 3,-0.1 -0.618 38.5-143.0 -74.4 118.6 18.2 57.8 75.6 8 23 A K > - 0 0 103 -2,-0.6 3,-2.2 1,-0.2 4,-0.5 -0.193 46.8 -52.1 -73.9 174.6 19.6 60.5 77.9 9 24 A D T 3 S- 0 0 76 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.264 124.7 -4.9 -55.2 117.8 21.6 63.4 76.5 10 25 A G T 3 S+ 0 0 0 -3,-0.1 275,-1.2 -2,-0.1 -1,-0.3 0.508 98.5 114.0 78.2 6.6 24.4 62.2 74.2 11 26 A E S < S+ 0 0 58 -3,-2.2 -2,-0.1 1,-0.2 3,-0.1 0.774 85.7 26.7 -80.7 -26.3 23.8 58.4 74.8 12 27 A a > + 0 0 9 -4,-0.5 3,-1.2 1,-0.1 -1,-0.2 -0.513 68.6 153.3-134.3 65.5 22.7 57.5 71.3 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.5 0, 0.0 42,-0.2 0.687 68.4 62.7 -68.6 -18.6 24.4 60.1 69.0 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-2.9 92,-0.1 93,-0.2 0.443 74.4 117.1 -87.7 -1.2 24.4 57.8 66.0 15 30 A Q E < -J 30 0C 10 -3,-1.2 40,-0.7 15,-0.2 2,-0.3 -0.456 43.1-171.1 -71.4 137.7 20.6 57.4 65.7 16 31 A A E -JK 29 54C 1 13,-2.3 13,-2.0 -2,-0.2 2,-0.4 -0.894 8.5-149.7-125.3 157.0 19.0 58.7 62.5 17 32 A L E -JK 28 53C 9 36,-1.6 36,-2.8 -2,-0.3 2,-0.6 -0.994 7.5-142.6-134.8 129.0 15.4 59.1 61.7 18 33 A L E -JK 27 52C 0 9,-2.9 8,-2.3 -2,-0.4 9,-1.0 -0.808 23.6-171.0 -91.9 122.7 13.6 58.9 58.3 19 34 A I E -JK 25 51C 1 32,-2.2 32,-2.5 -2,-0.6 6,-0.2 -0.948 8.2-146.9-118.6 134.6 10.9 61.5 58.0 20 35 A N > - 0 0 33 4,-1.8 3,-1.8 -2,-0.4 30,-0.1 0.014 47.6 -70.2 -82.7-165.5 8.3 61.7 55.2 21 36 A E T 3 S+ 0 0 125 28,-0.3 29,-0.1 1,-0.3 -1,-0.0 0.765 132.9 56.7 -59.2 -28.3 6.6 64.7 53.6 22 37 A E T 3 S- 0 0 138 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.140 115.9-113.7 -92.1 18.5 4.6 65.2 56.8 23 38 A N S < S+ 0 0 103 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.691 73.0 135.9 57.2 23.2 7.8 65.5 58.9 24 39 A E - 0 0 65 1,-0.0 -4,-1.8 2,-0.0 2,-0.3 -0.838 57.5-118.0-106.3 138.4 6.9 62.2 60.7 25 40 A G E +J 19 0C 19 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.540 37.7 161.5 -74.1 131.3 9.4 59.4 61.5 26 41 A F E + 0 0 18 -8,-2.3 2,-0.3 1,-0.3 159,-0.2 0.513 66.3 14.8-122.2 -17.0 8.6 56.1 59.9 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-2.9 157,-0.1 -1,-0.3 -0.977 68.2-123.0-153.9 164.0 12.0 54.4 60.1 28 43 A G E -J 17 0C 3 157,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.542 20.6-170.5-106.8 173.5 15.4 54.6 61.9 29 44 A G E -J 16 0C 0 -13,-2.0 -13,-2.3 -2,-0.2 2,-0.4 -0.949 19.6-124.7-154.0 170.1 18.9 54.8 60.6 30 45 A T E -JL 15 38C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.993 24.0-128.2-125.7 129.2 22.5 54.7 61.8 31 46 A I E + L 0 37C 0 -17,-2.9 76,-2.4 -2,-0.4 6,-0.2 -0.641 30.7 170.5 -76.5 124.5 25.0 57.5 61.2 32 47 A L - 0 0 14 4,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.704 64.5 -25.1-103.5 -29.6 28.2 56.0 59.6 33 48 A S S S- 0 0 33 3,-1.3 -1,-0.4 72,-0.1 3,-0.2 -0.940 81.2 -73.3-167.6-179.4 30.0 59.2 58.7 34 49 A E S S+ 0 0 96 -2,-0.3 64,-3.1 1,-0.2 3,-0.0 0.755 132.5 32.0 -63.1 -20.2 29.3 62.8 57.8 35 50 A F S S+ 0 0 52 62,-0.2 59,-2.7 1,-0.1 2,-0.4 0.575 109.8 69.2-112.1 -11.4 27.9 61.6 54.4 36 51 A Y E - M 0 93C 10 -3,-0.2 -4,-2.6 57,-0.2 -3,-1.3 -0.907 45.6-172.6-124.7 142.2 26.3 58.2 55.0 37 52 A I E -LM 31 92C 0 55,-2.2 55,-3.2 -2,-0.4 2,-0.4 -0.961 16.0-147.1-122.2 140.5 23.4 56.7 56.8 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.3 -0.887 33.9 143.2-106.4 137.3 22.8 52.9 57.2 39 54 A T E - M 0 90C 0 51,-2.4 51,-2.4 -2,-0.4 2,-0.3 -0.893 49.7 -69.7-156.7-175.3 19.2 51.6 57.2 40 55 A A > - 0 0 0 -12,-0.4 3,-0.9 -2,-0.3 4,-0.4 -0.661 30.1-138.4 -88.5 143.2 16.9 48.7 56.2 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.2 4,-0.3 0.894 101.9 64.0 -65.9 -39.1 16.1 48.3 52.5 42 57 A H G >> S+ 0 0 10 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.661 90.7 68.0 -60.6 -15.6 12.5 47.5 53.3 43 58 A b G <4 S+ 0 0 0 -3,-0.9 3,-0.5 1,-0.2 4,-0.3 0.783 83.3 71.4 -74.2 -27.2 12.2 51.1 54.6 44 59 A L G <4 S+ 0 0 29 -3,-1.9 3,-0.3 -4,-0.4 -1,-0.2 0.665 96.9 52.6 -63.3 -15.4 12.6 52.5 51.1 45 60 A Y T <4 S+ 0 0 99 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.805 92.0 72.2 -88.3 -33.5 9.1 51.2 50.3 46 61 A Q S < S+ 0 0 100 -4,-0.6 2,-0.3 -3,-0.5 -1,-0.2 0.506 105.9 30.3 -62.1 -6.2 7.4 52.9 53.3 47 61AA A - 0 0 23 -4,-0.3 3,-0.2 -3,-0.3 -1,-0.0 -0.998 56.6-148.5-154.8 154.6 7.7 56.3 51.7 48 62 A K S S+ 0 0 197 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.926 93.3 8.6 -86.0 -56.1 7.9 58.1 48.3 49 63 A R S S+ 0 0 149 2,-0.0 -1,-0.4 0, 0.0 -28,-0.3 -0.997 79.0 170.2-130.1 127.2 10.1 61.1 49.2 50 64 A F - 0 0 27 -2,-0.4 21,-0.5 -3,-0.2 2,-0.2 -0.947 19.0-155.2-138.9 159.3 12.0 61.2 52.5 51 65 A K E -KN 19 70C 59 -32,-2.5 -32,-2.2 -2,-0.3 2,-0.5 -0.727 23.2-116.3-122.8 173.4 14.6 63.2 54.4 52 66 A V E -KN 18 69C 0 17,-3.1 17,-2.8 -2,-0.2 2,-0.5 -0.963 19.9-161.6-122.4 124.2 16.9 62.3 57.3 53 67 A R E -KN 17 68C 26 -36,-2.8 -36,-1.6 -2,-0.5 2,-0.3 -0.876 11.2-172.5-104.6 130.7 16.8 64.0 60.7 54 68 A V E +KN 16 67C 3 13,-2.9 13,-2.0 -2,-0.5 -38,-0.1 -0.866 58.1 26.0-122.1 154.4 19.8 63.8 63.1 55 69 A G S S+ 0 0 7 -40,-0.7 2,-0.3 48,-0.4 10,-0.2 0.608 80.7 134.3 76.2 14.8 20.3 64.8 66.7 56 70 A D + 0 0 15 -41,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.712 22.3 162.7 -99.5 149.3 16.7 64.7 67.8 57 71 A R S S+ 0 0 67 -2,-0.3 86,-1.8 1,-0.2 2,-0.4 0.448 74.0 45.6-133.0 -18.9 15.5 63.1 71.0 58 72 A N B -P 142 0D 5 84,-0.2 5,-0.4 3,-0.2 -1,-0.2 -0.922 60.0-167.0-135.0 107.2 12.0 64.6 71.3 59 73 A T S S+ 0 0 47 82,-2.5 -1,-0.1 -2,-0.4 83,-0.1 0.814 80.2 66.5 -60.6 -35.1 9.8 64.7 68.2 60 74 A E S S+ 0 0 123 81,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.975 103.8 29.7 -52.5 -78.1 7.3 67.2 69.8 61 75 A Q S S- 0 0 103 1,-0.1 2,-1.2 2,-0.0 -3,-0.2 -0.698 85.9-112.0 -94.7 140.0 9.3 70.4 70.2 62 76 A E - 0 0 168 -2,-0.3 -3,-0.1 1,-0.2 -1,-0.1 -0.534 33.4-165.3 -68.6 99.0 12.2 71.5 68.0 63 77 A E - 0 0 71 -2,-1.2 -1,-0.2 -5,-0.4 -7,-0.1 0.847 31.8-117.3 -57.0 -43.2 14.9 71.2 70.6 64 78 A G S S+ 0 0 61 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.107 98.1 74.9 124.1 -22.4 17.6 73.2 68.8 65 79 A G S S+ 0 0 14 -10,-0.2 2,-0.1 2,-0.0 -9,-0.0 0.348 74.3 98.6-103.3 6.2 20.3 70.6 68.2 66 80 A E - 0 0 28 -13,-0.0 2,-0.3 38,-0.0 -11,-0.2 -0.463 49.0-168.7 -91.4 165.2 18.6 68.7 65.4 67 81 A A E -N 54 0C 42 -13,-2.0 -13,-2.9 -2,-0.1 2,-0.4 -0.981 14.6-138.2-154.5 141.0 19.2 69.0 61.7 68 82 A V E -N 53 0C 72 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.819 19.6-166.9-102.3 139.8 17.4 67.7 58.6 69 83 A H E -N 52 0C 10 -17,-2.8 -17,-3.1 -2,-0.4 2,-0.3 -0.986 15.5-131.6-130.6 139.0 19.4 66.4 55.6 70 84 A E E -N 51 0C 93 -2,-0.4 25,-3.1 -19,-0.2 2,-0.5 -0.614 26.3-117.2 -86.6 146.7 18.3 65.6 52.1 71 85 A V E -O 94 0C 36 -21,-0.5 23,-0.3 -2,-0.3 3,-0.1 -0.725 27.1-178.6 -88.0 127.1 19.2 62.3 50.4 72 86 A E E S+ 0 0 99 21,-3.0 2,-0.4 -2,-0.5 22,-0.2 0.886 72.0 11.6 -88.5 -46.8 21.5 62.6 47.4 73 87 A V E -O 93 0C 61 20,-2.1 20,-3.0 2,-0.0 2,-0.6 -0.998 61.0-151.9-139.4 134.3 21.7 58.9 46.5 74 88 A V E -O 92 0C 70 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.919 10.7-164.4-104.8 120.7 19.8 55.8 47.7 75 89 A I E -O 91 0C 26 16,-3.0 16,-2.3 -2,-0.6 2,-0.4 -0.839 11.2-175.0-109.2 95.6 21.8 52.6 47.5 76 90 A K E -O 90 0C 86 -2,-0.8 2,-0.3 14,-0.2 14,-0.2 -0.763 32.5-111.7 -94.4 132.8 19.5 49.7 47.9 77 91 A H > - 0 0 14 12,-1.8 3,-1.5 -2,-0.4 12,-0.1 -0.458 23.9-143.6 -62.0 122.3 20.8 46.1 48.1 78 92 A N T 3 S+ 0 0 134 -2,-0.3 -1,-0.2 1,-0.3 -2,-0.0 0.592 93.0 62.2 -65.6 -13.5 19.7 44.5 44.8 79 93 A R T 3 S+ 0 0 176 8,-0.1 -1,-0.3 2,-0.0 7,-0.2 0.441 77.3 116.7 -93.2 0.9 19.1 41.1 46.4 80 94 A F < + 0 0 10 -3,-1.5 2,-0.3 7,-0.2 7,-0.2 -0.429 35.5 169.7 -71.7 143.2 16.4 42.3 48.7 81 95 A T B >>> -Q 86 0E 62 5,-0.7 4,-3.3 -2,-0.1 3,-1.0 -0.959 39.5-136.7-152.8 134.3 12.8 41.0 48.3 82 96 A K T 345S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.712 101.4 74.6 -63.7 -17.5 9.8 41.4 50.5 83 97 A E T 345S+ 0 0 176 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.906 121.0 4.9 -60.9 -43.5 9.2 37.7 49.9 84 98 A T T <45S- 0 0 77 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.602 85.0-136.2-115.3 -22.4 12.1 36.7 52.2 85 99 A Y T ><5 + 0 0 73 -4,-3.3 3,-0.6 1,-0.2 2,-0.2 0.748 54.2 149.3 66.2 23.2 13.2 40.0 53.7 86 100 A D B 3 < +Q 81 0E 21 -5,-0.5 -5,-0.7 1,-0.2 -1,-0.2 -0.546 57.2 26.0 -84.8 155.9 16.7 38.8 53.1 87 101 A F T 3 S+ 0 0 46 1,-0.2 2,-2.2 -2,-0.2 -1,-0.2 0.877 76.1 176.4 59.2 38.5 19.4 41.4 52.4 88 102 A D < + 0 0 0 -3,-0.6 2,-0.3 79,-0.2 -1,-0.2 -0.507 34.6 113.5 -77.5 80.4 17.4 44.0 54.3 89 103 A I + 0 0 0 -2,-2.2 -12,-1.8 -49,-0.3 2,-0.3 -0.996 33.9 167.6-154.3 142.9 20.0 46.7 53.9 90 104 A A E -MO 39 76C 0 -51,-2.4 -51,-2.4 -2,-0.3 2,-0.4 -0.988 20.3-142.7-151.7 154.1 20.5 50.1 52.2 91 105 A V E -MO 38 75C 0 -16,-2.3 -16,-3.0 -2,-0.3 2,-0.5 -0.977 12.1-149.6-124.0 137.8 22.9 53.0 52.4 92 106 A L E -MO 37 74C 0 -55,-3.2 -55,-2.2 -2,-0.4 2,-0.7 -0.924 0.9-156.3-111.7 127.2 22.0 56.6 52.1 93 107 A R E -MO 36 73C 66 -20,-3.0 -21,-3.0 -2,-0.5 -20,-2.1 -0.903 23.1-142.2-100.1 113.3 24.4 59.2 50.6 94 108 A L E - 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