==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-00 1EZQ . COMPND 2 MOLECULE: COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU,S.POUZIEUX,Y.M.CHOI-SLEDESKI, . 285 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 60.4 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 . 82 28.8 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 1.1 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 . 19 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.0 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 1 0 0 2 0 1 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 3 3 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,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 126.4 10.9 13.9 32.2 2 17 A V B -A 179 0A 6 177,-1.9 177,-0.8 1,-0.2 132,-0.1 -0.836 360.0 -6.9-103.2 138.7 8.9 12.0 34.8 3 18 A G S S+ 0 0 33 130,-0.6 -1,-0.2 -2,-0.4 130,-0.1 0.731 102.4 133.1 51.1 27.3 9.7 12.3 38.5 4 19 A G - 0 0 16 -3,-0.2 2,-0.3 175,-0.1 142,-0.2 0.415 53.4-105.6 -82.5-139.8 12.9 14.2 37.7 5 20 A Q E -B 145 0B 123 140,-1.2 140,-3.0 -3,-0.0 2,-0.2 -0.969 34.6 -94.0-148.9 155.2 14.5 17.3 39.1 6 21 A E E -B 144 0B 74 -2,-0.3 2,-0.6 138,-0.2 138,-0.3 -0.509 38.2-119.6 -73.3 138.8 14.8 20.9 37.9 7 22 A a - 0 0 1 136,-2.3 136,-0.1 -2,-0.2 3,-0.1 -0.722 36.1-142.2 -76.0 122.2 18.0 21.6 36.0 8 23 A K > - 0 0 102 -2,-0.6 3,-2.8 1,-0.2 4,-0.5 -0.407 43.3 -52.4 -82.8 167.0 19.5 24.3 38.2 9 24 A D T 3 S- 0 0 85 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.089 126.0 -5.3 -41.8 114.5 21.4 27.2 36.7 10 25 A G T 3 S+ 0 0 1 -3,-0.1 274,-1.1 2,-0.1 -1,-0.3 0.585 100.5 114.5 74.5 11.9 24.2 25.9 34.4 11 26 A E S < S+ 0 0 55 -3,-2.8 -2,-0.1 1,-0.2 3,-0.1 0.835 84.3 27.9 -81.6 -35.9 23.6 22.3 35.2 12 27 A a S > S+ 0 0 10 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.380 71.1 149.6-125.1 57.5 22.4 21.1 31.8 13 28 A P T 3 + 0 0 1 0, 0.0 92,-1.7 0, 0.0 42,-0.2 0.575 66.6 64.1 -66.0 -12.8 24.1 23.6 29.4 14 29 A W T 3 S+ 0 0 9 90,-0.2 17,-2.8 -3,-0.1 2,-0.4 0.441 78.0 114.2 -92.2 0.6 24.4 21.1 26.5 15 30 A Q E < -J 30 0C 8 -3,-1.6 40,-0.6 15,-0.2 41,-0.3 -0.579 42.4-179.6 -77.8 126.9 20.6 20.9 26.2 16 31 A A E -JK 29 54C 0 13,-2.1 13,-1.1 -2,-0.4 2,-0.4 -0.779 14.0-145.8-119.0 164.4 19.0 22.3 23.0 17 32 A L E -JK 28 53C 5 36,-1.7 36,-2.8 -2,-0.3 2,-0.5 -0.989 6.8-141.8-139.6 127.2 15.3 22.5 22.1 18 33 A L E -JK 27 52C 0 9,-2.6 8,-2.6 -2,-0.4 9,-1.0 -0.780 25.8-170.0 -87.4 125.3 13.8 22.1 18.7 19 34 A I E -JK 25 51C 2 32,-2.2 32,-2.1 -2,-0.5 6,-0.2 -0.927 13.1-136.5-119.3 141.9 10.9 24.6 18.3 20 35 A N E > - K 0 50C 38 4,-2.3 3,-3.1 -2,-0.4 30,-0.2 -0.308 43.5 -85.5 -86.3 176.5 8.3 24.7 15.5 21 36 A E T 3 S+ 0 0 115 28,-0.6 29,-0.1 1,-0.3 -1,-0.1 0.739 130.9 62.1 -54.2 -25.0 7.1 27.9 13.8 22 37 A E T 3 S- 0 0 147 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.383 117.2-117.6 -82.4 4.6 4.6 28.2 16.6 23 38 A N < + 0 0 108 -3,-3.1 2,-0.4 1,-0.2 -2,-0.2 0.689 70.0 139.7 66.8 20.1 7.6 28.5 19.0 24 39 A E - 0 0 105 -4,-0.1 -4,-2.3 2,-0.0 -1,-0.2 -0.813 54.0-125.2 -97.1 132.3 6.5 25.3 20.8 25 40 A G E +J 19 0C 16 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.547 35.9 164.9 -74.7 140.5 9.3 22.9 21.7 26 41 A F E + 0 0 16 -8,-2.6 2,-0.3 1,-0.4 157,-0.3 0.470 59.8 17.0-133.1 -8.7 8.7 19.4 20.4 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-2.6 157,-0.1 -1,-0.4 -0.984 65.7-123.9-159.2 161.6 12.1 17.6 20.8 28 43 A G E -J 17 0C 2 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.424 22.7-177.3-101.5-179.6 15.4 17.8 22.6 29 44 A G E -J 16 0C 0 -13,-1.1 -13,-2.1 -2,-0.1 2,-0.4 -0.956 22.0-120.8-166.9 168.7 19.0 17.9 21.2 30 45 A T E -JL 15 38C 0 8,-2.3 8,-3.3 -2,-0.3 2,-0.5 -0.991 23.2-124.3-127.2 133.5 22.5 18.0 22.5 31 46 A I E + L 0 37C 0 -17,-2.8 76,-2.2 -2,-0.4 6,-0.2 -0.649 30.6 173.7 -76.6 121.2 25.1 20.7 21.7 32 47 A L - 0 0 13 4,-2.9 2,-0.3 -2,-0.5 5,-0.2 0.713 64.2 -33.1 -98.1 -29.7 28.1 19.0 20.2 33 48 A S S S- 0 0 28 3,-1.2 -1,-0.3 72,-0.1 65,-0.1 -0.898 84.1 -63.2-168.8-167.9 30.1 22.1 19.2 34 49 A E S S+ 0 0 102 -2,-0.3 64,-2.1 1,-0.2 62,-0.1 0.857 133.0 27.0 -65.6 -32.8 29.5 25.7 18.1 35 50 A F S S+ 0 0 45 62,-0.2 59,-3.2 58,-0.1 2,-0.4 0.632 109.5 74.1-105.6 -15.2 27.9 24.5 14.8 36 51 A Y E - M 0 93C 11 57,-0.2 -4,-2.9 62,-0.1 -3,-1.2 -0.862 46.0-172.3-116.7 140.2 26.4 21.0 15.5 37 52 A I E -LM 31 92C 0 55,-2.5 55,-3.1 -2,-0.4 2,-0.5 -0.952 17.1-144.2-119.0 135.0 23.4 19.7 17.4 38 53 A L E +LM 30 91C 0 -8,-3.3 -8,-2.3 -2,-0.4 2,-0.3 -0.872 34.9 151.0-100.6 131.2 22.8 16.0 18.0 39 54 A T E - M 0 90C 0 51,-2.7 51,-2.4 -2,-0.5 2,-0.3 -0.857 47.4 -78.0-146.9 179.9 19.2 14.8 17.9 40 55 A A > - 0 0 0 -12,-0.4 3,-1.0 -2,-0.3 4,-0.4 -0.651 30.4-137.4 -85.6 143.5 16.9 11.9 17.1 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.823 102.3 60.6 -69.0 -30.9 16.2 11.2 13.5 42 57 A H G > S+ 0 0 26 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.596 90.1 70.4 -73.9 -9.4 12.5 10.6 14.2 43 58 A b G X S+ 0 0 0 -3,-1.0 3,-1.4 1,-0.2 -1,-0.2 0.768 81.9 73.3 -75.8 -25.2 12.1 14.1 15.4 44 59 A L G < S+ 0 0 34 -3,-1.0 -1,-0.2 -4,-0.4 3,-0.2 0.386 90.5 60.3 -70.2 5.6 12.5 15.5 11.9 45 60 A Y G < S+ 0 0 108 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.598 87.3 70.5-106.1 -16.9 9.0 14.2 11.1 46 61 A Q S < S+ 0 0 96 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.1 0.104 105.1 32.9 -89.0 21.3 7.1 16.3 13.7 47 61AA A - 0 0 29 -3,-0.2 3,-0.2 1,-0.1 -1,-0.1 -0.914 54.2-150.5-173.7 146.3 7.7 19.6 11.8 48 62 A K S S+ 0 0 203 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.671 97.1 13.4 -92.0 -23.3 8.1 21.1 8.3 49 63 A R S S+ 0 0 137 2,-0.0 -28,-0.6 0, 0.0 -1,-0.4 -0.911 76.4 165.8-155.8 124.0 10.3 23.9 9.5 50 64 A F E -K 20 0C 30 -2,-0.3 21,-0.5 -3,-0.2 2,-0.3 -0.927 17.6-154.9-139.4 163.1 12.1 24.1 12.9 51 65 A K E -K 19 0C 68 -32,-2.1 -32,-2.2 -2,-0.3 2,-0.4 -0.810 22.3-114.5-130.1 172.0 14.8 26.0 14.7 52 66 A V E -KN 18 69C 0 17,-3.0 17,-3.6 -2,-0.3 2,-0.5 -0.933 21.3-163.9-115.5 133.9 17.0 25.3 17.7 53 67 A R E +KN 17 68C 24 -36,-2.8 -36,-1.7 -2,-0.4 2,-0.3 -0.968 10.4 179.2-119.1 129.2 17.0 27.1 21.0 54 68 A V E +KN 16 67C 1 13,-2.7 13,-2.0 -2,-0.5 -38,-0.1 -0.801 59.4 40.6-122.2 163.6 19.8 26.9 23.5 55 69 A G S S+ 0 0 8 -40,-0.6 2,-0.4 48,-0.6 11,-0.2 0.627 82.4 137.5 74.9 13.0 20.3 28.5 27.0 56 70 A D + 0 0 8 -41,-0.3 -1,-0.3 -3,-0.2 3,-0.1 -0.755 17.5 149.7 -98.6 138.7 16.7 27.9 27.8 57 71 A R S S+ 0 0 54 -2,-0.4 86,-2.1 1,-0.2 2,-0.3 0.460 73.7 38.3-135.5 -19.6 15.5 26.6 31.2 58 72 A N B > -P 142 0D 18 84,-0.2 3,-1.6 3,-0.1 84,-0.2 -0.844 53.5-168.6-142.1 101.0 12.0 28.2 31.5 59 73 A T T 3 S+ 0 0 56 82,-2.0 83,-0.1 -2,-0.3 -1,-0.1 0.609 85.1 75.8 -62.8 -9.3 9.8 28.6 28.5 60 74 A E T 3 S- 0 0 122 81,-0.4 -1,-0.3 -3,-0.0 2,-0.2 0.783 109.6 -3.0 -72.9 -31.6 7.7 30.8 30.7 61 75 A Q S < S- 0 0 123 -3,-1.6 2,-0.3 0, 0.0 -3,-0.1 -0.451 76.0 -96.6-136.0-150.9 10.0 33.8 30.5 62 76 A E + 0 0 163 -2,-0.2 -3,-0.1 1,-0.1 -6,-0.1 -0.911 23.8 177.9-146.1 112.2 13.3 35.0 29.1 63 77 A E - 0 0 148 -2,-0.3 -1,-0.1 -8,-0.2 -7,-0.1 0.775 47.3-119.8 -84.6 -29.5 16.5 34.9 31.2 64 78 A G S S+ 0 0 56 -9,-0.1 -8,-0.1 0, 0.0 -1,-0.0 -0.175 95.5 89.8 120.1 -42.6 18.7 36.2 28.4 65 79 A G + 0 0 8 -10,-0.2 -9,-0.1 2,-0.0 -11,-0.1 0.616 68.6 110.2 -63.9 -9.2 21.2 33.5 27.9 66 80 A E - 0 0 35 -11,-0.2 2,-0.3 -13,-0.1 -11,-0.2 -0.252 45.3-179.5 -67.0 153.6 18.8 32.0 25.4 67 81 A A E -N 54 0C 35 -13,-2.0 -13,-2.7 2,-0.0 2,-0.4 -0.938 18.7-145.9-158.2 130.8 19.5 32.0 21.7 68 82 A V E -N 53 0C 76 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.808 19.0-163.4 -99.0 139.6 17.5 30.7 18.8 69 83 A H E -N 52 0C 14 -17,-3.6 -17,-3.0 -2,-0.4 2,-0.1 -0.990 13.0-135.3-131.7 129.4 19.5 29.2 15.9 70 84 A E - 0 0 81 -2,-0.4 25,-2.4 -19,-0.2 2,-0.5 -0.461 28.8-114.5 -77.5 151.5 18.3 28.6 12.4 71 85 A V E +O 94 0C 28 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.773 29.4 178.9 -93.8 126.8 19.3 25.2 10.8 72 86 A E E S+ 0 0 102 21,-2.7 2,-0.4 -2,-0.5 22,-0.2 0.916 73.0 3.8 -87.6 -55.7 21.6 25.2 7.8 73 87 A V E -O 93 0C 64 20,-1.7 20,-3.7 2,-0.0 2,-0.5 -0.993 58.7-155.7-136.1 140.8 21.8 21.5 7.2 74 88 A V E -O 92 0C 69 -2,-0.4 2,-0.8 18,-0.2 18,-0.2 -0.974 8.6-160.4-116.8 121.1 20.1 18.5 8.7 75 89 A I E -O 91 0C 39 16,-4.0 16,-2.9 -2,-0.5 2,-0.3 -0.850 11.8-174.0-105.7 97.5 22.0 15.2 8.5 76 90 A K E -O 90 0C 92 -2,-0.8 2,-0.2 14,-0.3 14,-0.2 -0.656 36.7 -97.1 -87.6 145.4 19.5 12.3 9.0 77 91 A H > - 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