==== 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/HYDROLASE INHIBITOR 22-APR-98 1FXY . COMPND 2 MOLECULE: COAGULATION FACTOR XA-TRYPSIN CHIMERA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.HOPFNER,E.KOPETZKI,G.-B.KRESSE,R.HUBER,W.BODE,R.A.ENGH . 229 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 2 1 5 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 . 0 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 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 126.4 8.9 5.1 7.3 2 17 A V B +A 175 0A 7 173,-3.4 173,-1.1 1,-0.2 127,-0.1 -0.860 360.0 2.7-102.2 130.0 9.8 6.5 3.9 3 18 A G S S+ 0 0 47 125,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.815 99.8 128.7 69.6 31.6 8.5 4.8 0.8 4 19 A G - 0 0 29 -3,-0.4 2,-0.3 138,-0.1 138,-0.2 -0.105 51.2-119.4 -99.9-159.6 6.4 2.3 2.6 5 20 A Y E -B 141 0B 70 136,-2.0 136,-2.6 -2,-0.1 2,-0.6 -0.948 37.8 -81.5-142.0 159.9 2.8 1.1 2.4 6 21 A N E -B 140 0B 85 -2,-0.3 134,-0.2 134,-0.2 133,-0.1 -0.519 56.7-114.5 -65.9 110.7 -0.2 1.0 4.8 7 22 A a - 0 0 22 132,-1.9 2,-0.1 -2,-0.6 3,-0.1 -0.086 32.8-113.1 -44.6 141.9 0.4 -2.1 6.9 8 23 A K > - 0 0 134 1,-0.1 3,-2.1 -3,-0.1 4,-0.3 -0.468 46.5 -76.5 -78.4 154.6 -2.3 -4.6 6.2 9 24 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 47,-0.0 -0.218 117.6 5.5 -51.3 134.1 -4.8 -5.5 9.0 10 25 A G T 3 S+ 0 0 34 93,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.618 93.2 120.4 65.8 15.0 -3.2 -7.7 11.6 11 26 A E S < S+ 0 0 58 -3,-2.1 -2,-0.1 1,-0.2 3,-0.1 0.804 80.1 31.0 -79.5 -30.3 0.3 -7.6 10.0 12 27 A V > + 0 0 14 -4,-0.3 3,-1.7 1,-0.1 -1,-0.2 -0.545 64.0 160.1-129.2 69.6 2.1 -6.1 13.0 13 28 A P T 3 S+ 0 0 19 0, 0.0 92,-0.4 0, 0.0 42,-0.2 0.746 75.1 57.9 -60.7 -24.5 0.4 -7.3 16.2 14 29 A W T 3 S+ 0 0 45 90,-0.2 17,-2.7 -3,-0.1 93,-0.2 0.378 78.2 123.7 -89.0 2.2 3.4 -6.5 18.3 15 30 A Q E < -I 30 0C 14 -3,-1.7 40,-0.5 15,-0.2 2,-0.3 -0.439 35.9-178.2 -71.2 135.2 3.6 -2.8 17.4 16 31 A A E -IJ 29 54C 1 13,-2.3 13,-1.4 -2,-0.2 2,-0.4 -0.934 12.7-150.2-130.0 152.9 3.5 -0.3 20.2 17 32 A L E -IJ 28 53C 10 36,-2.1 36,-2.9 -2,-0.3 2,-0.5 -0.991 7.5-144.0-128.8 129.7 3.5 3.6 20.1 18 33 A L E -IJ 27 52C 0 9,-3.0 8,-2.2 -2,-0.4 9,-1.0 -0.804 20.7-166.0 -92.6 129.6 4.9 5.9 22.7 19 34 A I E -IJ 25 51C 14 32,-2.1 32,-1.8 -2,-0.5 6,-0.2 -0.953 6.6-143.2-120.6 137.2 2.8 9.1 23.1 20 35 A N > - 0 0 42 4,-2.5 3,-1.5 -2,-0.4 30,-0.2 0.035 43.8 -75.6 -81.7-167.6 3.9 12.3 24.9 21 36 A E T 3 S+ 0 0 128 28,-0.4 29,-0.1 1,-0.3 -1,-0.0 0.876 130.3 56.3 -58.7 -41.2 1.9 14.8 27.1 22 37 A E T 3 S- 0 0 156 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.187 118.4-110.8 -79.3 18.3 0.2 16.3 24.0 23 38 A N S < S+ 0 0 125 -3,-1.5 2,-0.4 1,-0.2 -2,-0.1 0.787 75.1 138.1 57.7 29.0 -1.1 12.8 23.0 24 39 A E - 0 0 125 2,-0.0 -4,-2.5 0, 0.0 2,-0.3 -0.852 57.1-117.2-107.7 141.9 1.3 12.8 20.0 25 40 A G E +I 19 0C 39 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.592 39.5 160.5 -78.1 133.3 3.3 9.8 18.9 26 41 A F E + 0 0 21 -8,-2.2 2,-0.3 1,-0.4 153,-0.3 0.492 61.2 14.5-128.5 -10.2 7.1 10.3 19.1 27 42 A b E -I 18 0C 0 -9,-1.0 -9,-3.0 153,-0.1 -1,-0.4 -0.989 65.2-123.6-161.6 158.7 8.5 6.8 19.1 28 43 A G E -I 17 0C 2 153,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.321 22.5-171.3 -97.4-176.0 7.7 3.2 18.4 29 44 A G E -I 16 0C 0 -13,-1.4 -13,-2.3 10,-0.1 2,-0.4 -0.973 18.3-128.1-167.3 165.8 7.9 0.1 20.6 30 45 A T E -IK 15 38C 0 8,-2.4 8,-3.1 -2,-0.3 2,-0.4 -0.993 23.1-126.5-128.3 130.9 7.6 -3.7 20.5 31 46 A I E + K 0 37C 0 -17,-2.7 76,-2.7 -2,-0.4 6,-0.2 -0.627 31.0 170.0 -75.9 129.1 5.5 -5.8 22.8 32 47 A L - 0 0 22 4,-2.6 2,-0.3 1,-0.5 5,-0.2 0.699 66.3 -22.9-107.1 -34.1 7.6 -8.5 24.4 33 48 A S S S- 0 0 38 3,-1.6 -1,-0.5 72,-0.1 65,-0.1 -0.893 83.9 -71.7-161.0-175.8 5.1 -9.7 27.0 34 49 A E S S+ 0 0 96 -2,-0.3 64,-2.4 1,-0.2 62,-0.0 0.788 131.5 24.5 -62.2 -29.3 2.0 -8.6 28.8 35 50 A F S S+ 0 0 43 62,-0.2 59,-2.6 58,-0.1 2,-0.4 0.598 111.8 77.6-110.9 -16.1 4.0 -6.2 31.0 36 51 A Y E - L 0 93C 5 57,-0.2 -4,-2.6 62,-0.1 -3,-1.6 -0.847 47.1-177.6-112.1 137.8 7.1 -5.4 28.9 37 52 A I E -KL 31 92C 0 55,-1.9 55,-2.9 -2,-0.4 2,-0.4 -0.970 16.8-144.4-125.6 136.8 7.7 -3.2 25.9 38 53 A L E +KL 30 91C 0 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.2 -0.857 34.2 144.0-102.7 135.5 11.0 -2.9 24.0 39 54 A T E - L 0 90C 0 51,-2.5 51,-2.4 -2,-0.4 2,-0.3 -0.835 50.3 -69.4-151.9-172.6 12.1 0.5 22.6 40 55 A A > - 0 0 0 -12,-0.4 3,-1.3 49,-0.2 4,-0.5 -0.730 30.0-137.2 -92.6 139.0 15.1 2.7 22.0 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 4,-0.4 0.862 102.9 62.6 -60.6 -36.3 17.0 4.3 24.9 42 57 A H G 3 S+ 0 0 0 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.655 92.3 64.7 -66.2 -14.5 17.2 7.6 23.0 43 58 A b G X S+ 0 0 0 -3,-1.3 3,-1.4 1,-0.2 -1,-0.3 0.736 86.9 73.6 -76.7 -24.9 13.4 7.9 22.9 44 59 A L T < S+ 0 0 25 -3,-1.4 3,-0.4 -4,-0.5 -1,-0.2 0.781 99.7 41.9 -61.2 -29.5 13.5 8.2 26.7 45 60 A Y T 3 S+ 0 0 88 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.316 95.4 79.5-102.1 10.1 14.9 11.8 26.6 46 61 A Q S < S+ 0 0 79 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.330 104.4 24.0 -95.3 6.2 12.6 12.9 23.7 47 61AA A - 0 0 20 -3,-0.4 -1,-0.2 1,-0.1 3,-0.1 -0.927 62.3-142.7-168.1 142.8 9.7 13.4 26.2 48 62 A K S S+ 0 0 173 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.989 89.7 12.8 -72.2 -63.4 9.1 14.0 29.9 49 63 A R S S+ 0 0 181 2,-0.0 -28,-0.4 0, 0.0 2,-0.3 -0.879 74.8 161.1-116.6 148.2 6.0 11.9 30.4 50 64 A F - 0 0 32 -2,-0.3 21,-0.6 -30,-0.2 2,-0.2 -0.992 22.4-151.8-161.1 162.5 4.5 9.3 28.1 51 65 A K E -JM 19 70C 89 -32,-1.8 -32,-2.1 -2,-0.3 2,-0.4 -0.742 25.3-113.7-128.1 175.8 2.2 6.3 27.8 52 66 A V E -JM 18 69C 0 17,-2.9 17,-3.6 -2,-0.2 2,-0.5 -0.963 21.1-160.8-120.6 133.2 2.1 3.3 25.5 53 67 A R E +JM 17 68C 47 -36,-2.9 -36,-2.1 -2,-0.4 2,-0.3 -0.945 15.5 167.8-115.8 130.1 -0.6 2.6 22.9 54 68 A V E +JM 16 67C 3 13,-2.4 13,-2.9 -2,-0.5 -38,-0.1 -0.828 37.4 43.9-129.6 169.1 -1.2 -0.8 21.4 55 69 A G E - M 0 66C 22 -40,-0.5 11,-0.3 -2,-0.3 2,-0.3 -0.413 66.8-110.7 93.6-171.0 -4.0 -2.3 19.4 56 70 A D - 0 0 27 9,-0.9 9,-0.2 -2,-0.1 -2,-0.0 -0.935 15.2-117.9-155.9 171.3 -5.9 -0.9 16.4 57 71 A R S S+ 0 0 207 -2,-0.3 2,-1.8 8,-0.2 3,-0.1 0.257 74.3 114.5-102.5 10.4 -9.4 0.3 15.5 58 72 A N >> + 0 0 57 1,-0.2 4,-1.2 7,-0.1 3,-0.5 -0.560 30.3 162.0 -84.2 78.4 -10.2 -2.4 12.9 59 73 A T T 34 + 0 0 82 -2,-1.8 -1,-0.2 1,-0.2 4,-0.0 0.579 57.6 82.1 -73.8 -11.1 -13.0 -4.0 14.7 60 74 A E T 34 S+ 0 0 180 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.954 104.7 28.1 -58.7 -51.5 -14.2 -5.7 11.5 61 75 A Q T <4 S- 0 0 133 -3,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.820 141.3 -2.6 -80.1 -33.2 -11.6 -8.5 11.8 62 76 A E < - 0 0 50 -4,-1.2 3,-0.4 41,-0.0 -1,-0.3 -0.945 66.9-128.5-163.0 139.0 -11.4 -8.4 15.6 63 77 A E + 0 0 162 -2,-0.3 -5,-0.1 1,-0.2 -6,-0.0 -0.515 68.4 84.4 -88.2 155.0 -12.8 -6.4 18.5 64 78 A G - 0 0 61 -2,-0.2 -1,-0.2 -7,-0.1 -7,-0.1 -0.115 63.0-155.6 147.9 -42.0 -10.8 -4.8 21.2 65 79 A G - 0 0 20 -3,-0.4 -9,-0.9 -9,-0.2 2,-0.3 -0.255 43.3 -32.7 72.8-161.4 -9.6 -1.4 19.9 66 80 A E E -M 55 0C 94 -11,-0.3 2,-0.4 -9,-0.1 -11,-0.3 -0.719 55.1-155.1 -95.9 147.6 -6.6 0.5 21.0 67 81 A A E -M 54 0C 31 -13,-2.9 -13,-2.4 -2,-0.3 2,-0.5 -0.989 2.9-151.5-128.1 130.2 -5.4 0.4 24.6 68 82 A V E -M 53 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.875 17.3-166.7-102.2 129.1 -3.3 3.1 26.3 69 83 A H E -M 52 0C 11 -17,-3.6 -17,-2.9 -2,-0.5 2,-0.3 -0.898 16.5-130.1-119.0 146.2 -1.0 1.9 29.1 70 84 A E E -M 51 0C 94 -2,-0.4 25,-2.4 -19,-0.2 2,-0.6 -0.650 25.8-121.9 -89.9 147.0 0.8 3.8 31.8 71 85 A V E +N 94 0C 28 -21,-0.6 23,-0.3 -2,-0.3 3,-0.1 -0.814 27.6 178.7 -94.2 122.1 4.5 3.1 32.3 72 86 A E E + 0 0 108 21,-3.0 2,-0.4 -2,-0.6 22,-0.2 0.915 69.8 17.2 -85.1 -50.3 5.4 2.0 35.8 73 87 A V E -N 93 0C 52 20,-1.7 20,-2.8 2,-0.0 2,-0.6 -0.992 61.3-156.3-130.9 133.8 9.2 1.4 35.4 74 88 A V E -N 92 0C 68 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.940 10.6-172.5-108.7 121.4 11.6 2.6 32.8 75 89 A I E -N 91 0C 27 16,-2.8 16,-2.9 -2,-0.6 2,-0.2 -0.852 5.2-174.7-120.3 95.9 14.8 0.5 32.4 76 90 A K E -N 90 0C 97 -2,-0.6 2,-0.6 14,-0.2 14,-0.2 -0.607 38.7-101.3 -86.9 144.3 17.3 2.1 30.1 77 91 A H > - 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