==== 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 1IQF . 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) . 13208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 61.5 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 . 78 27.3 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 . 2 0.7 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 . 31 10.8 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 . 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 . 6 4 1 3 4 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 84.7 13.9 32.1 10.6 2 17 A V B -A 179 0A 6 177,-1.8 177,-1.4 130,-0.1 132,-0.1 -0.402 360.0 -21.8 -60.5 122.8 12.1 34.7 8.4 3 18 A G S S+ 0 0 33 130,-0.3 175,-0.1 -2,-0.2 142,-0.0 -0.458 92.6 116.1 72.5-148.0 12.8 38.1 9.9 4 19 A G - 0 0 17 -2,-0.1 142,-0.3 143,-0.1 2,-0.2 -0.201 66.0 -70.9 78.6-174.4 13.7 38.1 13.6 5 20 A Q E -B 145 0B 130 140,-4.0 140,-3.2 3,-0.0 2,-0.5 -0.677 45.0 -94.3-116.2 172.0 17.0 39.2 15.0 6 21 A E E -B 144 0B 76 138,-0.3 2,-1.3 -2,-0.2 138,-0.3 -0.755 39.9-115.7 -89.3 123.9 20.6 37.9 15.0 7 22 A a - 0 0 0 136,-3.2 136,-0.2 -2,-0.5 3,-0.2 -0.397 41.5-146.1 -58.6 93.9 21.4 35.8 18.1 8 23 A K > - 0 0 96 -2,-1.3 3,-2.1 1,-0.2 4,-0.5 -0.119 39.2 -56.7 -61.6 164.3 24.1 38.1 19.5 9 24 A D T 3 S- 0 0 80 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.138 124.1 -3.0 -47.1 122.6 27.1 36.7 21.3 10 25 A G T 3 S+ 0 0 1 -3,-0.2 -1,-0.3 277,-0.1 -2,-0.1 0.742 103.6 110.2 64.9 26.6 26.1 34.6 24.3 11 26 A E S < S+ 0 0 57 -3,-2.1 -2,-0.1 -4,-0.1 -3,-0.1 0.717 82.9 30.0-101.2 -27.8 22.5 35.3 23.7 12 27 A a S > S+ 0 0 11 -4,-0.5 3,-2.8 -5,-0.2 -1,-0.1 -0.227 70.0 156.4-128.3 46.0 21.3 31.8 22.5 13 28 A P T 3 S+ 0 0 2 0, 0.0 92,-2.3 0, 0.0 88,-0.1 0.476 70.9 57.5 -48.8 -13.0 23.7 29.5 24.4 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-1.2 92,-0.1 2,-0.8 0.532 73.2 122.3 -99.0 -8.5 21.4 26.5 24.2 15 30 A Q E < -J 30 0C 10 -3,-2.8 40,-0.5 15,-0.2 2,-0.2 -0.373 41.7-175.0 -59.9 99.5 21.1 26.6 20.4 16 31 A A E -J 29 0C 1 13,-1.7 13,-1.5 -2,-0.8 2,-0.4 -0.648 10.1-149.2 -95.7 155.7 22.3 23.2 19.2 17 32 A L E -JK 28 53C 7 36,-3.0 36,-3.2 11,-0.2 2,-0.6 -0.959 5.2-146.4-133.6 119.3 22.7 22.2 15.5 18 33 A L E -JK 27 52C 1 9,-1.6 9,-1.0 -2,-0.4 8,-1.0 -0.704 25.6-175.4 -83.1 121.3 22.2 18.9 13.9 19 34 A I E -JK 25 51C 4 32,-3.1 32,-2.5 -2,-0.6 6,-0.2 -0.806 11.1-140.3-115.7 158.1 24.6 18.4 11.0 20 35 A N E > - K 0 50C 8 4,-2.0 3,-3.5 -2,-0.3 30,-0.2 -0.584 41.1 -82.4-112.1 176.5 25.0 15.6 8.5 21 36 A E T 3 S+ 0 0 79 28,-0.9 29,-0.1 1,-0.3 26,-0.0 0.697 131.4 59.0 -48.4 -22.8 27.8 13.8 6.7 22 37 A E T 3 S- 0 0 101 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.154 114.2-122.0 -95.0 17.3 27.8 16.8 4.4 23 38 A N < + 0 0 121 -3,-3.5 2,-0.3 1,-0.2 -2,-0.2 0.577 69.0 140.0 52.7 11.5 28.5 19.0 7.4 24 39 A E - 0 0 105 -4,-0.1 -4,-2.0 1,-0.0 2,-1.0 -0.646 57.6-126.7 -83.8 137.8 25.3 20.8 6.4 25 40 A G E +J 19 0C 14 -2,-0.3 -6,-0.3 -6,-0.2 -7,-0.1 -0.762 40.3 161.8 -89.8 102.0 23.1 21.8 9.3 26 41 A F E + 0 0 26 -2,-1.0 2,-0.2 -8,-1.0 159,-0.2 0.895 60.0 15.0 -86.7 -45.9 19.7 20.4 8.5 27 42 A b E -J 18 0C 3 -9,-1.0 -9,-1.6 157,-0.1 159,-0.2 -0.663 68.6-133.3-122.4 179.3 17.8 20.4 11.8 28 43 A G E -J 17 0C 4 157,-3.1 2,-0.3 -11,-0.2 12,-0.3 -0.516 15.9-175.9-122.1-169.3 18.2 22.1 15.2 29 44 A G E -J 16 0C 0 -13,-1.5 -13,-1.7 -2,-0.2 2,-0.4 -0.967 21.6-117.0-171.8-179.9 18.1 21.2 18.9 30 45 A T E -JL 15 38C 0 8,-1.5 8,-3.3 -2,-0.3 2,-0.4 -0.990 26.0-123.2-135.8 141.9 18.3 22.5 22.5 31 46 A I E + L 0 37C 1 -17,-1.2 76,-2.5 -2,-0.4 6,-0.2 -0.737 32.5 166.8 -86.9 129.7 20.8 21.6 25.1 32 47 A L - 0 0 7 4,-2.7 2,-0.3 -2,-0.4 5,-0.2 0.678 65.9 -8.2-111.7 -28.4 19.3 20.2 28.3 33 48 A S S S- 0 0 29 3,-1.5 -1,-0.4 72,-0.1 65,-0.1 -0.966 81.8 -84.5-160.4 167.6 22.4 18.8 30.1 34 49 A E S S+ 0 0 103 -2,-0.3 64,-3.8 1,-0.2 62,-0.1 0.761 131.9 29.3 -52.2 -22.5 26.1 18.2 29.5 35 50 A F S S+ 0 0 50 62,-0.2 59,-4.1 1,-0.1 2,-0.4 0.700 110.5 71.4-110.8 -23.5 25.0 14.9 27.9 36 51 A Y E - M 0 93C 10 57,-0.2 -4,-2.7 62,-0.0 -3,-1.5 -0.822 47.1-169.8-112.5 143.1 21.5 15.5 26.4 37 52 A I E -LM 31 92C 0 55,-2.5 55,-2.0 -2,-0.4 2,-0.5 -0.964 17.0-141.0-123.7 135.5 20.0 17.3 23.5 38 53 A L E +LM 30 91C 0 -8,-3.3 -8,-1.5 -2,-0.4 2,-0.3 -0.840 31.0 168.6 -98.1 126.7 16.3 17.9 22.8 39 54 A T E - M 0 90C 0 51,-2.2 51,-1.3 -2,-0.5 2,-0.3 -0.976 42.2 -94.0-142.8 155.0 15.0 17.7 19.2 40 55 A A > - 0 0 0 -2,-0.3 3,-1.3 -12,-0.3 4,-0.4 -0.471 38.5-133.9 -64.3 120.7 12.0 17.5 16.9 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.834 100.9 55.9 -43.6 -51.2 11.2 13.8 16.3 42 57 A H G 3 S+ 0 0 13 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.853 89.3 79.7 -56.3 -33.2 10.7 14.0 12.5 43 58 A b G X S+ 0 0 0 -3,-1.3 3,-1.0 1,-0.3 2,-1.0 0.732 72.9 76.6 -43.4 -32.4 14.2 15.6 12.2 44 59 A L T < S+ 0 0 35 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.1 0.006 93.1 56.6 -74.4 34.8 15.7 12.1 12.5 45 60 A Y T 3 S+ 0 0 111 -2,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.541 83.2 72.5-132.6 -32.7 14.6 11.7 8.9 46 61 A Q S < S+ 0 0 100 -3,-1.0 2,-0.3 -4,-0.3 -2,-0.1 0.079 106.1 40.0 -77.9 26.9 16.2 14.6 6.9 47 61AA A - 0 0 32 1,-0.1 3,-0.1 -21,-0.1 -27,-0.1 -0.931 62.4-146.0-158.1 178.0 19.5 12.8 7.3 48 62 A K S S+ 0 0 188 1,-0.5 2,-0.4 -2,-0.3 -1,-0.1 0.662 92.5 4.2-116.9 -52.5 21.2 9.4 7.3 49 63 A R S S- 0 0 135 2,-0.0 -28,-0.9 0, 0.0 -1,-0.5 -0.995 79.0-164.8-136.3 133.4 23.9 9.8 9.9 50 64 A F E -K 20 0C 36 -2,-0.4 21,-0.6 -30,-0.2 2,-0.3 -0.960 16.6-157.6-134.4 149.1 24.2 13.0 12.0 51 65 A K E -KN 19 70C 52 -32,-2.5 -32,-3.1 -2,-0.4 2,-0.6 -0.770 23.8-128.7-110.3 156.4 26.6 14.9 14.3 52 66 A V E -K 18 0C 0 17,-3.2 17,-0.3 -2,-0.3 2,-0.3 -0.930 23.0-164.2-116.1 111.3 25.5 17.5 16.8 53 67 A R E +K 17 0C 37 -36,-3.2 -36,-3.0 -2,-0.6 2,-0.3 -0.703 9.6 177.8 -94.2 142.8 27.3 20.8 16.7 54 68 A V B +P 67 0D 1 13,-2.7 13,-0.9 -2,-0.3 -38,-0.1 -0.968 55.4 40.2-141.8 156.0 27.2 23.5 19.4 55 69 A G S S+ 0 0 6 -40,-0.5 2,-0.4 48,-0.4 11,-0.3 0.235 78.6 130.7 91.4 -12.8 28.8 26.8 20.1 56 70 A D + 0 0 17 11,-0.2 -1,-0.3 -41,-0.2 3,-0.1 -0.602 23.9 163.5 -84.0 129.6 28.3 28.0 16.5 57 71 A R S S+ 0 0 51 -2,-0.4 86,-1.2 1,-0.3 2,-0.3 0.140 75.0 40.2-121.9 12.1 26.7 31.4 15.7 58 72 A N B > -Q 142 0E 6 84,-0.2 2,-1.1 3,-0.1 3,-0.7 -0.823 66.1-147.4-166.2 122.8 28.0 31.4 12.1 59 73 A T T 3 S+ 0 0 47 82,-2.8 83,-0.1 -2,-0.3 3,-0.1 -0.384 95.1 34.7 -90.2 55.0 28.2 28.7 9.5 60 74 A E T 3 S+ 0 0 102 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.339 104.3 64.6 176.9 6.0 31.3 29.9 7.7 61 75 A Q S < S- 0 0 94 -3,-0.7 -1,-0.2 0, 0.0 -4,-0.2 -0.918 78.6-120.4-148.2 115.8 33.7 31.5 10.2 62 76 A E - 0 0 149 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.352 24.1-176.9 -56.9 125.1 35.4 29.7 13.0 63 77 A E - 0 0 64 -5,-0.1 2,-2.3 -2,-0.1 -1,-0.2 0.242 36.6-131.3-104.6 6.7 34.4 31.4 16.3 64 78 A G S S+ 0 0 54 1,-0.2 -8,-0.1 0, 0.0 -2,-0.1 -0.164 93.0 77.7 72.8 -45.3 36.7 29.1 18.1 65 79 A G + 0 0 27 -2,-2.3 -1,-0.2 -10,-0.2 -9,-0.1 0.641 69.2 99.1 -73.2 -15.7 34.0 28.2 20.6 66 80 A E - 0 0 21 -11,-0.3 -11,-0.2 -13,-0.0 2,-0.2 0.167 48.4-176.7 -59.0-170.8 32.0 25.7 18.6 67 81 A A B -P 54 0D 30 -13,-0.9 -13,-2.7 2,-0.0 2,-0.2 -0.797 20.9-129.1 174.4 142.2 32.4 22.0 18.9 68 82 A V - 0 0 77 -15,-0.2 2,-0.3 -2,-0.2 -15,-0.2 -0.647 22.5-167.4 -99.5 161.6 31.0 18.9 17.2 69 83 A H - 0 0 13 -17,-0.3 -17,-3.2 -2,-0.2 2,-0.3 -0.975 14.1-134.9-151.4 133.8 29.6 15.9 19.2 70 84 A E B -N 51 0C 90 -2,-0.3 25,-2.5 -19,-0.2 26,-0.4 -0.673 24.7-117.9 -93.3 150.1 28.6 12.4 18.1 71 85 A V E -O 94 0C 38 -21,-0.6 23,-0.2 -2,-0.3 3,-0.1 -0.676 21.9-172.6 -86.5 134.0 25.4 10.8 19.2 72 86 A E E S- 0 0 89 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.819 73.5 -1.9 -93.1 -38.5 25.6 7.7 21.3 73 87 A V E -O 93 0C 63 20,-1.1 20,-2.3 2,-0.0 2,-0.5 -0.972 64.5-141.6-154.6 141.0 21.9 6.7 21.3 74 88 A V E -O 92 0C 76 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.934 6.9-159.8-111.2 127.5 18.9 8.3 19.8 75 89 A I E -O 91 0C 14 16,-2.6 16,-3.2 -2,-0.5 2,-0.3 -0.844 13.3-176.1-107.3 93.9 15.6 8.3 21.6 76 90 A K E -O 90 0C 68 -2,-0.8 2,-1.2 14,-0.3 14,-0.2 -0.681 37.9-108.3 -87.1 143.5 12.8 8.8 19.1 77 91 A H > - 0 0 14 12,-1.9 3,-1.8 -2,-0.3 12,-0.2 -0.638 31.3-143.4 -76.6 102.6 9.3 9.1 20.6 78 92 A N T 3 S+ 0 0 119 -2,-1.2 2,-1.4 1,-0.3 -1,-0.2 0.803 91.7 56.9 -24.3 -75.0 7.9 5.8 19.5 79 93 A R T 3 S+ 0 0 165 -3,-0.1 -1,-0.3 2,-0.0 7,-0.1 0.205 80.4 126.3 -55.4 17.9 4.3 6.9 18.8 80 94 A F < - 0 0 10 -3,-1.8 2,-0.2 -2,-1.4 7,-0.2 -0.384 36.5-175.7 -76.0 159.7 5.5 9.6 16.4 81 95 A T B >>> -R 86 0F 43 5,-0.5 4,-3.9 1,-0.1 3,-2.4 -0.748 28.0-152.3-164.4 113.0 4.0 9.6 12.9 82 96 A K T 345S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 -40,-0.0 0.868 95.4 69.6 -47.9 -44.8 4.8 11.7 9.9 83 97 A E T 345S+ 0 0 131 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.684 124.2 9.5 -50.9 -21.8 1.3 11.3 8.6 84 98 A T T <45S- 0 0 78 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.534 90.8-130.9-132.1 -21.3 0.1 13.5 11.5 85 99 A Y T ><5 + 0 0 76 -4,-3.9 3,-0.5 1,-0.2 2,-0.4 0.767 51.9 154.9 70.8 27.6 3.2 14.9 13.1 86 100 A D B 3 < +R 81 0F 24 -5,-0.8 -5,-0.5 1,-0.2 -1,-0.2 -0.757 60.8 17.3 -94.2 132.8 2.0 13.9 16.5 87 101 A F T 3 S+ 0 0 18 -2,-0.4 2,-1.9 1,-0.2 -1,-0.2 0.920 75.1 177.2 73.5 47.5 4.5 13.3 19.2 88 102 A D < + 0 0 1 -3,-0.5 2,-0.3 79,-0.1 -1,-0.2 -0.647 37.7 111.4 -84.1 79.1 7.2 15.1 17.3 89 103 A I + 0 0 0 -2,-1.9 -12,-1.9 -49,-0.3 2,-0.3 -0.987 34.1 162.0-151.7 150.5 9.8 14.8 20.0 90 104 A A E -MO 39 76C 0 -51,-1.3 -51,-2.2 -2,-0.3 2,-0.4 -0.982 22.5-138.0-163.6 161.4 13.1 12.9 20.5 91 105 A V E -MO 38 75C 0 -16,-3.2 -16,-2.6 -2,-0.3 2,-0.4 -0.960 7.4-161.6-139.9 124.8 16.2 12.9 22.7 92 106 A L E -MO 37 74C 0 -55,-2.0 -55,-2.5 -2,-0.4 2,-0.6 -0.832 7.6-154.1-101.8 131.1 19.8 12.4 21.8 93 107 A R E -MO 36 73C 57 -20,-2.3 -21,-2.8 -2,-0.4 -20,-1.1 -0.920 23.9-127.0-104.4 125.3 22.4 11.4 24.4 94 108 A L E - 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