==== 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 1IQJ . 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) . 13203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 58.0 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 . 75 26.2 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 . 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 . 26 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 0 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 2 5 2 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 1 0 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 96.3 13.8 32.0 10.6 2 17 A V B -A 179 0A 5 177,-2.4 177,-0.9 144,-0.0 132,-0.1 -0.537 360.0 -20.5 -74.9 140.0 11.8 34.5 8.6 3 18 A G S S+ 0 0 31 130,-0.5 175,-0.1 -2,-0.2 173,-0.0 -0.402 93.9 116.7 62.5-132.1 12.1 38.1 9.9 4 19 A G - 0 0 15 143,-0.1 142,-0.2 -2,-0.1 -1,-0.1 0.254 64.9 -93.4 56.7 171.5 13.4 38.0 13.4 5 20 A Q - 0 0 141 140,-2.0 2,-0.4 1,-0.0 0, 0.0 0.148 46.6 -78.3 -98.0-145.0 16.7 39.5 14.6 6 21 A E - 0 0 67 138,-0.2 2,-0.3 122,-0.0 138,-0.3 -0.976 33.1-119.0-131.4 122.5 20.1 37.9 15.1 7 22 A a - 0 0 1 136,-1.0 136,-0.2 -2,-0.4 3,-0.1 -0.403 38.9-158.3 -57.9 115.5 21.3 35.7 18.0 8 23 A K > - 0 0 103 -2,-0.3 3,-1.6 1,-0.2 4,-0.4 -0.169 40.7 -47.3 -85.5-174.8 24.2 37.6 19.5 9 24 A D T 3 S- 0 0 70 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.315 124.5 -11.6 -58.2 129.2 27.1 36.3 21.6 10 25 A G T 3 S+ 0 0 0 1,-0.1 -1,-0.3 -3,-0.1 94,-0.1 0.801 103.1 114.1 47.5 37.6 25.8 34.0 24.4 11 26 A E S < S+ 0 0 55 -3,-1.6 -2,-0.1 274,-0.2 -1,-0.1 0.452 88.1 24.8-110.5 -9.5 22.2 35.2 23.7 12 27 A a S > S+ 0 0 8 -4,-0.4 3,-2.1 274,-0.1 -2,-0.1 -0.231 74.3 151.7-149.2 46.3 21.0 31.7 22.6 13 28 A P T 3 + 0 0 3 0, 0.0 92,-2.5 0, 0.0 88,-0.1 0.522 69.4 61.0 -60.2 -8.8 23.5 29.4 24.3 14 29 A W T 3 S+ 0 0 6 90,-0.2 17,-2.3 92,-0.1 93,-0.2 0.575 78.8 116.4 -95.7 -10.3 21.1 26.5 24.4 15 30 A Q E < -B 30 0B 10 -3,-2.1 40,-0.7 15,-0.2 2,-0.4 -0.292 42.3-178.7 -60.7 135.1 20.8 26.4 20.6 16 31 A A E -BC 29 54B 0 13,-1.5 13,-0.9 38,-0.1 2,-0.4 -1.000 13.4-153.7-141.0 141.0 22.0 23.2 19.0 17 32 A L E -BC 28 53B 5 36,-2.4 36,-2.4 -2,-0.4 2,-0.6 -0.920 10.8-140.5-117.2 139.3 22.3 22.2 15.4 18 33 A L E -BC 27 52B 0 9,-2.1 8,-2.4 -2,-0.4 9,-1.2 -0.891 23.6-159.1-100.6 119.5 22.2 18.6 14.0 19 34 A I E -BC 25 51B 4 32,-2.4 32,-2.8 -2,-0.6 6,-0.2 -0.677 5.2-136.8-101.3 151.5 24.7 18.1 11.1 20 35 A N > - 0 0 20 4,-2.5 3,-2.9 -2,-0.3 30,-0.2 -0.405 39.4 -89.6 -97.0 177.3 24.7 15.5 8.3 21 36 A E T 3 S+ 0 0 98 28,-0.5 29,-0.1 1,-0.3 -1,-0.1 0.619 132.3 56.6 -61.7 -13.2 27.6 13.4 6.9 22 37 A E T 3 S- 0 0 109 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.178 119.5-118.3-100.8 12.3 28.0 16.3 4.4 23 38 A N < + 0 0 101 -3,-2.9 -2,-0.2 1,-0.2 2,-0.1 0.370 68.0 143.2 67.5 -3.6 28.4 18.5 7.5 24 39 A E - 0 0 113 -5,-0.1 -4,-2.5 1,-0.1 2,-0.7 -0.418 55.3-122.6 -68.3 138.6 25.3 20.4 6.5 25 40 A G E +B 19 0B 16 -6,-0.2 -6,-0.3 1,-0.2 -1,-0.1 -0.755 38.5 166.3 -84.4 116.9 23.0 21.5 9.3 26 41 A F E + 0 0 21 -8,-2.4 2,-0.3 -2,-0.7 159,-0.2 0.682 56.8 11.4-104.8 -22.8 19.6 20.1 8.7 27 42 A b E -B 18 0B 1 -9,-1.2 -9,-2.1 157,-0.1 159,-0.2 -0.880 65.1-117.8-145.9 178.8 17.7 20.5 12.0 28 43 A G E +B 17 0B 5 157,-3.3 12,-0.3 -2,-0.3 2,-0.3 -0.412 23.6 175.9-110.7-173.4 17.8 22.2 15.5 29 44 A G E -B 16 0B 0 -13,-0.9 -13,-1.5 -2,-0.1 2,-0.4 -0.964 25.3-116.0-177.3 172.3 17.8 21.0 19.1 30 45 A T E -BD 15 38B 0 8,-2.1 8,-3.3 -2,-0.3 2,-0.9 -0.990 20.9-129.9-133.6 126.5 18.0 22.2 22.7 31 46 A I E + D 0 37B 0 -17,-2.3 76,-2.2 -2,-0.4 6,-0.2 -0.625 34.1 165.5 -73.4 105.2 20.8 21.5 25.2 32 47 A L - 0 0 9 4,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.844 67.0 -6.7 -88.4 -39.3 19.0 20.3 28.3 33 48 A S S S- 0 0 31 3,-2.1 -1,-0.3 72,-0.1 65,-0.1 -0.909 80.0 -90.1-147.9 172.9 22.1 18.9 30.0 34 49 A E S S+ 0 0 95 -2,-0.3 64,-3.5 1,-0.2 3,-0.1 0.730 130.1 28.5 -59.6 -21.8 25.8 18.2 29.4 35 50 A F S S+ 0 0 51 62,-0.2 59,-3.6 1,-0.1 2,-0.4 0.688 113.1 68.9-111.0 -26.0 24.7 14.8 28.1 36 51 A Y E - E 0 93B 13 57,-0.2 -3,-2.1 62,-0.1 -4,-1.9 -0.847 50.7-169.6-113.4 137.7 21.2 15.3 26.7 37 52 A I E -DE 31 92B 0 55,-2.4 55,-2.9 -2,-0.4 2,-0.5 -0.961 15.9-141.4-120.8 130.2 19.7 17.1 23.7 38 53 A L E +DE 30 91B 1 -8,-3.3 -8,-2.1 -2,-0.4 2,-0.3 -0.775 35.6 150.6 -93.3 126.1 16.1 17.8 23.0 39 54 A T E - E 0 90B 0 51,-2.5 51,-2.9 -2,-0.5 2,-0.4 -0.888 46.7 -81.4-145.4 175.7 14.9 17.6 19.4 40 55 A A > - 0 0 0 -12,-0.3 3,-1.6 49,-0.3 4,-0.4 -0.658 29.1-138.2 -84.4 135.2 11.9 16.8 17.0 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.889 102.8 59.6 -56.6 -42.3 11.3 13.1 16.3 42 57 A H G > S+ 0 0 22 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.575 92.2 69.2 -67.2 -8.8 10.6 13.9 12.6 43 58 A b G X S+ 0 0 0 -3,-1.6 3,-0.5 1,-0.2 -1,-0.3 0.670 78.8 77.8 -80.8 -18.8 14.2 15.3 12.3 44 59 A L G < S+ 0 0 35 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 0.173 91.5 58.5 -76.0 21.8 15.6 11.8 12.7 45 60 A Y G < S+ 0 0 112 -3,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.702 81.8 70.5-121.1 -33.0 14.7 11.2 9.1 46 61 A Q S < S+ 0 0 92 -3,-0.5 2,-0.3 -4,-0.3 -2,-0.1 0.028 105.8 46.1 -78.6 30.9 16.4 13.8 6.9 47 61AA A - 0 0 25 -2,-0.3 3,-0.2 1,-0.1 -27,-0.0 -0.905 61.6-153.4-169.9 140.1 19.7 12.0 7.6 48 62 A K S S+ 0 0 177 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.890 96.3 2.0 -82.4 -43.5 21.0 8.4 7.8 49 63 A R S S+ 0 0 118 2,-0.0 -28,-0.5 0, 0.0 -1,-0.4 -0.951 82.0 172.2-147.5 118.5 23.7 9.2 10.3 50 64 A F - 0 0 24 -2,-0.3 21,-0.5 -3,-0.2 2,-0.3 -0.753 18.6-147.3-126.0 173.2 24.1 12.7 11.8 51 65 A K E -C 19 0B 49 -32,-2.8 -32,-2.4 -2,-0.2 2,-0.5 -0.824 20.5-117.8-132.1 170.6 26.1 14.5 14.5 52 66 A V E -CF 18 69B 0 17,-1.8 17,-1.4 -34,-0.3 2,-0.3 -0.931 20.8-165.7-123.6 114.5 25.3 17.5 16.7 53 67 A R E +CF 17 68B 27 -36,-2.4 -36,-2.4 -2,-0.5 2,-0.3 -0.701 12.9 179.3 -92.7 145.7 27.2 20.8 16.6 54 68 A V E +CF 16 67B 1 13,-2.0 13,-0.6 -2,-0.3 -38,-0.1 -0.960 54.5 38.5-143.4 159.2 26.8 23.3 19.4 55 69 A G S S+ 0 0 6 -40,-0.7 2,-0.5 -2,-0.3 9,-0.2 0.784 80.5 132.6 71.2 26.6 28.3 26.7 20.3 56 70 A D + 0 0 18 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.945 24.0 163.9-114.3 125.2 28.1 27.8 16.7 57 71 A R S S+ 0 0 47 -2,-0.5 86,-2.9 1,-0.3 2,-0.4 0.675 72.0 39.6-109.7 -25.8 26.6 31.2 15.7 58 72 A N B -H 142 0C 9 3,-0.2 2,-0.9 84,-0.2 -1,-0.3 -0.981 63.0-156.1-128.7 121.5 28.0 31.5 12.2 59 73 A T S S+ 0 0 49 82,-4.1 83,-0.1 -2,-0.4 3,-0.1 -0.249 91.8 34.1 -90.9 49.7 28.2 28.6 9.8 60 74 A E S S+ 0 0 143 -2,-0.9 2,-0.6 1,-0.4 -1,-0.1 0.206 102.8 64.0-157.1 -61.3 31.0 30.2 7.7 61 75 A Q S S- 0 0 91 1,-0.1 2,-0.4 0, 0.0 -1,-0.4 -0.707 84.7-124.3 -82.7 118.7 33.4 32.3 9.8 62 76 A E + 0 0 150 -2,-0.6 -3,-0.1 -3,-0.1 -1,-0.1 -0.503 35.4 173.7 -69.6 119.8 35.2 30.0 12.3 63 77 A E - 0 0 60 -2,-0.4 -1,-0.1 -5,-0.2 -7,-0.1 0.377 34.3-116.3 -94.2-130.1 34.8 31.2 15.9 64 78 A G S S+ 0 0 62 -9,-0.2 -8,-0.1 3,-0.0 -2,-0.0 0.507 93.6 69.4-149.3 -25.9 36.1 29.2 18.8 65 79 A G S S+ 0 0 22 -10,-0.2 -9,-0.1 2,-0.0 36,-0.1 0.500 73.2 112.0 -81.3 -3.3 33.4 28.0 21.1 66 80 A E + 0 0 21 -13,-0.1 2,-0.2 38,-0.0 -11,-0.2 -0.016 40.4 172.6 -59.3 176.1 32.0 25.5 18.5 67 81 A A E -F 54 0B 29 -13,-0.6 -13,-2.0 2,-0.0 2,-0.3 -0.697 23.4-134.4 174.0 132.0 32.3 21.8 19.2 68 82 A V E -F 53 0B 77 -15,-0.2 2,-0.3 -2,-0.2 -15,-0.2 -0.753 21.9-172.1-100.7 146.9 30.9 18.6 17.6 69 83 A H E -F 52 0B 13 -17,-1.4 -17,-1.8 -2,-0.3 2,-0.4 -0.886 17.2-127.6-132.7 163.5 29.4 15.7 19.4 70 84 A E - 0 0 90 -2,-0.3 25,-2.0 -19,-0.2 26,-0.3 -0.947 22.7-120.2-119.4 133.2 28.2 12.2 18.6 71 85 A V E -G 94 0B 35 -21,-0.5 23,-0.2 -2,-0.4 3,-0.2 -0.504 24.2-176.0 -66.6 125.7 24.8 10.7 19.4 72 86 A E E S+ 0 0 113 21,-3.8 2,-0.3 1,-0.4 22,-0.2 0.840 74.7 0.7 -89.6 -40.2 25.3 7.7 21.6 73 87 A V E -G 93 0B 52 20,-1.3 20,-2.5 2,-0.0 2,-0.4 -0.967 65.2-144.8-150.3 129.9 21.6 6.8 21.6 74 88 A V E -G 92 0B 79 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.775 10.7-158.3 -92.8 142.2 18.6 8.3 20.0 75 89 A I E -G 91 0B 6 16,-0.7 16,-1.6 -2,-0.4 2,-0.3 -0.771 13.1-176.0-123.4 84.9 15.3 8.2 21.9 76 90 A K E -G 90 0B 78 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.616 35.1-109.2 -81.9 138.9 12.4 8.6 19.6 77 91 A H > - 0 0 14 12,-1.6 3,-2.2 -2,-0.3 12,-0.1 -0.547 24.4-141.2 -68.5 117.3 8.9 8.8 21.1 78 92 A N T 3 S+ 0 0 119 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.920 96.5 61.6 -43.4 -55.9 7.3 5.5 20.1 79 93 A R T 3 S+ 0 0 129 -3,-0.1 -1,-0.3 2,-0.0 7,-0.1 0.355 77.4 125.8 -57.5 3.3 3.9 7.1 19.5 80 94 A F < - 0 0 9 -3,-2.2 2,-0.3 7,-0.1 7,-0.2 -0.344 36.3-175.2 -68.5 148.4 5.3 9.3 16.7 81 95 A T B >>> -I 86 0D 30 5,-0.7 4,-3.2 1,-0.1 3,-2.1 -0.927 24.7-156.0-147.6 116.6 3.6 9.3 13.3 82 96 A K T 345S+ 0 0 103 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.809 95.8 71.1 -58.7 -28.5 4.9 11.2 10.3 83 97 A E T 345S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.639 121.8 7.2 -63.4 -17.5 1.3 11.0 9.1 84 98 A T T <45S- 0 0 71 -3,-2.1 -2,-0.2 2,-0.1 -1,-0.2 0.442 89.9-125.2-142.2 -11.6 0.2 13.5 11.8 85 99 A Y T ><5 + 0 0 93 -4,-3.2 3,-0.7 1,-0.2 2,-0.5 0.868 53.7 160.9 63.2 34.9 3.4 14.8 13.4 86 100 A D B 3 < +I 81 0D 17 -5,-0.8 -5,-0.7 1,-0.3 -1,-0.2 -0.794 61.7 13.4 -95.6 131.8 2.0 13.8 16.8 87 101 A F T 3 S- 0 0 26 -2,-0.5 2,-1.7 1,-0.2 -10,-0.3 0.874 80.0-176.1 73.6 40.4 4.4 13.4 19.6 88 102 A D < + 0 0 1 -3,-0.7 2,-0.3 -47,-0.1 -1,-0.2 -0.554 39.1 103.8 -72.3 91.8 7.0 15.2 17.6 89 103 A I + 0 0 0 -2,-1.7 -12,-1.6 -49,-0.2 2,-0.3 -0.930 36.5 169.2-171.3 145.5 9.9 14.8 20.0 90 104 A A E -EG 39 76B 0 -51,-2.9 -51,-2.5 -2,-0.3 2,-0.4 -0.964 22.7-136.0-153.9 161.8 13.1 12.8 20.7 91 105 A V E -EG 38 75B 0 -16,-1.6 -16,-0.7 -2,-0.3 2,-0.5 -0.971 12.9-150.0-133.8 121.7 16.0 13.0 23.1 92 106 A L E -EG 37 74B 0 -55,-2.9 -55,-2.4 -2,-0.4 2,-0.6 -0.783 3.0-153.7 -94.2 121.1 19.6 12.5 22.1 93 107 A R E -EG 36 73B 58 -20,-2.5 -21,-3.8 -2,-0.5 -20,-1.3 -0.816 19.2-144.5 -91.8 120.3 22.2 11.1 24.6 94 108 A L E - 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