==== 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 1IQM . 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) . 13271.0 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 . 83 29.0 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 . 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 . 24 8.4 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 . 21 7.3 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+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 . 6 3 3 4 2 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 0 1 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,-0.3 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 95.9 13.8 32.2 10.9 2 17 A V B -A 179 0A 10 177,-2.3 177,-1.3 178,-0.1 132,-0.1 -0.622 360.0 -12.4 -78.4 136.4 11.9 34.8 8.7 3 18 A G S S+ 0 0 29 130,-0.5 175,-0.1 -2,-0.3 142,-0.1 -0.156 94.1 99.7 64.1-167.0 12.2 38.3 10.2 4 19 A G S S- 0 0 11 140,-0.1 142,-0.2 143,-0.1 2,-0.1 -0.002 70.4 -69.5 80.7 171.3 13.5 38.6 13.8 5 20 A Q E -B 145 0B 138 140,-1.4 140,-3.0 1,-0.1 2,-0.3 -0.416 44.7 -96.6 -99.1 175.8 16.9 39.6 15.1 6 21 A E E -B 144 0B 63 138,-0.3 2,-0.9 -2,-0.1 138,-0.3 -0.637 39.4-109.8 -89.4 144.3 20.3 38.0 15.2 7 22 A a - 0 0 1 136,-2.9 136,-0.2 -2,-0.3 3,-0.2 -0.672 40.5-152.5 -77.1 107.5 21.5 36.1 18.3 8 23 A K >> - 0 0 106 -2,-0.9 3,-2.3 1,-0.2 4,-0.6 -0.204 44.0 -48.5 -74.3 172.4 24.2 38.3 19.7 9 24 A D T 34 S- 0 0 81 1,-0.3 -1,-0.2 2,-0.1 94,-0.1 -0.142 126.0 -8.7 -45.5 117.2 27.0 37.0 21.8 10 25 A G T 34 S+ 0 0 0 -3,-0.2 276,-0.9 2,-0.1 -1,-0.3 0.361 100.8 112.6 76.5 -5.3 25.7 34.7 24.5 11 26 A E T <4 S+ 0 0 57 -3,-2.3 3,-0.1 1,-0.2 -2,-0.1 0.864 87.1 28.1 -67.9 -37.8 22.0 35.4 23.9 12 27 A a S >< S+ 0 0 11 -4,-0.6 3,-1.4 1,-0.1 -1,-0.2 -0.388 72.7 147.7-123.3 57.5 21.1 32.0 22.5 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.7 0, 0.0 42,-0.4 0.638 67.7 60.1 -64.2 -20.3 23.6 29.7 24.3 14 29 A W T 3 S+ 0 0 7 90,-0.2 17,-2.6 -3,-0.1 93,-0.2 0.352 79.8 117.8 -92.2 4.4 21.3 26.6 24.5 15 30 A Q E < -K 30 0C 8 -3,-1.4 40,-0.5 15,-0.2 2,-0.3 -0.394 43.2-173.2 -71.6 147.6 21.0 26.5 20.7 16 31 A A E -K 29 0C 1 13,-1.3 13,-1.1 38,-0.1 2,-0.4 -0.943 12.6-146.6-140.1 160.6 22.2 23.4 18.9 17 32 A L E -KL 28 53C 7 36,-1.4 36,-2.7 -2,-0.3 2,-0.6 -0.996 7.3-145.0-134.8 133.6 22.6 22.3 15.3 18 33 A L E -KL 27 52C 0 9,-2.8 8,-2.7 -2,-0.4 9,-1.1 -0.887 24.6-168.3 -99.1 120.3 22.3 18.9 13.7 19 34 A I E -KL 25 51C 6 32,-2.9 32,-2.0 -2,-0.6 6,-0.2 -0.851 5.5-150.4-111.9 145.4 24.8 18.5 10.9 20 35 A N > - 0 0 18 4,-1.5 3,-1.6 -2,-0.3 30,-0.1 -0.179 44.8 -75.1 -97.2-166.7 24.9 15.8 8.3 21 36 A E T 3 S+ 0 0 121 28,-0.3 29,-0.1 1,-0.3 -2,-0.0 0.947 133.8 55.8 -55.8 -51.7 27.7 14.2 6.4 22 37 A E T 3 S- 0 0 125 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.597 116.9-122.1 -57.9 -9.0 28.0 17.3 4.2 23 38 A N < + 0 0 93 -3,-1.6 2,-0.4 1,-0.3 -2,-0.2 0.808 67.3 138.9 69.6 30.0 28.5 19.0 7.5 24 39 A E - 0 0 91 1,-0.0 -4,-1.5 2,-0.0 -1,-0.3 -0.887 59.4-110.4-109.4 137.6 25.4 21.2 6.8 25 40 A G E +K 19 0C 24 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.472 40.5 164.1 -67.9 128.3 22.8 22.0 9.4 26 41 A F E + 0 0 20 -8,-2.7 2,-0.3 1,-0.3 157,-0.2 0.586 63.6 9.2-116.5 -20.7 19.5 20.4 8.7 27 42 A b E -K 18 0C 0 -9,-1.1 -9,-2.8 157,-0.1 -1,-0.3 -0.950 65.7-119.8-152.7 171.5 17.8 20.8 12.1 28 43 A G E -K 17 0C 2 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.561 21.1-177.4-110.3 175.8 17.9 22.4 15.5 29 44 A G E -K 16 0C 0 -13,-1.1 -13,-1.3 -2,-0.2 2,-0.4 -0.940 22.6-121.6-160.3 171.5 18.1 21.2 19.0 30 45 A T E -KM 15 38C 0 8,-2.0 8,-3.1 -2,-0.3 2,-0.6 -0.995 23.6-125.3-127.5 134.4 18.1 22.5 22.6 31 46 A I E + M 0 37C 0 -17,-2.6 76,-2.8 -2,-0.4 6,-0.2 -0.689 31.2 172.1 -79.2 118.4 20.9 21.7 25.1 32 47 A L - 0 0 6 4,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.808 65.4 -27.3 -93.0 -35.0 19.2 20.3 28.2 33 48 A S S S- 0 0 28 3,-1.1 -1,-0.4 73,-0.1 3,-0.3 -0.918 83.3 -69.3-165.0 179.0 22.4 19.3 30.0 34 49 A E S S+ 0 0 100 -2,-0.3 64,-2.5 1,-0.2 3,-0.0 0.705 131.1 29.6 -58.1 -21.6 26.0 18.3 29.3 35 50 A F S S+ 0 0 48 62,-0.2 59,-3.6 1,-0.1 2,-0.4 0.614 109.3 71.2-114.5 -14.0 24.9 15.0 27.8 36 51 A Y E - N 0 93C 13 -3,-0.3 -4,-2.5 57,-0.2 -3,-1.1 -0.880 48.1-169.1-119.4 137.8 21.5 15.5 26.3 37 52 A I E -MN 31 92C 0 55,-2.2 55,-3.5 -2,-0.4 2,-0.5 -0.949 15.7-143.6-118.9 136.9 20.0 17.3 23.3 38 53 A L E +MN 30 91C 1 -8,-3.1 -8,-2.0 -2,-0.4 2,-0.3 -0.841 35.4 144.0 -98.7 130.7 16.3 18.0 22.7 39 54 A T E - N 0 90C 0 51,-3.0 51,-2.2 -2,-0.5 2,-0.3 -0.883 48.9 -78.3-151.5-178.0 14.9 17.8 19.2 40 55 A A > - 0 0 0 -12,-0.4 3,-1.0 49,-0.3 4,-0.5 -0.684 29.8-134.6 -90.4 144.0 12.0 16.8 17.0 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-2.0 1,-0.2 4,-0.3 0.923 103.4 60.7 -62.6 -43.7 11.5 13.2 16.1 42 57 A H G >> S+ 0 0 15 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.659 94.0 66.1 -61.3 -12.6 10.8 13.9 12.4 43 58 A b G <4 S+ 0 0 0 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.740 86.0 70.0 -78.6 -22.1 14.3 15.4 12.1 44 59 A L G <4 S+ 0 0 28 -3,-2.0 3,-0.3 -4,-0.5 -1,-0.2 0.673 99.0 51.1 -67.7 -15.2 15.8 12.0 12.7 45 60 A Y T <4 S+ 0 0 115 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.810 93.2 70.6 -89.4 -34.7 14.5 11.1 9.3 46 61 A Q S < S+ 0 0 92 -4,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.289 100.1 49.8 -69.7 11.9 16.0 14.0 7.3 47 61AA A - 0 0 16 -3,-0.3 3,-0.2 1,-0.2 -1,-0.0 -0.977 63.0-146.0-157.1 140.9 19.5 12.7 7.7 48 62 A K S S- 0 0 194 -2,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.992 89.9 -12.9 -60.5 -81.9 21.6 9.5 7.2 49 63 A R S S+ 0 0 155 2,-0.0 -28,-0.3 0, 0.0 -1,-0.3 -0.949 80.0 176.2-123.7 142.4 24.1 9.9 10.0 50 64 A F - 0 0 27 -2,-0.4 21,-0.5 -3,-0.2 2,-0.3 -0.948 20.9-156.4-146.9 167.3 24.6 13.2 12.0 51 65 A K E -LO 19 70C 64 -32,-2.0 -32,-2.9 -2,-0.3 2,-0.4 -0.847 26.1-115.4-134.5 168.7 26.3 14.9 14.8 52 66 A V E -LO 18 69C 0 17,-2.0 17,-2.2 -2,-0.3 2,-0.4 -0.878 17.9-153.7-115.0 147.6 25.4 18.0 16.8 53 67 A R E -LO 17 68C 31 -36,-2.7 -36,-1.4 -2,-0.4 3,-0.2 -0.962 11.9-176.7-121.4 131.0 27.2 21.4 17.1 54 68 A V E + O 0 67C 0 13,-1.4 13,-0.9 -2,-0.4 50,-0.1 -0.675 62.3 33.2-116.1 173.3 27.1 23.9 20.0 55 69 A G S S+ 0 0 3 48,-0.8 2,-0.5 -40,-0.5 10,-0.2 0.807 82.4 133.7 51.6 34.4 28.5 27.3 20.5 56 70 A D + 0 0 9 -3,-0.2 -1,-0.2 -41,-0.2 3,-0.1 -0.959 18.7 156.2-120.4 119.4 28.1 28.2 16.9 57 71 A R S S+ 0 0 59 -2,-0.5 86,-2.2 1,-0.2 2,-0.3 0.552 72.7 40.0-112.1 -15.8 26.5 31.6 15.8 58 72 A N B -Q 142 0D 6 84,-0.2 -1,-0.2 3,-0.2 84,-0.2 -0.878 64.3-155.2-139.6 104.0 28.0 32.0 12.3 59 73 A T S S+ 0 0 67 82,-2.8 3,-0.1 -2,-0.3 83,-0.1 0.474 91.9 47.8 -59.3 0.9 28.2 28.9 10.0 60 74 A E S S+ 0 0 131 81,-0.3 2,-0.9 1,-0.2 -1,-0.2 0.856 99.4 54.6-106.9 -58.6 31.1 30.6 8.1 61 75 A Q S S- 0 0 94 1,-0.1 -1,-0.2 2,-0.0 -3,-0.2 -0.732 88.2-120.2 -88.1 106.0 33.7 32.1 10.4 62 76 A E - 0 0 151 -2,-0.9 2,-0.5 -3,-0.1 -3,-0.1 -0.113 26.9-156.8 -43.6 124.1 35.1 29.4 12.8 63 77 A E > - 0 0 42 -5,-0.1 3,-2.5 -8,-0.1 -1,-0.1 -0.946 17.3-135.7-111.9 124.3 34.5 30.5 16.4 64 78 A G T 3 S+ 0 0 75 -2,-0.5 -1,-0.1 1,-0.3 -8,-0.1 0.610 99.3 71.4 -53.0 -14.0 36.7 29.0 19.1 65 79 A G T 3 S+ 0 0 23 -10,-0.2 -1,-0.3 2,-0.0 36,-0.1 0.518 80.2 105.4 -82.7 -3.0 33.7 28.4 21.3 66 80 A E < + 0 0 23 -3,-2.5 2,-0.3 -13,-0.0 -11,-0.2 -0.278 42.4 175.0 -77.7 162.7 32.5 25.6 19.0 67 81 A A E -O 54 0C 24 -13,-0.9 -13,-1.4 -2,-0.0 2,-0.4 -0.969 21.3-139.1-161.7 148.8 32.5 21.9 19.5 68 82 A V E -O 53 0C 75 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.962 19.8-170.1-118.2 135.1 31.2 18.8 17.7 69 83 A H E -O 52 0C 10 -17,-2.2 -17,-2.0 -2,-0.4 2,-0.3 -0.942 14.5-136.4-124.7 146.4 29.7 15.9 19.5 70 84 A E E -O 51 0C 88 -2,-0.4 25,-2.4 -19,-0.2 2,-0.4 -0.675 26.5-112.1 -96.8 157.1 28.7 12.5 18.3 71 85 A V E -P 94 0C 34 -21,-0.5 23,-0.2 -2,-0.3 3,-0.1 -0.767 22.9-172.5 -93.2 133.1 25.4 10.8 19.3 72 86 A E E S- 0 0 94 21,-3.3 2,-0.3 -2,-0.4 22,-0.2 0.885 74.6 -11.6 -86.7 -48.5 25.6 7.8 21.5 73 87 A V E -P 93 0C 62 20,-1.4 20,-2.4 2,-0.0 2,-0.5 -0.970 60.0-140.6-155.2 138.7 21.9 6.9 21.3 74 88 A V E -P 92 0C 70 -2,-0.3 2,-0.9 18,-0.2 18,-0.2 -0.898 10.5-154.9-103.1 126.9 18.8 8.6 19.9 75 89 A I E -P 91 0C 10 16,-3.1 16,-2.3 -2,-0.5 2,-0.5 -0.887 19.7-177.7-101.0 104.0 15.6 8.2 22.0 76 90 A K E -P 90 0C 83 -2,-0.9 14,-0.2 14,-0.2 2,-0.1 -0.890 32.2-109.6-104.8 134.9 12.8 8.8 19.5 77 91 A H > - 0 0 15 12,-1.4 3,-0.8 -2,-0.5 12,-0.1 -0.395 19.6-147.5 -63.2 131.1 9.3 8.7 20.7 78 92 A N T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.928 93.7 61.6 -64.7 -47.0 7.5 5.6 19.4 79 93 A R T 3 S+ 0 0 163 2,-0.0 -1,-0.2 -3,-0.0 7,-0.2 0.595 81.5 113.1 -57.8 -13.0 4.0 7.2 19.1 80 94 A F < + 0 0 5 -3,-0.8 2,-0.3 7,-0.2 7,-0.2 -0.330 40.6 171.0 -65.2 144.9 5.5 9.6 16.6 81 95 A T B >>> -R 86 0E 44 5,-0.8 4,-2.7 1,-0.1 5,-0.5 -0.968 38.4-133.7-156.8 138.5 4.2 9.4 13.0 82 96 A K T 345S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.774 100.9 66.5 -64.1 -28.6 4.7 11.6 9.9 83 97 A E T 345S+ 0 0 141 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.897 122.1 14.5 -62.1 -40.9 1.0 11.5 9.1 84 98 A T T <45S- 0 0 72 -3,-0.5 81,-0.2 2,-0.1 -2,-0.2 0.620 86.1-139.7-108.5 -18.8 -0.0 13.5 12.2 85 99 A Y T ><5 + 0 0 83 -4,-2.7 3,-0.6 1,-0.3 2,-0.3 0.764 51.0 152.2 62.4 22.5 3.3 14.9 13.4 86 100 A D B 3 < +R 81 0E 21 -5,-0.5 -5,-0.8 1,-0.2 -1,-0.3 -0.672 60.0 22.8 -86.3 141.2 2.0 14.1 16.8 87 101 A F T 3 S+ 0 0 25 -2,-0.3 2,-2.0 1,-0.2 -1,-0.2 0.905 77.3 174.8 69.7 40.9 4.7 13.3 19.5 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.2 -1,-0.2 -0.612 37.8 106.6 -82.2 82.1 7.2 15.3 17.4 89 103 A I + 0 0 0 -2,-2.0 -12,-1.4 -49,-0.2 2,-0.3 -0.988 37.3 168.3-158.6 152.5 9.9 15.0 20.0 90 104 A A E -NP 39 76C 0 -51,-2.2 -51,-3.0 -2,-0.3 2,-0.4 -0.962 20.9-140.2-165.3 150.2 13.2 13.1 20.7 91 105 A V E -NP 38 75C 0 -16,-2.3 -16,-3.1 -2,-0.3 2,-0.5 -0.956 14.5-148.3-119.2 138.1 16.1 13.2 23.1 92 106 A L E -NP 37 74C 0 -55,-3.5 -55,-2.2 -2,-0.4 2,-0.7 -0.907 1.7-152.8-111.4 128.2 19.8 12.7 22.2 93 107 A R E -NP 36 73C 58 -20,-2.4 -21,-3.3 -2,-0.5 -20,-1.4 -0.876 22.1-143.8 -97.0 115.2 22.4 11.1 24.5 94 108 A L E - 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