==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-NOV-09 3KQB . COMPND 2 MOLECULE: FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SHERIFF . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 60.8 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 5.9 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 1 2 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 3 1 4 4 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,-0.3 0.000 360.0 360.0 360.0 129.2 39.4 22.3 6.4 2 17 A V B -A 179 0A 16 177,-3.8 177,-1.2 142,-0.0 132,-0.1 -0.861 360.0 -20.5 -96.1 123.9 37.2 24.3 3.9 3 18 A G S S+ 0 0 28 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.435 95.4 104.0 74.4-148.9 38.6 23.7 0.4 4 19 A G S S- 0 0 17 -2,-0.1 2,-0.3 140,-0.1 142,-0.2 -0.378 71.0 -70.9 73.9-156.5 42.2 22.6 0.2 5 20 A Q E -B 145 0B 122 140,-2.8 140,-3.6 -2,-0.1 2,-0.1 -0.958 40.2 -94.7-140.3 158.2 43.3 19.1 -0.6 6 21 A E E -B 144 0B 62 -2,-0.3 2,-0.7 138,-0.3 138,-0.3 -0.385 42.4-111.9 -67.5 145.2 43.4 15.7 0.9 7 22 A a - 0 0 2 136,-2.7 136,-0.2 50,-0.2 3,-0.1 -0.783 39.6-148.2 -79.2 117.7 46.7 14.7 2.7 8 23 A K > - 0 0 106 -2,-0.7 3,-2.3 1,-0.2 4,-0.4 -0.227 44.0 -50.1 -80.1 171.6 48.0 11.9 0.4 9 24 A D T 3 S- 0 0 75 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.236 126.9 -3.9 -50.7 119.0 50.1 9.0 1.7 10 25 A G T 3 S+ 0 0 0 -3,-0.1 275,-2.2 2,-0.1 -1,-0.3 0.464 101.2 112.0 77.0 5.5 52.9 10.3 3.9 11 26 A E S < S+ 0 0 54 -3,-2.3 -2,-0.1 1,-0.2 3,-0.1 0.750 84.7 25.8 -80.1 -30.0 52.2 14.0 3.4 12 27 A a S > S+ 0 0 9 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.489 70.9 152.8-130.6 55.0 50.9 15.1 6.8 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.6 0, 0.0 42,-0.3 0.670 67.6 62.4 -67.0 -15.5 52.7 12.5 9.1 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-2.8 92,-0.1 2,-0.2 0.392 76.4 117.5 -88.3 -1.2 52.7 14.8 12.2 15 30 A Q E < -J 30 0C 9 -3,-1.6 40,-0.6 15,-0.2 2,-0.3 -0.512 41.9-175.0 -71.8 132.7 48.9 15.0 12.3 16 31 A A E -JK 29 54C 1 13,-2.2 13,-1.6 -2,-0.2 2,-0.4 -0.905 12.6-146.2-123.7 150.8 47.3 13.6 15.5 17 32 A L E -JK 28 53C 3 36,-2.7 36,-3.4 -2,-0.3 2,-0.5 -0.990 7.3-141.8-122.9 126.5 43.5 13.3 16.1 18 33 A L E -JK 27 52C 0 9,-3.4 8,-2.4 -2,-0.4 9,-1.0 -0.765 24.9-168.4 -87.6 124.9 41.9 13.8 19.6 19 34 A I E -JK 25 51C 2 32,-2.4 32,-2.6 -2,-0.5 6,-0.2 -0.964 8.7-143.1-120.8 133.0 39.1 11.2 19.9 20 35 A N E > - K 0 50C 29 4,-2.0 3,-2.2 -2,-0.4 30,-0.2 -0.141 43.9 -79.2 -82.6-174.4 36.4 11.2 22.7 21 36 A E T 3 S+ 0 0 123 28,-0.6 29,-0.1 1,-0.3 -1,-0.0 0.825 131.6 58.4 -52.2 -38.2 34.8 8.1 24.4 22 37 A E T 3 S- 0 0 155 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.307 117.9-114.9 -75.0 4.2 32.5 7.6 21.3 23 38 A N S < S+ 0 0 94 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.744 72.0 136.3 62.1 30.6 35.7 7.2 19.2 24 39 A E - 0 0 101 -4,-0.0 -4,-2.0 2,-0.0 -1,-0.2 -0.928 57.3-117.8-112.1 131.3 34.9 10.5 17.2 25 40 A G E +J 19 0C 17 -2,-0.4 -6,-0.2 -6,-0.2 114,-0.1 -0.338 38.8 161.7 -61.7 136.4 37.6 13.1 16.4 26 41 A F E + 0 0 25 -8,-2.4 2,-0.3 1,-0.5 157,-0.2 0.523 62.7 15.2-131.4 -19.6 36.9 16.5 17.9 27 42 A b E -J 18 0C 3 -9,-1.0 -9,-3.4 157,-0.1 -1,-0.5 -0.982 67.6-122.9-152.6 157.4 40.3 18.3 17.7 28 43 A G E -J 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.419 21.5-169.8 -95.1 176.8 43.7 18.0 16.0 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-2.2 -2,-0.1 2,-0.4 -0.956 19.8-123.3-156.5 162.9 47.2 17.7 17.5 30 45 A T E -JL 15 38C 0 8,-3.0 8,-2.7 -2,-0.3 2,-0.5 -0.981 22.5-128.9-116.3 131.9 50.8 17.9 16.3 31 46 A I E + L 0 37C 0 -17,-2.8 76,-2.5 -2,-0.4 6,-0.2 -0.661 31.4 170.5 -75.3 122.7 53.3 15.0 17.0 32 47 A L - 0 0 14 4,-2.8 2,-0.3 -2,-0.5 5,-0.2 0.677 65.2 -24.8-103.5 -29.5 56.4 16.5 18.6 33 48 A S S S- 0 0 32 3,-1.2 -1,-0.4 72,-0.1 3,-0.1 -0.898 85.1 -72.0-166.6-177.4 58.3 13.3 19.6 34 49 A E S S+ 0 0 97 -2,-0.3 64,-3.2 1,-0.2 62,-0.1 0.763 132.1 30.0 -65.5 -25.7 57.3 9.7 20.4 35 50 A F S S+ 0 0 47 62,-0.2 59,-2.9 58,-0.1 2,-0.4 0.557 109.5 77.2-106.9 -14.3 55.8 10.7 23.8 36 51 A Y E - M 0 93C 9 57,-0.2 -4,-2.8 -3,-0.1 -3,-1.2 -0.886 45.4-177.5-117.4 137.1 54.5 14.3 23.1 37 52 A I E -LM 31 92C 0 55,-2.4 55,-3.2 -2,-0.4 2,-0.4 -0.963 16.7-147.2-122.4 134.6 51.5 15.9 21.3 38 53 A L E +LM 30 91C 0 -8,-2.7 -8,-3.0 -2,-0.4 2,-0.2 -0.886 34.0 149.4-100.9 133.6 51.0 19.7 20.9 39 54 A T E - M 0 90C 0 51,-2.7 51,-2.3 -2,-0.4 2,-0.3 -0.830 48.0 -77.5-148.4-177.2 47.3 20.8 20.9 40 55 A A > - 0 0 0 -12,-0.4 3,-1.0 49,-0.2 4,-0.4 -0.755 29.6-136.6 -91.8 140.7 45.0 23.8 21.9 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 4,-0.2 0.885 104.7 60.6 -60.1 -40.2 44.0 24.3 25.6 42 57 A H G > S+ 0 0 12 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.673 92.2 67.9 -63.0 -21.6 40.4 24.9 24.6 43 58 A b G X S+ 0 0 0 -3,-1.0 3,-1.3 1,-0.2 4,-0.3 0.726 85.5 69.7 -65.6 -29.8 40.2 21.4 23.1 44 59 A L G < S+ 0 0 28 -3,-1.6 -1,-0.2 -4,-0.4 3,-0.2 0.590 95.3 55.2 -67.9 -9.4 40.5 19.9 26.6 45 60 A Y G < S+ 0 0 144 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.523 90.5 74.7 -95.4 -13.2 36.9 21.2 27.3 46 61 A Q S < S+ 0 0 101 -3,-1.3 2,-0.3 -4,-0.2 -2,-0.2 0.597 107.2 18.6 -76.0 -15.8 35.4 19.4 24.3 47 61AA A - 0 0 15 -4,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.972 58.2-143.6-157.7 145.5 35.6 15.9 26.0 48 62 A K S S+ 0 0 104 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.956 96.4 18.3 -73.5 -56.8 35.9 14.5 29.5 49 63 A R S S+ 0 0 147 2,-0.0 -28,-0.6 0, 0.0 2,-0.3 -0.960 80.9 171.6-117.9 131.1 38.1 11.4 28.6 50 64 A F E -K 20 0C 26 -2,-0.4 21,-0.5 -30,-0.2 -30,-0.2 -0.996 18.5-155.9-143.4 153.6 40.0 11.4 25.3 51 65 A K E -KN 19 70C 63 -32,-2.6 -32,-2.4 -2,-0.3 2,-0.5 -0.670 22.6-116.4-117.5 171.2 42.6 9.4 23.4 52 66 A V E -KN 18 69C 0 17,-3.1 17,-2.8 -2,-0.2 2,-0.4 -0.958 20.3-161.6-117.6 121.3 45.1 10.3 20.6 53 67 A R E -KN 17 68C 12 -36,-3.4 -36,-2.7 -2,-0.5 2,-0.3 -0.871 13.1-178.8-102.0 130.3 44.9 8.7 17.2 54 68 A V E +KN 16 67C 2 13,-2.4 13,-1.8 -2,-0.4 -38,-0.1 -0.838 61.0 29.6-122.6 160.8 48.0 8.8 14.9 55 69 A G S S+ 0 0 4 -40,-0.6 2,-0.4 48,-0.6 11,-0.2 0.549 84.3 137.0 66.2 9.5 48.7 7.5 11.3 56 70 A D + 0 0 8 -41,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.723 17.1 154.1 -89.7 132.3 45.0 8.0 10.6 57 71 A R S S+ 0 0 55 -2,-0.4 86,-2.8 1,-0.3 2,-0.4 0.541 75.6 35.0-123.8 -27.5 44.1 9.6 7.2 58 72 A N B > -P 142 0D 15 3,-0.3 3,-0.5 84,-0.2 -1,-0.3 -0.966 63.1-161.1-135.5 109.5 40.6 8.1 6.8 59 73 A T T 3 S+ 0 0 49 82,-2.9 83,-0.1 -2,-0.4 -1,-0.1 0.610 90.1 59.9 -66.7 -15.8 38.4 7.6 9.9 60 74 A E T 3 S+ 0 0 138 81,-0.4 2,-0.5 1,-0.1 -1,-0.2 0.824 100.2 60.3 -80.9 -35.7 36.1 5.1 8.1 61 75 A Q S < S- 0 0 128 -3,-0.5 2,-0.7 0, 0.0 -3,-0.3 -0.873 79.7-134.3-103.8 123.9 38.9 2.6 7.3 62 76 A E - 0 0 189 -2,-0.5 -3,-0.1 1,-0.1 -6,-0.0 -0.644 41.8-164.1 -72.7 106.5 41.0 0.9 10.0 63 77 A E - 0 0 54 -2,-0.7 2,-0.4 -5,-0.1 -1,-0.1 0.100 21.3 -99.5 -82.4-165.8 44.4 1.4 8.4 64 78 A G S S+ 0 0 68 -9,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.992 109.4 24.1-121.6 126.7 47.9 -0.0 8.9 65 79 A G S S+ 0 0 30 -2,-0.4 2,-0.3 1,-0.4 34,-0.1 0.140 92.7 130.0 98.4 -15.2 50.3 2.1 11.0 66 80 A E + 0 0 46 -11,-0.2 -1,-0.4 -13,-0.1 2,-0.3 -0.543 34.9 176.6 -72.7 128.4 47.2 3.6 12.6 67 81 A A E -N 54 0C 36 -13,-1.8 -13,-2.4 -2,-0.3 2,-0.4 -0.998 27.8-139.1-144.1 144.9 47.5 3.6 16.4 68 82 A V E -N 53 0C 71 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.887 21.9-168.6-103.7 130.7 45.5 4.8 19.5 69 83 A H E -N 52 0C 12 -17,-2.8 -17,-3.1 -2,-0.4 2,-0.2 -0.972 13.8-137.3-125.0 133.2 47.5 6.3 22.4 70 84 A E E -N 51 0C 79 -2,-0.4 25,-2.6 -19,-0.2 2,-0.5 -0.592 25.0-115.6 -87.1 149.6 46.2 7.0 25.9 71 85 A V E +O 94 0C 34 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.755 29.6 176.6 -90.0 127.5 47.2 10.3 27.6 72 86 A E E S+ 0 0 104 21,-2.8 2,-0.4 -2,-0.5 22,-0.2 0.905 73.0 21.4 -87.4 -56.2 49.2 10.0 30.8 73 87 A V E -O 93 0C 51 20,-1.6 20,-3.0 2,-0.0 2,-0.5 -0.958 58.0-160.4-123.0 134.4 49.7 13.8 31.4 74 88 A V E -O 92 0C 72 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.952 11.1-167.5-108.1 118.3 47.8 16.8 30.2 75 89 A I E -O 91 0C 31 16,-2.9 16,-2.8 -2,-0.5 2,-0.3 -0.927 12.6-177.2-112.9 98.4 49.9 20.0 30.6 76 90 A K E -O 90 0C 71 -2,-0.7 2,-0.5 14,-0.2 14,-0.2 -0.795 33.1-111.2 -99.6 140.4 47.6 23.0 30.1 77 91 A H > - 0 0 18 12,-1.6 3,-1.9 -2,-0.3 12,-0.1 -0.637 22.5-146.3 -73.5 116.2 48.7 26.6 30.1 78 92 A N T 3 S+ 0 0 144 -2,-0.5 -1,-0.1 1,-0.3 9,-0.0 0.570 93.1 64.9 -59.7 -14.6 47.3 28.2 33.3 79 93 A R T 3 S+ 0 0 161 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.417 75.8 115.5 -91.1 -0.8 46.8 31.6 31.6 80 94 A F < + 0 0 22 -3,-1.9 2,-0.3 7,-0.2 7,-0.2 -0.530 36.2 168.2 -74.7 139.9 44.2 30.3 29.1 81 95 A T >> - 0 0 50 5,-0.7 4,-2.8 -2,-0.2 3,-1.1 -0.989 41.1-133.4-149.0 140.1 40.6 31.7 29.3 82 96 A K T 34 S+ 0 0 131 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.652 102.9 69.0 -65.4 -16.3 37.6 31.4 27.0 83 97 A E T 34 S+ 0 0 156 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.771 121.7 11.9 -73.6 -29.7 37.1 35.2 27.4 84 98 A T T <4 S- 0 0 72 -3,-1.1 -2,-0.2 2,-0.1 81,-0.2 0.624 84.3-139.2-116.7 -28.5 40.2 36.0 25.4 85 99 A Y >< + 0 0 70 -4,-2.8 3,-0.6 1,-0.2 -3,-0.1 0.619 54.5 149.1 66.0 16.8 41.3 32.7 23.8 86 100 A D T 3 + 0 0 22 -5,-0.4 -5,-0.7 1,-0.2 -1,-0.2 -0.428 55.5 24.0 -75.9 155.8 44.8 33.8 24.8 87 101 A F T 3 S+ 0 0 46 1,-0.2 2,-2.3 -7,-0.2 -10,-0.3 0.857 75.1 175.5 56.8 40.3 47.5 31.2 25.7 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.1 131,-0.2 -0.468 35.3 114.6 -80.5 72.1 45.5 28.6 23.6 89 103 A I + 0 0 0 -2,-2.3 -12,-1.6 -49,-0.2 2,-0.3 -0.998 34.2 167.6-144.8 142.5 48.2 25.8 24.1 90 104 A A E -MO 39 76C 0 -51,-2.3 -51,-2.7 -2,-0.3 2,-0.4 -0.979 19.5-147.1-149.8 153.5 48.5 22.4 25.7 91 105 A V E -MO 38 75C 0 -16,-2.8 -16,-2.9 -2,-0.3 2,-0.4 -0.983 13.0-155.9-121.2 133.6 51.0 19.6 25.7 92 106 A L E -MO 37 74C 0 -55,-3.2 -55,-2.4 -2,-0.4 2,-0.5 -0.948 3.3-154.1-112.9 132.2 50.0 15.9 26.1 93 107 A R E -MO 36 73C 60 -20,-3.0 -21,-2.8 -2,-0.4 -20,-1.6 -0.906 20.9-138.7-100.3 125.8 52.3 13.2 27.3 94 108 A L E - 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