==== 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 1IQN . 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) . 13330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 60.5 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 . 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 . 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 . 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 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 . 6 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,-0.7 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 116.2 13.8 32.3 10.9 2 17 A V B -A 179 0A 11 177,-3.4 177,-1.1 142,-0.0 2,-0.2 -0.825 360.0 -23.9 -93.3 117.2 12.0 34.7 8.7 3 18 A G S S+ 0 0 28 -2,-0.7 175,-0.1 130,-0.3 142,-0.1 -0.517 91.3 107.9 82.2-153.0 12.5 38.2 10.1 4 19 A G S S- 0 0 15 -2,-0.2 142,-0.2 143,-0.1 2,-0.1 0.067 72.5 -65.8 67.8 175.0 13.4 38.7 13.7 5 20 A Q E -B 145 0B 137 140,-0.5 140,-2.6 1,-0.1 2,-0.2 -0.427 48.6 -95.6 -98.1 173.3 16.8 39.7 15.0 6 21 A E E -B 144 0B 71 138,-0.2 2,-0.8 -2,-0.1 138,-0.3 -0.552 38.9-108.4 -84.9 147.5 20.2 38.1 15.0 7 22 A a - 0 0 2 136,-2.5 136,-0.2 -2,-0.2 2,-0.1 -0.707 40.3-151.4 -79.1 113.8 21.5 36.0 18.0 8 23 A K > - 0 0 107 -2,-0.8 3,-3.1 1,-0.2 4,-0.4 -0.473 40.8 -58.9 -83.8 157.6 24.1 38.3 19.5 9 24 A D T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.1 93,-0.0 0.010 124.8 0.6 -37.3 121.6 27.1 36.9 21.4 10 25 A G T 3 S+ 0 0 0 -3,-0.1 276,-0.9 2,-0.1 -1,-0.3 0.299 102.6 107.1 80.0 -9.2 25.9 34.8 24.4 11 26 A E S < S+ 0 0 49 -3,-3.1 -2,-0.1 1,-0.2 3,-0.1 0.850 86.3 28.6 -70.7 -39.1 22.1 35.4 23.7 12 27 A a S > S+ 0 0 10 -4,-0.4 3,-1.4 1,-0.1 -1,-0.2 -0.466 70.9 152.4-123.3 60.2 21.2 31.9 22.4 13 28 A P T 3 + 0 0 0 0, 0.0 92,-2.4 0, 0.0 42,-0.2 0.588 68.3 59.3 -64.9 -15.0 23.7 29.7 24.3 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.5 -3,-0.1 93,-0.2 0.471 75.4 120.1 -95.8 -3.0 21.4 26.7 24.3 15 30 A Q E < -J 30 0C 8 -3,-1.4 40,-0.6 15,-0.2 2,-0.4 -0.371 41.4-171.4 -65.2 138.1 21.0 26.4 20.5 16 31 A A E -JK 29 54C 1 13,-1.9 13,-1.4 38,-0.1 2,-0.4 -0.975 8.7-151.5-131.9 144.5 22.2 23.1 19.0 17 32 A L E -JK 28 53C 3 36,-3.0 36,-3.8 -2,-0.4 2,-0.5 -0.971 6.0-146.5-124.2 126.7 22.7 22.2 15.3 18 33 A L E -JK 27 52C 0 9,-2.4 8,-2.3 -2,-0.4 9,-1.1 -0.771 22.9-166.8 -89.2 130.9 22.4 18.8 13.7 19 34 A I E -JK 25 51C 1 32,-3.4 32,-2.3 -2,-0.5 6,-0.2 -0.939 11.8-140.5-123.9 142.2 24.8 18.3 10.8 20 35 A N > - 0 0 15 4,-1.8 3,-2.1 -2,-0.4 30,-0.2 -0.159 47.8 -81.6 -84.0-174.6 25.0 15.7 8.1 21 36 A E T 3 S+ 0 0 91 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.836 132.4 60.2 -61.1 -29.9 28.2 14.2 6.7 22 37 A E T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.330 118.0-116.1 -78.8 10.0 28.5 17.2 4.4 23 38 A N < + 0 0 105 -3,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.759 65.6 153.1 60.9 24.9 28.6 19.3 7.7 24 39 A E - 0 0 99 1,-0.0 -4,-1.8 2,-0.0 2,-0.5 -0.745 48.5-126.5 -88.3 126.8 25.4 20.8 6.5 25 40 A G E +J 19 0C 18 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.630 41.3 160.2 -73.2 121.2 23.1 22.1 9.2 26 41 A F E + 0 0 18 -8,-2.3 2,-0.3 -2,-0.5 159,-0.2 0.569 58.2 12.2-117.6 -16.8 19.7 20.5 8.6 27 42 A b E -J 18 0C 4 -9,-1.1 -9,-2.4 157,-0.1 -1,-0.3 -0.962 66.3-119.8-154.1 169.9 17.9 20.8 11.9 28 43 A G E -J 17 0C 2 157,-4.0 12,-0.4 -2,-0.3 2,-0.3 -0.493 20.0-175.2-109.4 178.8 18.0 22.4 15.4 29 44 A G E -J 16 0C 0 -13,-1.4 -13,-1.9 -2,-0.2 2,-0.4 -0.972 21.9-124.7-163.1 167.5 18.2 21.2 19.0 30 45 A T E -JL 15 38C 0 8,-1.9 8,-2.5 -2,-0.3 2,-0.5 -0.993 25.9-125.9-125.2 130.6 18.2 22.5 22.5 31 46 A I E + L 0 37C 0 -17,-2.5 76,-2.6 -2,-0.4 6,-0.2 -0.645 31.1 172.2 -75.3 124.6 20.9 21.8 25.0 32 47 A L - 0 0 13 4,-3.0 2,-0.3 -2,-0.5 5,-0.2 0.654 64.8 -26.4-103.9 -24.4 19.4 20.2 28.1 33 48 A S S S- 0 0 32 3,-1.3 -1,-0.4 72,-0.1 65,-0.1 -0.952 80.6 -72.3-171.2-178.5 22.6 19.3 29.8 34 49 A E S S+ 0 0 103 -2,-0.3 64,-3.0 1,-0.2 3,-0.0 0.757 133.7 31.2 -63.0 -20.3 26.3 18.4 29.2 35 50 A F S S+ 0 0 45 62,-0.2 59,-3.6 1,-0.1 2,-0.4 0.651 109.6 69.0-111.8 -17.7 25.0 15.1 27.8 36 51 A Y E - M 0 93C 8 57,-0.2 -4,-3.0 62,-0.1 -3,-1.3 -0.880 45.5-172.1-121.7 141.2 21.6 15.7 26.3 37 52 A I E -LM 31 92C 0 55,-2.2 55,-3.0 -2,-0.4 2,-0.5 -0.941 16.4-144.9-120.6 140.9 20.0 17.4 23.3 38 53 A L E +LM 30 91C 0 -8,-2.5 -8,-1.9 -2,-0.4 2,-0.2 -0.911 33.7 150.6-105.5 129.2 16.3 17.9 22.7 39 54 A T E - M 0 90C 0 51,-2.9 51,-2.5 -2,-0.5 2,-0.4 -0.810 46.3 -83.0-144.6-175.9 15.1 17.7 19.1 40 55 A A > - 0 0 0 -12,-0.4 3,-1.4 49,-0.3 4,-0.3 -0.781 29.0-134.3 -97.5 141.2 12.1 16.8 16.9 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-2.5 1,-0.3 -1,-0.1 0.929 104.2 59.5 -58.2 -48.8 11.5 13.2 15.9 42 57 A H G > S+ 0 0 25 1,-0.3 3,-0.8 2,-0.1 4,-0.3 0.598 91.4 72.3 -59.1 -8.9 10.8 14.0 12.2 43 58 A b G X S+ 0 0 0 -3,-1.4 3,-0.6 1,-0.2 -1,-0.3 0.689 83.1 68.8 -78.3 -17.9 14.4 15.5 12.1 44 59 A L G < S+ 0 0 35 -3,-2.5 -1,-0.2 -4,-0.3 -2,-0.1 0.098 97.4 54.0 -86.3 22.5 15.8 12.0 12.2 45 60 A Y G < S+ 0 0 110 -3,-0.8 -1,-0.2 0, 0.0 -2,-0.2 0.470 89.7 72.3-126.0 -18.6 14.4 11.5 8.8 46 61 A Q S < S+ 0 0 130 -3,-0.6 2,-0.3 -4,-0.3 -2,-0.1 0.186 109.1 20.8 -86.4 16.4 16.0 14.5 7.0 47 61AA A - 0 0 33 1,-0.1 3,-0.1 -27,-0.0 -27,-0.0 -0.972 60.8-139.5-168.4 172.9 19.4 12.8 7.1 48 62 A K S S+ 0 0 179 1,-0.5 2,-0.4 -2,-0.3 -1,-0.1 0.770 88.4 12.0-106.7 -74.9 21.3 9.5 7.5 49 63 A R S S+ 0 0 140 2,-0.0 -28,-0.5 0, 0.0 -1,-0.5 -0.919 80.2 166.5-108.9 132.5 24.3 9.9 9.7 50 64 A F - 0 0 29 -2,-0.4 21,-0.4 -30,-0.2 2,-0.3 -0.994 25.3-153.2-149.7 156.9 24.6 13.1 11.7 51 65 A K E -K 19 0C 64 -32,-2.3 -32,-3.4 -2,-0.3 2,-0.5 -0.909 24.3-119.3-126.8 153.6 26.4 14.9 14.5 52 66 A V E -KN 18 69C 0 17,-1.8 17,-2.5 -2,-0.3 2,-0.4 -0.824 25.0-160.7 -99.1 131.7 25.3 17.7 16.8 53 67 A R E -KN 17 68C 39 -36,-3.8 -36,-3.0 -2,-0.5 2,-0.3 -0.897 9.2-177.9-112.7 138.8 27.2 21.0 16.8 54 68 A V E +KN 16 67C 1 13,-2.3 13,-1.3 -2,-0.4 -38,-0.1 -0.868 57.4 41.1-130.8 164.8 27.1 23.7 19.6 55 69 A G S S+ 0 0 4 -40,-0.6 2,-0.4 48,-0.5 10,-0.2 0.664 79.7 135.3 74.7 16.6 28.6 27.1 20.2 56 70 A D + 0 0 15 -41,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.823 19.9 154.9-103.3 137.1 28.0 28.2 16.6 57 71 A R S S+ 0 0 59 -2,-0.4 86,-1.7 4,-0.2 2,-0.2 0.391 75.8 37.7-131.6 -6.7 26.6 31.5 15.5 58 72 A N B > -P 142 0D 3 84,-0.2 2,-2.6 3,-0.2 3,-1.8 -0.764 68.6-151.3-151.6 97.4 28.0 31.9 12.0 59 73 A T T 3 S+ 0 0 44 82,-2.0 3,-0.1 1,-0.2 83,-0.1 -0.335 91.4 41.4 -72.4 65.2 28.2 28.7 9.8 60 74 A E T 3 S+ 0 0 126 -2,-2.6 2,-0.4 1,-0.1 -1,-0.2 0.274 100.9 68.8 176.9 -0.9 31.2 29.9 7.7 61 75 A Q S < S- 0 0 93 -3,-1.8 2,-1.1 0, 0.0 -4,-0.2 -0.899 77.6-127.8-140.6 107.8 33.6 31.5 10.1 62 76 A E - 0 0 146 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.330 25.5-177.3 -57.2 92.3 35.5 29.5 12.8 63 77 A E - 0 0 70 -2,-1.1 2,-0.4 -5,-0.2 -1,-0.2 0.545 36.4-129.1 -69.6 -8.4 34.6 31.6 15.9 64 78 A G S S+ 0 0 53 1,-0.1 -1,-0.1 -3,-0.0 -2,-0.1 -0.080 94.0 82.0 85.8 -36.7 36.9 29.3 17.9 65 79 A G + 0 0 30 -2,-0.4 -1,-0.1 -10,-0.2 36,-0.1 0.358 68.1 108.6 -84.5 6.7 34.2 28.5 20.5 66 80 A E - 0 0 25 -13,-0.0 2,-0.3 38,-0.0 -11,-0.2 -0.190 44.9-173.9 -76.0 173.8 32.5 25.9 18.4 67 81 A A E -N 54 0C 24 -13,-1.3 -13,-2.3 2,-0.0 2,-0.4 -0.896 15.1-140.2-170.2 138.5 32.5 22.2 19.2 68 82 A V E -N 53 0C 79 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.860 16.6-167.6-108.6 140.6 31.2 19.0 17.5 69 83 A H E -N 52 0C 10 -17,-2.5 -17,-1.8 -2,-0.4 2,-0.2 -0.978 13.0-138.1-130.4 140.1 29.7 16.0 19.2 70 84 A E - 0 0 96 -2,-0.4 25,-2.4 -19,-0.2 2,-0.5 -0.575 26.5-113.5 -91.0 158.4 28.8 12.5 18.1 71 85 A V E +O 94 0C 36 -21,-0.4 23,-0.2 23,-0.2 3,-0.2 -0.810 27.5 179.4 -96.3 126.6 25.6 10.8 19.0 72 86 A E E S+ 0 0 112 21,-2.5 2,-0.4 -2,-0.5 -1,-0.2 0.916 75.3 0.3 -85.7 -53.4 25.8 7.7 21.2 73 87 A V E -O 93 0C 46 20,-1.4 20,-2.9 2,-0.0 2,-0.5 -0.989 60.2-153.3-143.3 131.4 22.1 7.0 21.4 74 88 A V E -O 92 0C 66 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.902 10.2-156.4-104.6 125.2 19.1 8.6 19.8 75 89 A I E -O 91 0C 11 16,-3.6 16,-2.4 -2,-0.5 2,-0.2 -0.839 14.0-174.7-104.2 97.4 15.8 8.2 21.7 76 90 A K E -O 90 0C 69 -2,-0.8 2,-0.5 14,-0.2 14,-0.2 -0.630 31.6-111.4 -89.2 149.3 12.8 8.7 19.3 77 91 A H > - 0 0 14 12,-1.2 3,-1.7 10,-0.3 12,-0.1 -0.710 20.8-146.9 -81.5 123.2 9.3 8.7 20.6 78 92 A N T 3 S+ 0 0 132 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.930 94.6 62.2 -53.7 -51.6 7.5 5.5 19.3 79 93 A R T 3 S+ 0 0 161 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.518 79.9 116.7 -55.2 -7.1 4.1 7.2 19.0 80 94 A F < + 0 0 5 -3,-1.7 2,-0.3 7,-0.2 7,-0.2 -0.487 38.6 172.2 -71.6 133.2 5.6 9.5 16.4 81 95 A T B >>> -Q 86 0E 45 5,-1.0 4,-2.4 -2,-0.2 3,-1.0 -0.999 34.0-141.2-141.6 138.1 4.1 9.3 12.9 82 96 A K T 345S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.660 96.9 68.1 -72.4 -17.4 4.6 11.5 9.9 83 97 A E T 345S+ 0 0 153 1,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.606 122.2 15.2 -78.8 -10.5 1.0 11.4 8.8 84 98 A T T <45S- 0 0 71 -3,-1.0 -2,-0.2 2,-0.1 81,-0.2 0.483 90.7-135.6-132.2 -22.4 -0.0 13.4 11.8 85 99 A Y T ><5 + 0 0 77 -4,-2.4 3,-0.6 1,-0.2 2,-0.3 0.765 51.1 155.3 65.8 25.7 3.3 14.8 13.0 86 100 A D B 3 < +Q 81 0E 21 -5,-0.7 -5,-1.0 1,-0.2 -1,-0.2 -0.675 57.0 20.8 -89.0 138.8 2.2 13.9 16.5 87 101 A F T 3 S+ 0 0 20 -2,-0.3 2,-2.3 1,-0.2 -10,-0.3 0.891 73.2 176.2 72.4 41.5 4.8 13.2 19.2 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.2 -1,-0.2 -0.519 37.4 112.9 -78.4 75.4 7.4 15.2 17.2 89 103 A I + 0 0 0 -2,-2.3 -12,-1.2 -49,-0.2 2,-0.3 -0.992 34.7 167.1-150.9 140.6 10.0 14.8 20.0 90 104 A A E -MO 39 76C 0 -51,-2.5 -51,-2.9 -2,-0.3 2,-0.4 -0.993 20.8-142.2-151.9 149.9 13.4 13.0 20.4 91 105 A V E -MO 38 75C 0 -16,-2.4 -16,-3.6 -2,-0.3 2,-0.5 -0.926 11.1-152.1-117.3 141.9 16.3 13.0 22.8 92 106 A L E -MO 37 74C 0 -55,-3.0 -55,-2.2 -2,-0.4 2,-0.7 -0.950 3.2-152.8-117.6 126.9 19.9 12.7 22.0 93 107 A R E -MO 36 73C 61 -20,-2.9 -21,-2.5 -2,-0.5 -20,-1.4 -0.878 23.0-136.7 -96.6 116.1 22.5 11.2 24.3 94 108 A L E - 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