==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUL-01 1IQH . 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) . 13220.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 57.3 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 . 77 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 22 7.7 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 . 19 6.6 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 0 0 0 1 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 . 4 3 4 3 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 1 0, 0.0 2,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 140.3 13.9 31.7 10.2 2 17 A V B -A 179 0A 8 177,-1.7 177,-0.9 142,-0.0 2,-0.2 -0.971 360.0 -22.2-115.8 124.6 12.1 34.6 8.6 3 18 A G S S+ 0 0 27 -2,-0.5 175,-0.1 130,-0.3 142,-0.1 -0.529 86.9 118.3 77.2-145.5 12.8 38.0 10.1 4 19 A G - 0 0 18 -2,-0.2 142,-0.2 143,-0.1 -1,-0.1 0.075 66.5 -83.9 70.0 170.1 14.0 38.0 13.7 5 20 A Q E -B 145 0B 134 140,-1.8 140,-1.5 1,-0.0 2,-0.4 -0.262 47.5 -88.9 -97.9-168.4 17.3 39.3 14.9 6 21 A E E -B 144 0B 68 138,-0.2 2,-0.6 -2,-0.1 138,-0.2 -0.875 41.3-108.5-106.4 135.3 20.7 37.6 14.9 7 22 A a - 0 0 2 136,-2.2 2,-0.2 -2,-0.4 136,-0.2 -0.493 42.4-148.0 -63.8 111.1 21.7 35.5 17.9 8 23 A K > - 0 0 99 -2,-0.6 3,-4.0 1,-0.2 4,-0.4 -0.523 39.1 -61.5 -86.5 153.8 24.4 37.7 19.5 9 24 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -2,-0.2 93,-0.0 0.041 126.9 0.5 -31.3 105.7 27.4 36.4 21.4 10 25 A G T 3 S+ 0 0 0 -3,-0.1 -1,-0.3 2,-0.1 276,-0.3 0.402 102.7 106.3 90.8 -2.0 25.9 34.5 24.3 11 26 A E S < S+ 0 0 64 -3,-4.0 3,-0.1 1,-0.2 -2,-0.1 0.917 87.7 27.3 -77.5 -45.6 22.2 35.1 23.5 12 27 A a S > S+ 0 0 9 -4,-0.4 3,-0.8 1,-0.1 -1,-0.2 -0.596 71.7 148.8-117.2 68.4 21.1 31.6 22.3 13 28 A P T 3 + 0 0 1 0, 0.0 92,-2.3 0, 0.0 42,-0.2 0.535 67.4 59.6 -78.8 -7.5 23.6 29.4 24.1 14 29 A W T 3 S+ 0 0 3 90,-0.2 17,-2.3 -3,-0.1 93,-0.2 0.458 77.1 114.7 -98.8 -3.8 21.2 26.4 24.3 15 30 A Q E < -J 30 0C 8 -3,-0.8 40,-0.6 15,-0.2 2,-0.3 -0.311 43.8-174.6 -63.9 152.1 20.8 26.1 20.6 16 31 A A E -JK 29 54C 1 13,-1.2 13,-1.1 38,-0.1 2,-0.4 -0.970 11.0-148.1-146.5 149.7 22.1 22.9 19.1 17 32 A L E -JK 28 53C 5 36,-2.7 36,-4.3 -2,-0.3 2,-0.7 -0.987 6.1-144.5-131.1 129.4 22.3 21.8 15.4 18 33 A L E -JK 27 52C 0 9,-2.4 8,-2.2 -2,-0.4 9,-0.6 -0.819 24.5-166.9 -92.9 117.2 22.0 18.3 14.0 19 34 A I E -JK 25 51C 3 32,-3.1 32,-2.0 -2,-0.7 6,-0.2 -0.775 8.0-136.9-107.2 149.3 24.4 17.9 11.0 20 35 A N E > - K 0 50C 25 4,-2.1 3,-3.5 -2,-0.3 30,-0.2 -0.283 41.6 -79.0 -94.2-179.1 24.5 15.1 8.3 21 36 A E T 3 S+ 0 0 88 28,-0.6 29,-0.1 1,-0.3 26,-0.0 0.905 132.2 54.1 -41.5 -55.5 27.3 13.2 6.6 22 37 A E T 3 S- 0 0 125 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.475 119.9-114.3 -62.9 -2.1 28.0 16.1 4.4 23 38 A N < + 0 0 104 -3,-3.5 2,-0.4 1,-0.3 -2,-0.2 0.863 69.0 145.5 69.0 35.2 28.4 18.2 7.5 24 39 A E - 0 0 91 -4,-0.1 -4,-2.1 2,-0.0 -1,-0.3 -0.861 53.4-117.7-106.9 138.5 25.3 20.2 6.6 25 40 A G E +J 19 0C 18 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.544 41.3 160.1 -73.6 138.4 22.8 21.5 9.2 26 41 A F E + 0 0 14 -8,-2.2 2,-0.3 1,-0.5 157,-0.3 0.365 59.7 7.5-141.0 4.2 19.4 20.0 8.7 27 42 A b E -J 18 0C 0 -9,-0.6 -9,-2.4 157,-0.1 -1,-0.5 -0.936 67.2-116.4-177.0 159.3 17.5 20.5 12.0 28 43 A G E -J 17 0C 1 157,-3.0 2,-0.3 -2,-0.3 -11,-0.2 -0.236 22.7-173.4 -97.4-171.8 17.8 22.1 15.4 29 44 A G E -J 16 0C 0 -13,-1.1 -13,-1.2 10,-0.1 2,-0.4 -0.955 19.6-124.9-169.0 173.2 18.0 20.9 19.0 30 45 A T E -JL 15 38C 1 8,-1.2 8,-2.8 -2,-0.3 -15,-0.2 -0.915 19.5-131.7-141.0 113.5 18.1 22.1 22.6 31 46 A I E + L 0 37C 0 -17,-2.3 76,-2.2 -2,-0.4 6,-0.2 -0.415 30.2 169.7 -62.5 125.6 20.8 21.3 25.1 32 47 A L - 0 0 5 4,-2.9 2,-0.2 1,-0.4 -1,-0.2 0.778 66.7 -14.0-103.6 -44.8 19.0 20.2 28.3 33 48 A S S S- 0 0 39 3,-1.5 -1,-0.4 72,-0.1 74,-0.1 -0.735 85.7 -80.1-141.9-171.7 22.0 18.9 30.2 34 49 A E S S+ 0 0 95 -2,-0.2 64,-2.0 1,-0.2 62,-0.1 0.801 130.1 32.2 -68.3 -26.6 25.7 18.1 29.5 35 50 A F S S+ 0 0 48 62,-0.2 59,-2.9 1,-0.1 2,-0.4 0.618 110.5 67.8-105.2 -17.1 24.6 14.7 28.1 36 51 A Y E - M 0 93C 12 57,-0.2 -4,-2.9 62,-0.1 -3,-1.5 -0.923 49.9-169.7-121.8 134.2 21.1 15.3 26.6 37 52 A I E -LM 31 92C 0 55,-1.7 55,-2.1 -2,-0.4 2,-0.5 -0.910 18.2-141.7-111.8 137.6 19.8 17.3 23.6 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-1.2 -2,-0.4 2,-0.3 -0.884 34.2 153.8-103.9 124.1 16.1 17.8 23.1 39 54 A T E - M 0 90C 0 51,-2.3 51,-3.6 -2,-0.5 2,-0.2 -0.943 46.8 -82.2-146.9 166.5 14.7 17.7 19.5 40 55 A A - 0 0 0 -2,-0.3 3,-0.4 49,-0.3 49,-0.3 -0.491 35.1-135.9 -70.9 137.1 11.8 17.1 17.3 41 56 A A S > S+ 0 0 0 1,-0.2 3,-0.5 -2,-0.2 -1,-0.1 0.624 98.4 60.8 -70.1 -19.4 11.2 13.4 16.5 42 57 A H T 3 S+ 0 0 23 1,-0.2 -1,-0.2 43,-0.1 4,-0.2 0.891 90.6 69.9 -76.7 -33.4 10.5 13.7 12.8 43 58 A b T > S+ 0 0 2 -3,-0.4 2,-1.4 1,-0.3 3,-1.3 0.701 78.6 84.6 -51.3 -21.8 14.0 15.1 12.3 44 59 A L T < S+ 0 0 23 -3,-0.5 -1,-0.3 -4,-0.3 -3,-0.1 -0.166 87.5 50.7 -78.5 44.7 15.1 11.6 13.1 45 60 A Y T 3 S+ 0 0 128 -2,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.356 82.3 82.6-152.1 -13.7 14.7 10.6 9.4 46 61 A Q S < S+ 0 0 99 -3,-1.3 2,-0.2 -4,-0.2 -2,-0.1 0.002 95.1 46.4 -89.0 28.8 16.5 13.2 7.3 47 61AA A - 0 0 33 1,-0.1 3,-0.2 -27,-0.1 -1,-0.1 -0.805 58.1-152.4-173.8 129.0 19.8 11.4 7.9 48 62 A K S S+ 0 0 191 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.813 100.5 2.9 -68.4 -31.4 21.3 7.9 7.7 49 63 A R S S+ 0 0 124 -3,-0.1 -28,-0.6 2,-0.0 -1,-0.3 -0.946 77.3 171.3-158.0 135.0 23.8 9.2 10.3 50 64 A F E -K 20 0C 35 -2,-0.3 21,-0.6 -3,-0.2 2,-0.3 -0.866 18.4-148.4-140.7 173.2 24.2 12.6 12.0 51 65 A K E -KN 19 70C 55 -32,-2.0 -32,-3.1 -2,-0.3 2,-0.6 -0.958 23.5-120.7-140.5 153.7 26.0 14.5 14.8 52 66 A V E -KN 18 69C 0 17,-2.3 17,-2.1 -2,-0.3 2,-0.5 -0.889 24.2-162.2-104.4 117.2 24.9 17.3 17.0 53 67 A R E -KN 17 68C 27 -36,-4.3 -36,-2.7 -2,-0.6 2,-0.3 -0.852 12.4-179.4 -99.9 128.6 27.0 20.5 16.8 54 68 A V E +K 16 0C 2 13,-2.6 13,-0.2 -2,-0.5 -38,-0.1 -0.789 54.9 35.9-122.0 167.2 26.7 23.0 19.6 55 69 A G S S+ 0 0 9 -40,-0.6 2,-0.5 -2,-0.3 -1,-0.2 0.760 80.7 129.3 64.9 28.8 28.3 26.4 20.3 56 70 A D + 0 0 19 -3,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.960 22.9 162.8-120.1 123.4 28.2 27.5 16.6 57 71 A R S S+ 0 0 55 -2,-0.5 86,-3.1 1,-0.3 2,-0.4 0.665 72.4 33.2-108.9 -23.1 26.7 30.8 15.5 58 72 A N B > S-P 142 0D 6 84,-0.2 2,-1.3 3,-0.0 3,-0.9 -0.873 71.8-143.5-140.8 104.9 28.1 31.3 12.1 59 73 A T T 3 S+ 0 0 44 82,-2.6 83,-0.0 -2,-0.4 -3,-0.0 -0.532 89.4 29.7 -70.3 93.3 28.8 28.4 9.8 60 74 A E T 3 S+ 0 0 108 -2,-1.3 -1,-0.2 81,-0.0 2,-0.1 -0.030 103.3 65.9 152.2 -38.9 32.0 29.5 8.0 61 75 A Q S < S- 0 0 111 -3,-0.9 -2,-0.1 0, 0.0 -3,-0.0 -0.255 88.6-127.5-110.4 47.2 34.1 31.8 10.2 62 76 A E - 0 0 140 1,-0.2 -3,-0.1 2,-0.1 -6,-0.1 0.588 20.7-166.6 7.4 89.2 35.1 29.4 13.0 63 77 A E - 0 0 68 -5,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.626 32.1-131.1 -68.0 -13.0 34.2 31.2 16.2 64 78 A G S S+ 0 0 51 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.137 92.2 86.1 89.6 -40.4 36.3 28.6 18.1 65 79 A G + 0 0 21 -2,-0.4 -1,-0.1 -10,-0.1 36,-0.1 0.376 65.6 112.1 -76.3 6.8 33.6 27.9 20.7 66 80 A E + 0 0 15 -13,-0.0 -11,-0.2 2,-0.0 2,-0.2 0.218 41.8 177.5 -61.7-165.5 32.1 25.3 18.4 67 81 A A - 0 0 26 -13,-0.2 -13,-2.6 31,-0.0 2,-0.4 -0.472 18.3-143.1 158.4 129.6 32.1 21.5 19.2 68 82 A V E -N 53 0C 72 -15,-0.2 2,-0.4 -2,-0.2 -15,-0.2 -0.921 14.9-171.1-114.8 133.2 30.7 18.4 17.6 69 83 A H E -N 52 0C 16 -17,-2.1 -17,-2.3 -2,-0.4 2,-0.5 -0.956 18.9-132.8-124.3 140.6 29.3 15.3 19.5 70 84 A E E -N 51 0C 82 -2,-0.4 25,-1.8 -19,-0.2 26,-0.3 -0.766 31.8-112.9 -91.6 132.9 28.3 11.9 18.2 71 85 A V E -O 94 0C 29 -21,-0.6 23,-0.3 -2,-0.5 3,-0.1 -0.370 22.5-163.4 -62.1 136.7 25.0 10.7 19.4 72 86 A E E S- 0 0 97 21,-5.1 2,-0.3 1,-0.4 22,-0.2 0.927 73.6 -12.8 -84.4 -56.6 25.3 7.6 21.7 73 87 A V E -O 93 0C 61 20,-0.9 20,-2.1 2,-0.0 2,-0.5 -0.983 65.0-137.7-144.0 148.0 21.7 6.5 21.5 74 88 A V E -O 92 0C 74 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.941 9.1-158.4-113.5 131.7 18.6 8.2 20.1 75 89 A I E -O 91 0C 10 16,-1.8 16,-2.5 -2,-0.5 2,-0.3 -0.914 12.4-172.7-111.0 104.2 15.3 7.9 22.0 76 90 A K E -O 90 0C 76 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.698 34.8-101.4 -94.7 149.1 12.3 8.6 19.7 77 91 A H > - 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