==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUL-01 1IQG . COMPND 2 MOLECULE: COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.SHIROMIZU,T.MATSUSUE . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 62.6 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 . 81 28.3 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 . 1 0.3 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 . 27 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.8 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 1 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 . 4 3 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,-0.6 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 119.9 14.1 32.1 10.7 2 17 A V B -A 179 0A 11 177,-2.7 177,-1.2 142,-0.0 2,-0.2 -0.895 360.0 -20.9-101.0 120.6 12.1 34.6 8.7 3 18 A G S S+ 0 0 26 -2,-0.6 175,-0.1 130,-0.4 142,-0.1 -0.524 92.6 109.3 79.5-151.2 12.5 38.1 10.0 4 19 A G S S- 0 0 16 -2,-0.2 142,-0.2 143,-0.1 2,-0.1 -0.019 70.2 -73.3 71.0 178.3 13.6 38.4 13.6 5 20 A Q E -B 145 0B 138 140,-1.5 140,-2.3 1,-0.1 2,-0.3 -0.435 47.1 -90.8-104.3 179.8 17.0 39.6 14.8 6 21 A E E -B 144 0B 63 138,-0.2 2,-0.8 -2,-0.1 138,-0.3 -0.688 41.5-110.8 -90.5 143.3 20.5 38.1 14.8 7 22 A a - 0 0 1 136,-3.0 136,-0.2 -2,-0.3 2,-0.2 -0.680 39.7-145.2 -75.4 113.7 21.5 36.1 17.8 8 23 A K > - 0 0 105 -2,-0.8 3,-3.4 1,-0.2 4,-0.3 -0.519 39.9 -64.4 -81.9 150.2 24.2 38.3 19.4 9 24 A D T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -2,-0.2 94,-0.0 0.015 124.9 4.5 -35.0 115.9 27.2 36.8 21.1 10 25 A G T 3 S+ 0 0 0 -3,-0.1 276,-1.2 277,-0.0 -1,-0.3 0.269 101.0 105.3 89.7 -11.1 25.9 34.9 24.1 11 26 A E S < S+ 0 0 58 -3,-3.4 -2,-0.1 1,-0.2 3,-0.1 0.653 87.7 28.6 -77.0 -20.9 22.2 35.4 23.5 12 27 A a > + 0 0 7 -4,-0.3 3,-1.8 274,-0.1 -1,-0.2 -0.222 67.9 147.3-137.8 49.5 21.3 31.9 22.2 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.5 0, 0.0 42,-0.2 0.639 67.9 65.2 -59.6 -19.6 23.8 29.5 23.9 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.7 92,-0.1 93,-0.2 0.415 77.6 116.0 -87.2 3.8 21.4 26.6 24.1 15 30 A Q E < -J 30 0C 8 -3,-1.8 40,-0.5 15,-0.2 2,-0.3 -0.392 42.5-174.7 -72.9 147.2 21.2 26.3 20.4 16 31 A A E -JK 29 54C 1 13,-1.4 13,-1.1 38,-0.1 2,-0.5 -0.997 11.9-150.0-144.1 141.9 22.4 23.1 18.7 17 32 A L E -JK 28 53C 5 36,-2.7 36,-3.3 -2,-0.3 2,-0.4 -0.962 7.6-145.7-120.6 125.8 22.8 22.3 15.0 18 33 A L E -JK 27 52C 0 9,-2.2 8,-2.3 -2,-0.5 9,-1.1 -0.740 23.6-165.6 -86.1 132.1 22.4 18.8 13.5 19 34 A I E -JK 25 51C 4 32,-2.8 32,-2.2 -2,-0.4 6,-0.2 -0.949 11.7-136.0-124.7 143.2 24.8 18.3 10.6 20 35 A N E > - K 0 50C 11 4,-2.2 3,-2.3 -2,-0.4 30,-0.2 -0.262 40.0 -94.2 -83.8 175.8 24.9 15.7 7.9 21 36 A E T 3 S+ 0 0 99 28,-0.7 29,-0.1 1,-0.3 -1,-0.1 0.838 130.2 63.2 -61.1 -30.8 28.1 13.9 6.7 22 37 A E T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.566 118.4-123.7 -67.9 -5.7 28.1 16.6 4.0 23 38 A N < + 0 0 91 -3,-2.3 2,-0.2 1,-0.3 -2,-0.2 0.544 63.8 142.7 73.8 10.7 28.6 18.7 7.1 24 39 A E - 0 0 116 1,-0.1 -4,-2.2 -5,-0.0 2,-0.6 -0.540 56.8-116.8 -81.9 147.5 25.5 20.8 6.2 25 40 A G E +J 19 0C 20 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.749 44.0 159.9 -84.1 121.4 23.2 22.0 9.0 26 41 A F E + 0 0 25 -8,-2.3 2,-0.3 -2,-0.6 159,-0.3 0.697 56.4 19.7-113.9 -28.9 19.8 20.5 8.4 27 42 A b E -J 18 0C 2 -9,-1.1 -9,-2.2 157,-0.1 -1,-0.2 -0.873 65.5-121.1-138.7 171.8 18.0 20.7 11.8 28 43 A G E -J 17 0C 1 157,-4.9 12,-0.4 -2,-0.3 2,-0.3 -0.525 23.2-178.2-105.9 174.8 17.9 22.4 15.1 29 44 A G E -J 16 0C 0 -13,-1.1 -13,-1.4 -2,-0.2 2,-0.4 -0.978 21.8-124.7-164.9 162.5 18.2 21.2 18.7 30 45 A T E -JL 15 38C 0 8,-2.7 8,-2.9 -2,-0.3 2,-0.6 -0.971 22.2-128.1-121.3 134.6 18.2 22.4 22.3 31 46 A I E + L 0 37C 0 -17,-2.7 76,-2.7 -2,-0.4 6,-0.2 -0.701 32.3 167.9 -80.3 119.7 20.9 21.8 24.8 32 47 A L - 0 0 5 4,-2.5 2,-0.2 -2,-0.6 -1,-0.2 0.826 65.2 -22.7 -96.4 -44.7 19.4 20.3 27.9 33 48 A S S S- 0 0 33 3,-1.3 -1,-0.3 72,-0.1 74,-0.1 -0.791 81.4 -76.3-149.9-170.1 22.5 19.2 29.8 34 49 A E S S+ 0 0 93 -2,-0.2 64,-2.0 1,-0.2 62,-0.1 0.786 131.3 30.7 -70.8 -24.0 26.1 18.3 29.0 35 50 A F S S+ 0 0 51 62,-0.2 59,-4.1 1,-0.1 2,-0.4 0.608 110.6 72.4-107.7 -15.1 25.1 14.9 27.6 36 51 A Y E - M 0 93C 8 57,-0.2 -4,-2.5 62,-0.1 -3,-1.3 -0.882 47.2-173.8-118.8 137.8 21.6 15.6 26.2 37 52 A I E -LM 31 92C 0 55,-2.4 55,-3.6 -2,-0.4 2,-0.4 -0.957 14.9-146.9-122.7 137.1 20.1 17.3 23.2 38 53 A L E +LM 30 91C 0 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.3 -0.850 32.3 145.6-102.9 138.9 16.3 17.9 22.5 39 54 A T E - M 0 90C 0 51,-2.7 51,-1.5 -2,-0.4 2,-0.2 -0.925 48.7 -75.7-157.7 179.4 15.0 17.9 18.9 40 55 A A - 0 0 0 -12,-0.4 49,-0.3 -2,-0.3 4,-0.2 -0.540 31.5-137.7 -82.3 153.1 12.1 17.0 16.6 41 56 A A S > S+ 0 0 0 1,-0.2 3,-2.4 -2,-0.2 -1,-0.1 0.876 101.9 62.8 -79.6 -38.2 11.6 13.4 15.7 42 57 A H T 3 S+ 0 0 17 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.749 91.6 70.1 -59.1 -19.2 10.8 14.1 12.0 43 58 A b T > S+ 0 0 1 1,-0.3 3,-1.2 2,-0.2 2,-0.5 0.694 80.9 73.2 -69.3 -20.4 14.4 15.5 11.9 44 59 A L T < S+ 0 0 33 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.184 94.5 56.3 -86.4 40.9 15.7 11.9 12.3 45 60 A Y T 3 S+ 0 0 110 -2,-0.5 -1,-0.2 -3,-0.4 -2,-0.2 0.316 86.2 73.4-146.8 -6.8 14.6 11.5 8.7 46 61 A Q S < S+ 0 0 96 -3,-1.2 2,-0.2 1,-0.1 -2,-0.1 0.059 103.6 28.0-102.3 23.8 16.5 14.2 6.8 47 61AA A - 0 0 27 1,-0.1 -1,-0.1 -27,-0.1 3,-0.1 -0.854 60.9-140.1-178.6 142.1 19.9 12.5 7.1 48 62 A K S S+ 0 0 187 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.993 94.5 5.7 -69.9 -70.2 21.5 9.1 7.3 49 63 A R S S+ 0 0 138 2,-0.0 -28,-0.7 0, 0.0 -1,-0.3 -0.888 77.3 172.0-115.3 147.1 24.3 9.9 9.8 50 64 A F E -K 20 0C 25 -2,-0.3 21,-0.4 -30,-0.2 -30,-0.2 -0.996 21.3-147.3-154.3 153.3 24.7 13.2 11.6 51 65 A K E -K 19 0C 62 -32,-2.2 -32,-2.8 -2,-0.3 2,-0.5 -0.657 24.0-121.1-111.5 171.6 26.7 15.0 14.3 52 66 A V E -KN 18 69C 0 17,-2.7 17,-2.5 -34,-0.2 2,-0.4 -0.974 23.8-158.0-120.1 129.7 25.5 17.8 16.6 53 67 A R E -KN 17 68C 31 -36,-3.3 -36,-2.7 -2,-0.5 2,-0.3 -0.866 9.1-175.4-111.2 142.5 27.2 21.1 16.8 54 68 A V E +KN 16 67C 1 13,-2.0 13,-1.4 -2,-0.4 -38,-0.1 -0.931 59.6 31.1-133.6 155.8 27.2 23.8 19.5 55 69 A G S S+ 0 0 7 48,-0.6 2,-0.3 -40,-0.5 10,-0.2 0.522 81.2 134.5 78.6 6.8 28.6 27.3 20.0 56 70 A D + 0 0 17 -41,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.710 19.9 157.4 -94.5 139.6 28.2 28.2 16.4 57 71 A R S S+ 0 0 42 -2,-0.3 86,-1.9 4,-0.2 2,-0.3 0.474 73.6 41.1-130.1 -14.8 26.7 31.5 15.2 58 72 A N B > -P 142 0D 4 84,-0.2 2,-0.6 3,-0.2 3,-0.6 -0.792 66.2-154.5-141.7 94.5 28.2 31.8 11.7 59 73 A T T 3 S+ 0 0 58 82,-2.0 3,-0.1 -2,-0.3 83,-0.1 0.334 94.9 33.6 -54.0 10.1 28.4 28.6 9.5 60 74 A E T 3 S+ 0 0 136 -2,-0.6 2,-1.2 81,-0.3 -1,-0.2 0.583 100.8 71.5-134.8 -31.5 31.3 30.1 7.5 61 75 A Q S < S- 0 0 93 -3,-0.6 2,-0.9 1,-0.0 -4,-0.2 -0.720 82.0-135.8 -94.1 87.6 33.5 32.2 9.8 62 76 A E - 0 0 148 -2,-1.2 -3,-0.1 1,-0.2 -6,-0.0 -0.169 19.7-170.0 -44.9 87.7 35.2 29.6 12.0 63 77 A E - 0 0 73 -2,-0.9 -1,-0.2 -5,-0.3 -7,-0.0 0.617 27.7-136.5 -60.3 -11.5 34.7 31.5 15.3 64 78 A G S S+ 0 0 58 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.279 87.6 93.0 72.1 -14.8 37.0 28.9 16.8 65 79 A G + 0 0 33 -10,-0.2 -1,-0.1 2,-0.0 2,-0.1 0.236 64.0 101.4 -94.0 13.9 34.6 28.7 19.7 66 80 A E - 0 0 26 -13,-0.0 2,-0.3 38,-0.0 -11,-0.2 -0.322 49.6-165.8 -90.7 176.0 32.6 25.9 18.3 67 81 A A E -N 54 0C 29 -13,-1.4 -13,-2.0 -2,-0.1 2,-0.3 -0.874 10.2-144.2-165.4 128.5 32.6 22.1 19.1 68 82 A V E -N 53 0C 76 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.756 16.8-167.5 -99.4 145.2 31.2 19.1 17.4 69 83 A H E -N 52 0C 10 -17,-2.5 -17,-2.7 -2,-0.3 2,-0.3 -0.967 14.2-130.8-133.1 147.7 29.8 16.1 19.2 70 84 A E - 0 0 80 -2,-0.3 25,-2.5 -19,-0.2 2,-0.5 -0.680 23.8-116.8 -97.5 152.7 28.8 12.6 18.2 71 85 A V E +O 94 0C 39 -21,-0.4 23,-0.2 -2,-0.3 3,-0.1 -0.759 25.7 179.3 -91.3 126.6 25.5 10.8 19.0 72 86 A E E S+ 0 0 112 21,-2.5 2,-0.3 -2,-0.5 22,-0.2 0.848 74.4 5.5 -90.5 -43.5 25.7 7.7 21.1 73 87 A V E -O 93 0C 43 20,-1.6 20,-2.4 2,-0.0 2,-0.6 -0.999 59.8-149.9-144.6 141.7 22.0 7.0 21.2 74 88 A V E -O 92 0C 79 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.958 11.4-162.1-111.1 118.2 18.9 8.5 19.6 75 89 A I E -O 91 0C 13 16,-3.2 16,-2.6 -2,-0.6 2,-0.3 -0.823 14.0-177.4-105.0 94.2 15.8 8.3 21.6 76 90 A K E -O 90 0C 71 -2,-0.8 2,-0.3 14,-0.2 14,-0.2 -0.658 34.6-104.3 -89.8 145.4 12.8 8.9 19.3 77 91 A H > - 0 0 15 12,-1.4 3,-1.1 -2,-0.3 -1,-0.1 -0.537 24.3-144.2 -71.1 130.8 9.3 8.9 20.6 78 92 A N T 3 S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.928 96.7 54.0 -60.4 -50.4 7.5 5.7 19.8 79 93 A R T 3 S+ 0 0 163 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.402 80.8 126.8 -69.9 4.6 4.1 7.2 19.2 80 94 A F < - 0 0 5 -3,-1.1 2,-0.4 9,-0.1 7,-0.2 -0.456 39.1-172.5 -67.5 132.9 5.6 9.6 16.7 81 95 A T >> - 0 0 42 5,-1.6 4,-1.4 -2,-0.2 3,-0.9 -0.992 25.2-154.2-131.8 131.7 3.8 9.5 13.3 82 96 A K T 34 S+ 0 0 99 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.823 93.4 64.7 -70.4 -31.9 4.9 11.3 10.1 83 97 A E T 34 S+ 0 0 147 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.508 122.0 16.7 -71.3 -6.3 1.3 11.4 8.8 84 98 A T T <4 S- 0 0 73 -3,-0.9 81,-0.2 2,-0.1 -1,-0.2 0.371 91.6-130.3-142.1 -7.0 0.1 13.7 11.6 85 99 A Y >< + 0 0 86 -4,-1.4 3,-0.6 1,-0.2 2,-0.2 0.640 55.7 152.4 60.8 14.2 3.3 15.1 13.1 86 100 A D T 3 + 0 0 25 -5,-0.4 -5,-1.6 1,-0.2 -1,-0.2 -0.504 61.1 19.8 -76.8 145.6 2.0 14.1 16.5 87 101 A F T 3 S+ 0 0 16 -7,-0.2 2,-1.8 1,-0.2 -1,-0.2 0.937 78.3 174.2 60.5 47.3 4.6 13.3 19.1 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.1 -1,-0.2 -0.502 34.8 108.6 -86.9 69.6 7.2 15.2 17.1 89 103 A I + 0 0 0 -2,-1.8 -12,-1.4 -49,-0.3 2,-0.3 -0.932 36.8 171.6-141.4 162.5 9.9 15.0 19.7 90 104 A A E -MO 39 76C 0 -51,-1.5 -51,-2.7 -2,-0.3 2,-0.4 -0.947 18.8-141.5-169.9 148.6 13.3 13.2 20.3 91 105 A V E -MO 38 75C 0 -16,-2.6 -16,-3.2 -2,-0.3 2,-0.5 -0.970 10.6-152.9-123.2 135.7 16.2 13.2 22.7 92 106 A L E -MO 37 74C 0 -55,-3.6 -55,-2.4 -2,-0.4 2,-0.7 -0.901 2.9-155.0-110.6 123.9 19.9 12.7 21.9 93 107 A R E -MO 36 73C 58 -20,-2.4 -21,-2.5 -2,-0.5 -20,-1.6 -0.873 25.2-136.3 -94.8 119.1 22.4 11.3 24.3 94 108 A L E - 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