==== 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 1IQI . 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) . 13576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 58.7 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 . 80 28.0 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 . 3 1.0 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 . 24 8.4 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 . 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 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 . 5 3 3 4 3 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 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, 0.0 179,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 105.1 13.8 31.8 10.2 2 17 A V B -A 179 0A 5 177,-1.3 177,-0.6 144,-0.0 132,-0.1 -0.546 360.0 -23.5 -70.4 137.3 11.9 34.4 8.2 3 18 A G S S+ 0 0 28 130,-0.4 175,-0.1 -2,-0.2 142,-0.1 -0.346 90.4 117.4 64.5-134.4 12.5 37.8 9.7 4 19 A G - 0 0 23 143,-0.1 142,-0.3 -2,-0.1 2,-0.1 -0.100 64.9 -80.4 65.8-167.9 13.6 37.8 13.3 5 20 A Q E -B 145 0B 140 140,-3.3 140,-0.5 3,-0.0 2,-0.4 -0.380 43.2 -90.4-115.9-164.7 17.0 39.0 14.6 6 21 A E E -B 144 0B 67 138,-0.2 2,-0.5 -2,-0.1 138,-0.3 -0.944 38.8-114.2-115.7 134.2 20.5 37.7 14.8 7 22 A a - 0 0 1 136,-2.1 136,-0.2 -2,-0.4 3,-0.1 -0.573 37.4-148.4 -70.1 118.6 21.6 35.7 17.8 8 23 A K > - 0 0 103 -2,-0.5 3,-3.0 1,-0.2 4,-0.5 -0.433 42.3 -50.4 -87.4 163.4 24.4 37.8 19.5 9 24 A D T 3 S- 0 0 95 1,-0.3 -1,-0.2 2,-0.1 276,-0.0 0.046 125.9 -12.9 -35.0 116.2 27.4 36.5 21.4 10 25 A G T 3 S+ 0 0 2 -3,-0.1 276,-0.4 277,-0.1 -1,-0.3 0.745 104.3 118.5 58.0 26.9 26.1 34.0 24.0 11 26 A E S < S+ 0 0 60 -3,-3.0 -2,-0.1 1,-0.2 3,-0.1 0.812 81.8 28.5 -90.4 -35.2 22.6 35.2 23.4 12 27 A a S > S+ 0 0 6 -4,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.390 74.4 156.7-123.2 54.6 21.2 31.8 22.2 13 28 A P T 3 + 0 0 2 0, 0.0 92,-2.0 0, 0.0 -1,-0.1 0.514 66.0 59.8 -57.5 -11.7 23.5 29.4 24.1 14 29 A W T 3 S+ 0 0 9 90,-0.2 17,-2.3 92,-0.1 93,-0.2 0.490 77.1 116.5 -98.8 -4.9 21.2 26.4 24.0 15 30 A Q E < -J 30 0C 11 -3,-1.8 40,-0.4 15,-0.2 2,-0.3 -0.141 41.3-177.3 -59.1 157.0 20.9 26.2 20.2 16 31 A A E -J 29 0C 2 13,-0.7 13,-1.1 38,-0.1 2,-0.4 -0.980 14.6-146.1-155.9 155.3 22.2 23.1 18.5 17 32 A L E -JK 28 53C 6 36,-2.2 36,-3.3 -2,-0.3 2,-0.7 -0.988 6.8-146.8-134.8 128.1 22.6 21.9 15.0 18 33 A L E -JK 27 52C 0 9,-1.5 8,-2.6 -2,-0.4 9,-1.3 -0.838 24.9-165.8 -92.7 117.6 22.3 18.4 13.6 19 34 A I E -JK 25 51C 3 32,-2.3 32,-2.5 -2,-0.7 6,-0.3 -0.850 11.6-132.3-107.6 140.4 24.7 18.1 10.7 20 35 A N > - 0 0 14 4,-3.4 3,-1.3 -2,-0.4 30,-0.1 -0.099 37.6 -90.7 -77.1-175.6 24.7 15.4 8.1 21 36 A E T 3 S+ 0 0 107 28,-0.3 29,-0.1 1,-0.3 -1,-0.1 0.801 128.5 61.3 -68.9 -30.8 27.8 13.4 6.9 22 37 A E T 3 S- 0 0 106 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.331 124.9-110.3 -76.9 10.7 28.4 15.9 4.2 23 38 A N S < S+ 0 0 94 -3,-1.3 2,-0.4 1,-0.2 -2,-0.2 0.755 71.8 144.3 67.3 29.1 28.8 18.2 7.2 24 39 A E - 0 0 108 1,-0.0 -4,-3.4 0, 0.0 2,-0.7 -0.830 52.9-124.6-102.6 134.4 25.5 20.1 6.4 25 40 A G E +J 19 0C 16 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.649 39.0 162.0 -77.7 113.5 23.2 21.4 9.1 26 41 A F E + 0 0 29 -8,-2.6 159,-0.2 -2,-0.7 2,-0.2 0.835 58.5 11.8 -99.8 -41.5 19.8 19.9 8.4 27 42 A b E -J 18 0C 2 -9,-1.3 -9,-1.5 157,-0.1 2,-0.2 -0.610 66.9-121.3-126.0-172.0 17.9 20.3 11.7 28 43 A G E -J 17 0C 1 157,-2.9 12,-0.4 -11,-0.2 2,-0.3 -0.605 20.5-178.5-123.0-176.8 18.1 22.0 15.1 29 44 A G E -J 16 0C 0 -13,-1.1 -13,-0.7 -2,-0.2 2,-0.4 -0.960 22.3-119.0-168.6 179.6 18.1 21.0 18.8 30 45 A T E -JL 15 38C 0 8,-1.4 8,-2.5 -2,-0.3 2,-0.5 -0.991 24.0-125.6-141.4 128.3 18.2 22.3 22.3 31 46 A I E + L 0 37C 0 -17,-2.3 76,-3.0 -2,-0.4 6,-0.2 -0.610 30.7 169.0 -75.9 118.6 20.8 21.6 25.0 32 47 A L - 0 0 10 4,-1.7 2,-0.2 -2,-0.5 -1,-0.2 0.735 68.9 -29.3 -97.3 -31.3 19.3 20.2 28.1 33 48 A S S S- 0 0 37 3,-1.3 -1,-0.2 72,-0.1 65,-0.1 -0.786 81.5 -69.1-160.4-159.1 22.6 19.2 29.8 34 49 A E S S+ 0 0 90 -2,-0.2 64,-4.2 1,-0.1 3,-0.1 0.710 128.5 27.4 -84.7 -20.6 26.1 18.1 28.9 35 50 A F S S+ 0 0 53 62,-0.2 59,-4.3 1,-0.1 2,-0.4 0.706 110.6 68.2-111.9 -27.6 25.0 14.7 27.6 36 51 A Y E - M 0 93C 14 57,-0.2 -4,-1.7 62,-0.1 -3,-1.3 -0.811 52.1-169.1-107.8 140.2 21.5 15.1 26.3 37 52 A I E -LM 31 92C 0 55,-2.9 55,-2.3 -2,-0.4 2,-0.5 -0.916 15.1-140.6-120.3 147.1 20.0 17.0 23.3 38 53 A L E +LM 30 91C 0 -8,-2.5 -8,-1.4 -2,-0.3 2,-0.2 -0.937 34.2 153.3-111.1 121.8 16.3 17.7 22.6 39 54 A T E - M 0 90C 0 51,-2.7 51,-2.6 -2,-0.5 2,-0.3 -0.802 48.2 -78.1-137.6 179.3 15.1 17.5 19.0 40 55 A A > - 0 0 0 -12,-0.4 3,-1.7 49,-0.2 4,-0.3 -0.641 35.3-132.6 -80.5 137.5 12.1 16.8 16.8 41 56 A A T 3 S+ 0 0 0 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.590 103.9 60.8 -66.4 -8.3 11.3 13.2 16.4 42 57 A H T 3 S+ 0 0 18 1,-0.2 -1,-0.3 43,-0.1 3,-0.2 0.322 84.9 73.9-101.7 8.0 11.0 13.7 12.7 43 58 A b S X S+ 0 0 0 -3,-1.7 3,-0.6 1,-0.2 2,-0.4 0.526 74.8 81.8 -93.2 -9.2 14.5 14.9 12.1 44 59 A L T 3 S+ 0 0 38 -3,-0.3 -1,-0.2 -4,-0.3 -3,-0.1 -0.157 91.3 53.3 -86.9 39.2 15.9 11.3 12.5 45 60 A Y T 3 S+ 0 0 103 -2,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.433 83.6 77.9-141.9 -27.2 14.9 10.8 8.9 46 61 A Q S < S+ 0 0 94 -3,-0.6 2,-0.3 -4,-0.2 -2,-0.1 0.147 105.6 23.8 -78.3 21.2 16.6 13.6 7.0 47 61AA A - 0 0 34 1,-0.1 3,-0.1 -27,-0.1 -27,-0.0 -0.981 60.9-137.2-171.2 170.0 19.9 11.7 7.2 48 62 A K S S+ 0 0 192 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.787 96.7 9.1-104.4 -48.7 21.5 8.3 7.6 49 63 A R S S+ 0 0 123 2,-0.0 -1,-0.4 0, 0.0 -28,-0.3 -0.981 79.4 173.1-137.6 120.2 24.3 9.2 10.0 50 64 A F - 0 0 27 -2,-0.4 21,-0.5 -30,-0.1 2,-0.2 -0.865 18.1-154.5-130.3 164.8 24.5 12.6 11.7 51 65 A K E -KN 19 70C 51 -32,-2.5 -32,-2.3 -2,-0.3 2,-0.5 -0.778 20.8-120.1-127.2 169.7 26.3 14.6 14.4 52 66 A V E -KN 18 69C 0 17,-2.0 17,-1.7 -2,-0.2 2,-0.3 -0.949 20.1-159.7-123.2 117.6 25.4 17.5 16.6 53 67 A R E -KN 17 68C 33 -36,-3.3 -36,-2.2 -2,-0.5 2,-0.3 -0.634 11.1-175.7 -90.0 148.6 27.3 20.8 16.5 54 68 A V E + N 0 67C 2 13,-1.8 13,-0.6 -2,-0.3 -38,-0.1 -0.996 58.4 32.2-144.8 145.6 27.2 23.3 19.4 55 69 A G S S+ 0 0 10 -40,-0.4 2,-0.4 -2,-0.3 9,-0.2 0.549 79.5 130.2 88.6 7.8 28.7 26.8 19.9 56 70 A D + 0 0 18 1,-0.1 -1,-0.3 11,-0.1 3,-0.1 -0.815 22.3 164.0 -98.8 131.2 28.4 27.9 16.3 57 71 A R S S+ 0 0 47 -2,-0.4 86,-2.2 1,-0.3 2,-0.3 0.397 74.5 40.0-120.6 -3.8 26.7 31.2 15.4 58 72 A N B -P 142 0D 11 84,-0.3 2,-1.6 3,-0.1 3,-0.5 -0.844 69.0-150.6-150.6 107.6 28.0 31.5 11.8 59 73 A T S S+ 0 0 43 82,-4.1 83,-0.1 -2,-0.3 3,-0.1 -0.577 89.3 30.8 -83.6 83.9 28.3 28.5 9.4 60 74 A E S S+ 0 0 124 -2,-1.6 2,-0.8 81,-0.0 -1,-0.2 0.011 103.4 69.2 163.2 -37.2 31.2 29.5 7.2 61 75 A Q S S- 0 0 105 -3,-0.5 2,-0.8 0, 0.0 -3,-0.1 -0.822 82.3-132.2-110.7 92.2 33.6 31.6 9.3 62 76 A E - 0 0 137 -2,-0.8 -3,-0.1 1,-0.1 -6,-0.0 -0.168 28.4-177.2 -45.2 88.4 35.2 29.3 11.9 63 77 A E - 0 0 74 -2,-0.8 -1,-0.1 -5,-0.3 -7,-0.1 0.973 36.5-113.1 -54.0 -83.8 34.7 31.5 15.0 64 78 A G S S+ 0 0 55 -9,-0.2 -1,-0.1 3,-0.0 -8,-0.1 0.102 95.9 74.0 174.2 -41.8 36.4 29.4 17.7 65 79 A G + 0 0 27 -10,-0.2 36,-0.1 2,-0.0 -9,-0.0 0.147 67.2 124.1 -83.3 21.4 34.0 28.0 20.3 66 80 A E + 0 0 21 -13,-0.0 2,-0.2 38,-0.0 -11,-0.2 -0.229 34.5 179.4 -73.9 171.1 32.5 25.4 18.0 67 81 A A E -N 54 0C 24 -13,-0.6 -13,-1.8 2,-0.0 2,-0.4 -0.778 18.0-146.4-175.1 126.3 32.4 21.7 18.9 68 82 A V E -N 53 0C 75 -2,-0.2 2,-0.3 -15,-0.2 -15,-0.2 -0.817 17.4-169.6-102.0 140.4 31.1 18.5 17.3 69 83 A H E -N 52 0C 13 -17,-1.7 -17,-2.0 -2,-0.4 2,-0.4 -0.930 17.1-125.7-127.8 151.9 29.7 15.7 19.3 70 84 A E E -N 51 0C 95 -2,-0.3 25,-2.4 -19,-0.2 2,-0.4 -0.796 23.7-116.4-102.9 142.2 28.7 12.1 18.4 71 85 A V E -O 94 0C 38 -21,-0.5 23,-0.2 -2,-0.4 3,-0.1 -0.600 26.0-177.8 -75.4 122.8 25.3 10.6 19.0 72 86 A E E S- 0 0 105 21,-3.7 2,-0.3 -2,-0.4 22,-0.2 0.864 70.7 -7.3 -87.0 -42.1 25.6 7.6 21.4 73 87 A V E -O 93 0C 58 20,-1.3 20,-2.4 2,-0.0 2,-0.4 -0.987 61.3-137.1-154.6 148.7 21.9 6.7 21.3 74 88 A V E -O 92 0C 81 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.894 7.3-161.6-110.1 137.2 18.7 8.1 19.9 75 89 A I E +O 91 0C 14 16,-1.7 16,-1.8 -2,-0.4 2,-0.2 -0.794 16.4 178.9-118.7 84.3 15.5 8.1 21.8 76 90 A K E -O 90 0C 84 -2,-0.6 2,-0.2 14,-0.2 14,-0.2 -0.577 37.7 -99.2 -82.2 150.5 12.7 8.6 19.3 77 91 A H > - 0 0 14 12,-0.7 3,-0.7 10,-0.3 -1,-0.1 -0.527 21.5-135.3 -76.5 136.9 9.1 8.6 20.7 78 92 A N T 3 S+ 0 0 134 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.963 101.4 44.9 -48.5 -69.0 7.1 5.4 20.5 79 93 A R T 3 S+ 0 0 174 2,-0.0 -1,-0.2 -3,-0.0 7,-0.2 0.547 84.6 123.8 -58.3 -14.2 3.8 7.0 19.3 80 94 A F < + 0 0 10 -3,-0.7 2,-0.3 7,-0.2 7,-0.2 -0.058 34.0 174.6 -50.1 153.0 5.4 9.3 16.7 81 95 A T B >>> -Q 86 0E 40 5,-0.7 4,-1.7 1,-0.1 3,-0.7 -0.895 35.8-141.7-165.4 132.6 4.2 9.0 13.1 82 96 A K T 345S+ 0 0 112 -2,-0.3 -1,-0.1 1,-0.2 -40,-0.0 0.871 96.7 70.0 -61.6 -39.9 4.8 10.9 9.9 83 97 A E T 345S+ 0 0 133 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.782 123.0 8.4 -50.9 -35.4 1.2 10.6 8.8 84 98 A T T <45S- 0 0 84 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.391 90.5-129.3-129.2 0.3 0.0 13.0 11.4 85 99 A Y T <5 + 0 0 86 -4,-1.7 3,-0.5 1,-0.2 2,-0.4 0.843 52.0 156.8 52.0 37.4 3.2 14.4 13.0 86 100 A D B < +Q 81 0E 23 -5,-0.7 -5,-0.7 1,-0.2 -1,-0.2 -0.804 59.0 20.8 -96.3 136.6 1.9 13.6 16.4 87 101 A F S S+ 0 0 24 -2,-0.4 2,-1.4 1,-0.2 -10,-0.3 0.899 73.6 179.4 75.5 44.2 4.5 13.1 19.2 88 102 A D + 0 0 1 -3,-0.5 2,-0.2 79,-0.2 -1,-0.2 -0.663 38.7 105.7 -79.4 94.3 7.3 15.0 17.3 89 103 A I + 0 0 0 -2,-1.4 -12,-0.7 -49,-0.2 2,-0.3 -0.771 33.2 160.8-175.7 128.4 10.0 14.7 20.0 90 104 A A E -MO 39 76C 0 -51,-2.6 -51,-2.7 -2,-0.2 2,-0.4 -0.967 23.9-137.6-147.4 159.4 13.2 12.7 20.6 91 105 A V E -MO 38 75C 0 -16,-1.8 -16,-1.7 -2,-0.3 2,-0.4 -0.986 10.0-151.0-128.4 132.8 16.3 13.0 22.7 92 106 A L E -MO 37 74C 0 -55,-2.3 -55,-2.9 -2,-0.4 2,-0.6 -0.839 4.8-151.4-102.8 132.0 19.9 12.4 21.8 93 107 A R E -MO 36 73C 51 -20,-2.4 -21,-3.7 -2,-0.4 -20,-1.3 -0.908 19.0-144.1-102.1 120.6 22.5 11.1 24.2 94 108 A L E - 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