==== 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 2P93 . 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) . 13908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 61.2 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 . 84 29.4 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 . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.5 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 2 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 . 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 3 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,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 126.4 10.9 50.3 71.8 2 17 A V B -A 179 0A 9 177,-3.5 177,-1.4 142,-0.0 2,-0.2 -0.874 360.0 -20.5 -98.6 121.4 8.9 48.3 74.3 3 18 A G S S+ 0 0 26 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.519 92.6 101.0 81.8-150.6 10.3 48.7 77.8 4 19 A G S S- 0 0 18 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.113 73.4 -75.5 64.9-166.4 13.8 49.8 78.3 5 20 A Q E -B 145 0B 147 140,-1.9 140,-3.0 1,-0.1 3,-0.0 -0.841 44.1 -87.3-129.7 164.3 14.7 53.4 79.2 6 21 A E E -B 144 0B 67 -2,-0.3 2,-0.8 138,-0.2 138,-0.3 -0.307 44.1-109.5 -66.1 153.2 14.9 56.8 77.6 7 22 A a - 0 0 2 136,-2.4 136,-0.2 50,-0.2 3,-0.1 -0.789 41.5-146.2 -83.4 114.3 18.2 57.8 75.9 8 23 A K > - 0 0 114 -2,-0.8 3,-2.6 1,-0.2 4,-0.3 -0.324 44.0 -50.2 -77.8 168.8 19.5 60.4 78.2 9 24 A D T 3 S- 0 0 81 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.112 126.4 -4.0 -44.7 115.5 21.4 63.4 77.0 10 25 A G T 3 S+ 0 0 0 -3,-0.1 275,-1.3 276,-0.1 -1,-0.3 0.536 99.2 113.0 78.1 11.3 24.2 62.3 74.7 11 26 A E S < S+ 0 0 53 -3,-2.6 -2,-0.1 1,-0.2 3,-0.1 0.648 82.5 30.3 -89.8 -16.9 23.7 58.5 75.1 12 27 A a > + 0 0 9 -4,-0.3 3,-1.7 273,-0.1 -1,-0.2 -0.322 67.6 150.8-138.5 53.9 22.5 57.5 71.6 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.2 0.685 69.0 61.8 -60.3 -22.9 24.3 60.1 69.3 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-2.6 92,-0.1 93,-0.2 0.472 76.7 115.7 -84.6 -3.1 24.4 57.6 66.4 15 30 A Q E < -J 30 0C 9 -3,-1.7 40,-0.6 15,-0.2 2,-0.3 -0.469 43.7-173.3 -70.4 136.2 20.7 57.4 66.1 16 31 A A E -JK 29 54C 1 13,-2.3 13,-1.5 -2,-0.2 2,-0.4 -0.941 10.4-149.2-127.5 150.1 19.2 58.7 62.9 17 32 A L E -JK 28 53C 3 36,-2.6 36,-2.8 -2,-0.3 2,-0.5 -0.983 7.3-142.6-125.4 128.6 15.5 59.1 62.1 18 33 A L E -JK 27 52C 0 9,-2.9 8,-2.1 -2,-0.4 9,-1.0 -0.790 23.1-168.1 -90.3 125.7 13.9 58.8 58.6 19 34 A I E -JK 25 51C 0 32,-2.5 32,-2.3 -2,-0.5 6,-0.2 -0.931 8.2-143.1-118.4 138.6 11.1 61.3 58.2 20 35 A N E > - K 0 50C 28 4,-2.1 3,-2.7 -2,-0.4 30,-0.2 -0.111 46.1 -75.4 -85.5-171.7 8.6 61.5 55.4 21 36 A E T 3 S+ 0 0 124 28,-0.6 29,-0.1 1,-0.3 -1,-0.1 0.803 133.6 56.9 -54.9 -32.0 7.0 64.4 53.6 22 37 A E T 3 S- 0 0 142 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.366 116.3-118.2 -82.4 6.1 4.8 65.0 56.6 23 38 A N S < S+ 0 0 95 -3,-2.7 2,-0.4 1,-0.2 -2,-0.1 0.744 70.7 135.2 63.0 26.2 8.1 65.3 58.7 24 39 A E - 0 0 106 1,-0.0 -4,-2.1 2,-0.0 2,-0.2 -0.846 58.4-113.1-107.5 141.8 7.0 62.3 60.8 25 40 A G E +J 19 0C 18 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.525 39.1 161.7 -76.0 135.5 9.4 59.4 61.6 26 41 A F E + 0 0 21 -8,-2.1 2,-0.3 1,-0.4 159,-0.2 0.473 67.1 8.5-125.3 -14.0 8.7 56.0 60.2 27 42 A b E -J 18 0C 2 -9,-1.0 -9,-2.9 157,-0.1 -1,-0.4 -0.977 64.3-125.8-160.0 167.9 12.1 54.3 60.6 28 43 A G E -J 17 0C 2 157,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.474 18.8-175.2-110.6-176.0 15.5 54.7 62.2 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-2.3 -2,-0.2 2,-0.4 -0.948 24.0-113.6-168.1 169.8 19.1 54.5 60.9 30 45 A T E -JL 15 38C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.979 25.4-124.2-121.2 131.7 22.7 54.6 62.3 31 46 A I E + L 0 37C 0 -17,-2.6 76,-2.3 -2,-0.4 6,-0.2 -0.610 30.9 173.5 -74.0 122.2 25.1 57.4 61.5 32 47 A L - 0 0 14 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.756 63.3 -32.7 -98.8 -29.3 28.2 55.8 60.0 33 48 A S S S- 0 0 34 3,-1.3 -1,-0.3 72,-0.1 65,-0.1 -0.909 82.7 -65.9-170.4-171.3 30.2 58.9 59.1 34 49 A E S S+ 0 0 99 -2,-0.3 64,-2.7 1,-0.2 62,-0.1 0.836 132.3 29.2 -67.1 -27.3 29.5 62.5 58.0 35 50 A F S S+ 0 0 52 62,-0.2 59,-2.8 58,-0.1 2,-0.4 0.566 110.6 72.6-108.2 -8.6 28.0 61.4 54.7 36 51 A Y E - M 0 93C 8 57,-0.2 -4,-2.7 -3,-0.1 -3,-1.3 -0.909 45.7-173.8-124.6 140.7 26.5 58.0 55.4 37 52 A I E -LM 31 92C 0 55,-2.3 55,-2.9 -2,-0.4 2,-0.4 -0.953 17.5-144.5-121.0 138.7 23.6 56.5 57.1 38 53 A L E +LM 30 91C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.876 35.5 147.8-102.5 134.8 23.0 52.7 57.6 39 54 A T E - M 0 90C 0 51,-3.0 51,-1.8 -2,-0.4 2,-0.4 -0.869 47.0 -76.0-151.6-174.7 19.4 51.5 57.5 40 55 A A > - 0 0 0 -12,-0.4 3,-1.2 -2,-0.2 4,-0.5 -0.754 28.4-138.9 -94.3 139.7 17.0 48.7 56.5 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.3 1,-0.2 4,-0.4 0.877 101.1 61.7 -62.5 -39.4 16.1 48.1 52.9 42 57 A H G 3 S+ 0 0 13 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.618 93.3 67.2 -65.2 -10.3 12.5 47.5 53.7 43 58 A b G X S+ 0 0 0 -3,-1.2 3,-1.8 1,-0.2 -1,-0.2 0.789 84.9 68.1 -78.4 -30.5 12.2 51.0 55.0 44 59 A L G X S+ 0 0 24 -3,-1.3 3,-0.6 -4,-0.5 -1,-0.2 0.725 97.6 55.1 -61.3 -21.7 12.7 52.6 51.6 45 60 A Y G 3 S+ 0 0 119 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.537 91.4 74.1 -88.5 -8.0 9.3 51.2 50.6 46 61 A Q G < S+ 0 0 102 -3,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.307 104.3 27.5 -88.5 9.4 7.6 52.9 53.6 47 61AA A < - 0 0 19 -3,-0.6 3,-0.2 1,-0.1 -1,-0.2 -0.895 60.7-141.7-170.4 137.8 7.7 56.4 52.1 48 62 A K S S+ 0 0 180 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.987 94.6 5.5 -63.7 -61.6 7.8 58.0 48.6 49 63 A R S S+ 0 0 158 2,-0.0 -28,-0.6 0, 0.0 2,-0.3 -0.991 76.4 167.3-128.7 136.4 10.3 60.8 49.6 50 64 A F E -K 20 0C 31 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.960 20.3-149.6-145.8 161.6 12.1 61.2 52.9 51 65 A K E -KN 19 70C 53 -32,-2.3 -32,-2.5 -2,-0.3 2,-0.5 -0.765 25.2-114.1-124.0 170.0 14.9 63.1 54.6 52 66 A V E -KN 18 69C 0 17,-3.2 17,-3.0 -2,-0.2 2,-0.4 -0.942 25.5-166.3-114.2 122.4 17.2 62.1 57.5 53 67 A R E -KN 17 68C 36 -36,-2.8 -36,-2.6 -2,-0.5 2,-0.3 -0.887 8.7-177.5-107.8 137.6 17.1 63.9 60.8 54 68 A V E +KN 16 67C 2 13,-2.5 13,-1.6 -2,-0.4 -38,-0.1 -0.896 56.2 38.7-129.9 159.6 19.8 63.6 63.4 55 69 A G S S+ 0 0 7 -40,-0.6 2,-0.4 48,-0.5 10,-0.2 0.643 79.0 133.2 78.3 16.8 20.3 64.9 66.9 56 70 A D + 0 0 13 -41,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.798 19.9 156.8-103.9 142.0 16.7 64.5 68.0 57 71 A R S S+ 0 0 48 -2,-0.4 86,-2.2 1,-0.2 2,-0.4 0.437 76.0 42.7-132.3 -15.6 15.5 63.0 71.3 58 72 A N B > -P 142 0D 7 84,-0.2 3,-0.9 3,-0.2 -1,-0.2 -0.895 56.7-175.6-139.4 101.8 12.1 64.5 71.7 59 73 A T T 3 S+ 0 0 53 82,-2.6 3,-0.2 -2,-0.4 83,-0.1 0.681 74.8 83.2 -68.9 -20.3 10.0 64.7 68.5 60 74 A E T 3 S- 0 0 133 81,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.826 108.6 -1.7 -55.1 -35.7 7.4 66.7 70.4 61 75 A Q S < S- 0 0 93 -3,-0.9 -1,-0.2 0, 0.0 -3,-0.2 -0.938 73.4-111.9-163.4 136.9 9.3 69.9 69.9 62 76 A E + 0 0 132 -2,-0.3 -3,-0.1 -3,-0.2 -6,-0.0 -0.410 29.0 177.4 -66.8 140.3 12.5 71.1 68.3 63 77 A E - 0 0 101 -2,-0.1 -1,-0.1 -5,-0.1 -7,-0.0 0.675 54.0 -87.3-117.3 -31.2 15.1 72.4 70.7 64 78 A G S S+ 0 0 46 -9,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.306 107.6 78.6 140.7 -11.1 18.2 73.4 68.7 65 79 A G + 0 0 8 -10,-0.2 -9,-0.1 36,-0.0 2,-0.1 0.459 69.6 104.6-104.2 -1.3 20.4 70.3 68.2 66 80 A E - 0 0 33 -13,-0.0 2,-0.3 38,-0.0 -11,-0.2 -0.324 46.2-171.7 -77.6 161.1 18.4 68.7 65.4 67 81 A A E -N 54 0C 27 -13,-1.6 -13,-2.5 -2,-0.1 2,-0.4 -0.919 13.3-148.9-157.4 126.3 19.4 68.7 61.8 68 82 A V E -N 53 0C 81 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.817 16.9-168.0 -97.5 135.6 17.6 67.5 58.7 69 83 A H E -N 52 0C 11 -17,-3.0 -17,-3.2 -2,-0.4 2,-0.2 -0.989 16.6-132.2-127.7 131.8 19.6 66.1 55.8 70 84 A E E -N 51 0C 98 -2,-0.4 25,-2.6 -19,-0.2 26,-0.4 -0.581 26.5-119.1 -81.5 142.8 18.5 65.4 52.3 71 85 A V E +O 94 0C 36 -21,-0.5 23,-0.2 -2,-0.2 3,-0.1 -0.690 29.8 178.2 -84.4 130.6 19.4 62.1 50.8 72 86 A E E S+ 0 0 102 21,-2.8 2,-0.5 -2,-0.4 22,-0.2 0.878 70.6 20.0 -94.4 -52.9 21.5 62.2 47.7 73 87 A V E -O 93 0C 54 20,-1.7 20,-2.4 2,-0.0 2,-0.6 -0.966 63.2-159.6-127.8 118.5 22.1 58.5 46.9 74 88 A V E -O 92 0C 71 -2,-0.5 2,-0.6 18,-0.2 18,-0.2 -0.850 10.4-170.1 -96.2 124.1 20.0 55.6 48.1 75 89 A I E +O 91 0C 36 16,-2.4 16,-2.6 -2,-0.6 2,-0.3 -0.879 6.8 179.3-119.0 98.2 21.9 52.3 48.0 76 90 A K E -O 90 0C 74 -2,-0.6 2,-0.3 14,-0.2 14,-0.2 -0.712 38.6-102.6 -96.9 149.3 19.7 49.3 48.6 77 91 A H > - 0 0 15 12,-1.7 3,-1.7 -2,-0.3 12,-0.1 -0.567 26.5-138.1 -71.0 126.6 21.1 45.7 48.5 78 92 A N T 3 S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.3 9,-0.0 0.531 97.0 61.7 -64.2 -6.4 20.0 44.2 45.2 79 93 A R T 3 S+ 0 0 153 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.347 73.8 116.7-103.8 6.4 19.2 40.9 46.9 80 94 A F < - 0 0 16 -3,-1.7 2,-0.3 7,-0.2 7,-0.2 -0.538 38.7-179.4 -77.0 139.8 16.4 42.1 49.3 81 95 A T >> - 0 0 62 5,-0.7 4,-2.9 -2,-0.2 3,-1.0 -0.997 34.5-136.9-142.2 134.6 12.9 40.7 48.8 82 96 A K T 34 S+ 0 0 101 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.706 101.8 69.8 -60.2 -19.9 9.7 41.5 50.8 83 97 A E T 34 S+ 0 0 174 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.863 121.0 6.9 -67.6 -40.0 9.1 37.7 50.7 84 98 A T T <4 S- 0 0 72 -3,-1.0 -2,-0.2 2,-0.1 81,-0.2 0.587 85.3-133.5-118.2 -19.7 11.9 36.7 53.1 85 99 A Y >< + 0 0 56 -4,-2.9 3,-0.6 1,-0.2 2,-0.2 0.775 53.9 151.3 65.7 27.6 13.2 40.0 54.4 86 100 A D T 3 + 0 0 25 -5,-0.5 -5,-0.7 1,-0.2 -1,-0.2 -0.546 58.6 25.4 -86.5 155.0 16.7 38.7 53.7 87 101 A F T 3 S+ 0 0 46 1,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.891 78.4 173.9 57.5 38.3 19.5 41.2 52.8 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.1 -1,-0.2 -0.526 34.4 108.0 -80.0 77.9 17.5 43.8 54.7 89 103 A I + 0 0 0 -2,-2.1 -12,-1.7 -49,-0.2 2,-0.3 -0.990 35.6 166.8-152.3 154.0 20.1 46.5 54.5 90 104 A A E -MO 39 76C 0 -51,-1.8 -51,-3.0 -2,-0.3 2,-0.4 -0.962 20.6-142.2-164.9 153.2 20.8 49.8 52.7 91 105 A V E -MO 38 75C 0 -16,-2.6 -16,-2.4 -2,-0.3 2,-0.4 -0.978 12.3-154.3-125.7 138.8 23.2 52.7 52.9 92 106 A L E -MO 37 74C 0 -55,-2.9 -55,-2.3 -2,-0.4 2,-0.5 -0.920 3.1-153.5-114.2 135.3 22.3 56.4 52.3 93 107 A R E -MO 36 73C 58 -20,-2.4 -21,-2.8 -2,-0.4 -20,-1.7 -0.938 20.8-139.4-106.1 129.1 24.7 59.1 51.2 94 108 A L E - 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