==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-JUN-12 4FH8 . COMPND 2 MOLECULE: ACEPRX-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ANCYLOSTOMA CEYLANICUM; . AUTHOR J.B.NGUYEN,Y.MODIS . 1694 10 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1187 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 310 18.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 . 103 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 208 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.8 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 10 10 0 20 0 0 0 0 0 0 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 10 0 0 10 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 . 10 20 0 10 5 20 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 . 10 0 0 0 0 0 0 0 0 0 0 0 5 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 0 A H 0 0 125 0, 0.0 2,-0.3 0, 0.0 112,-0.0 0.000 360.0 360.0 360.0 139.3 5.6 21.2 50.3 2 1 A M - 0 0 148 1,-0.1 113,-0.1 111,-0.0 110,-0.0 -0.879 360.0 -83.6-129.4 160.4 4.5 24.7 49.4 3 2 A S - 0 0 46 -2,-0.3 111,-0.2 1,-0.1 110,-0.2 -0.181 22.4-170.1 -57.5 143.2 3.5 28.0 51.0 4 3 A K + 0 0 115 109,-3.2 2,-0.7 108,-0.1 110,-0.2 0.194 54.0 113.0-114.4 9.6 -0.1 28.5 52.1 5 4 A A + 0 0 8 108,-0.5 2,-0.4 6,-0.1 6,-0.1 -0.768 36.6 159.3 -93.0 112.2 0.4 32.2 52.8 6 5 A F > - 0 0 121 -2,-0.7 3,-1.9 4,-0.2 131,-0.4 -0.999 43.6-109.1-135.1 132.6 -1.5 34.5 50.4 7 6 A I T 3 S+ 0 0 13 -2,-0.4 131,-0.2 1,-0.3 308,-0.1 -0.306 105.4 16.8 -55.8 136.2 -2.5 38.2 50.9 8 7 A G T 3 S+ 0 0 34 129,-2.8 -1,-0.3 1,-0.3 130,-0.1 0.461 108.7 100.5 79.2 0.9 -6.3 38.6 51.4 9 8 A K S < S- 0 0 125 -3,-1.9 128,-2.6 128,-0.2 -1,-0.3 -0.808 91.1 -77.6-112.9 155.8 -6.7 34.9 52.2 10 9 A P B -A 136 0A 94 0, 0.0 126,-0.3 0, 0.0 -4,-0.2 -0.315 56.8-111.1 -51.2 127.9 -7.0 33.3 55.6 11 10 A A - 0 0 7 124,-3.5 -6,-0.1 1,-0.1 103,-0.1 -0.359 45.6 -85.1 -60.6 140.4 -3.5 33.1 57.2 12 11 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.252 50.6-118.2 -51.1 128.0 -2.2 29.6 57.5 13 12 A D - 0 0 112 -3,-0.1 2,-0.3 16,-0.0 100,-0.1 -0.364 36.2-173.4 -66.9 146.3 -3.5 28.1 60.7 14 13 A F + 0 0 8 -2,-0.1 15,-2.0 2,-0.0 2,-0.3 -0.995 18.9 177.5-143.3 151.1 -0.9 27.1 63.4 15 14 A A E +B 28 0B 73 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.896 26.9 134.2-151.0 119.3 -0.9 25.3 66.7 16 15 A T E -B 27 0B 30 11,-2.0 11,-2.7 -2,-0.3 2,-0.3 -0.932 53.0 -82.9-153.7 174.6 2.4 24.6 68.6 17 16 A K E +B 26 0B 108 87,-0.4 87,-2.9 -2,-0.3 2,-0.3 -0.647 46.4 179.9 -84.6 145.9 4.1 24.8 71.9 18 17 A A E -BC 25 103B 0 7,-3.0 7,-3.0 -2,-0.3 2,-0.5 -0.947 30.4-119.6-139.8 159.7 5.7 28.0 73.1 19 18 A V E +BC 24 102B 2 83,-2.0 83,-2.3 -2,-0.3 2,-0.3 -0.927 37.8 166.6 -97.6 125.6 7.6 29.5 76.0 20 19 A F E > -B 23 0B 90 3,-2.7 3,-1.7 -2,-0.5 79,-0.1 -0.976 67.8 -10.7-139.4 128.7 5.7 32.4 77.7 21 20 A D T 3 S- 0 0 135 77,-0.5 3,-0.1 -2,-0.3 78,-0.1 0.872 129.8 -53.2 51.8 42.9 6.6 33.9 81.1 22 21 A G T 3 S+ 0 0 36 1,-0.2 2,-0.3 76,-0.1 -1,-0.3 0.481 120.1 97.8 77.7 4.9 9.1 31.1 81.7 23 22 A D E < S-B 20 0B 110 -3,-1.7 -3,-2.7 60,-0.0 2,-0.4 -0.868 77.6-106.2-127.5 156.4 6.6 28.3 81.1 24 23 A F E +B 19 0B 71 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.685 45.6 172.5 -80.3 126.6 5.4 26.0 78.3 25 24 A V E -B 18 0B 50 -7,-3.0 -7,-3.0 -2,-0.4 2,-0.4 -0.917 33.5-117.1-130.6 159.2 2.1 27.0 76.8 26 25 A D E -B 17 0B 109 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.838 30.3-165.6 -92.8 132.4 -0.0 26.0 73.8 27 26 A V E +B 16 0B 5 -11,-2.7 -11,-2.0 -2,-0.4 2,-0.3 -0.983 9.2 177.9-122.9 129.0 -0.6 28.7 71.2 28 27 A K E > -B 15 0B 99 -2,-0.4 3,-1.1 -13,-0.2 4,-0.3 -0.959 35.3-129.9-123.2 147.7 -3.2 28.6 68.4 29 28 A L G > S+ 0 0 19 -15,-2.0 3,-2.1 -2,-0.3 -1,-0.1 0.880 109.1 63.7 -58.0 -38.4 -3.9 31.3 65.8 30 29 A S G > S+ 0 0 64 -16,-0.3 3,-1.3 1,-0.3 -1,-0.2 0.702 86.7 72.3 -61.9 -21.5 -7.6 31.1 66.7 31 30 A D G < S+ 0 0 82 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.755 97.3 51.1 -59.2 -26.4 -6.6 32.4 70.2 32 31 A Y G X S+ 0 0 40 -3,-2.1 3,-2.3 -4,-0.3 -1,-0.2 0.265 74.3 139.0-103.7 9.2 -6.0 35.8 68.6 33 32 A K T < S+ 0 0 143 -3,-1.3 101,-0.2 1,-0.3 3,-0.1 -0.318 71.9 29.8 -51.5 130.5 -9.3 36.0 66.7 34 33 A G T 3 S+ 0 0 50 99,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.281 111.8 80.8 97.0 -8.3 -10.5 39.7 67.1 35 34 A K S < S- 0 0 80 -3,-2.3 -1,-0.3 98,-0.2 100,-0.2 -0.919 82.5-108.3-127.9 151.1 -6.9 41.1 67.3 36 35 A Y E -d 69 0B 5 32,-0.8 34,-2.7 -2,-0.3 2,-0.4 -0.579 37.9-157.5 -70.5 142.3 -4.1 42.0 64.9 37 36 A V E -dE 70 131B 3 94,-2.7 94,-2.7 -2,-0.2 2,-0.6 -0.992 13.9-160.5-128.5 129.3 -1.2 39.5 65.1 38 37 A V E -dE 71 130B 0 32,-3.0 34,-3.0 -2,-0.4 2,-0.5 -0.962 13.7-174.0-104.5 119.8 2.4 39.9 64.1 39 38 A L E +dE 72 129B 0 90,-2.4 90,-2.5 -2,-0.6 2,-0.4 -0.980 7.8 179.4-112.9 121.4 4.1 36.6 63.6 40 39 A F E -dE 73 128B 0 32,-3.0 34,-1.2 -2,-0.5 2,-0.3 -0.957 14.1-147.3-127.9 150.1 7.8 36.7 63.0 41 40 A F E -d 74 0B 0 86,-3.1 34,-0.2 -2,-0.4 32,-0.0 -0.808 9.5-172.5-112.9 148.7 10.4 34.1 62.4 42 41 A Y - 0 0 0 32,-2.1 82,-0.5 -2,-0.3 34,-0.4 -0.964 25.9-125.3-136.9 157.2 14.1 33.9 63.3 43 42 A P S S- 0 0 12 0, 0.0 33,-0.5 0, 0.0 81,-0.4 0.931 73.6 -1.2 -71.4 -49.7 16.7 31.3 62.3 44 43 A L > - 0 0 18 79,-0.1 3,-0.7 31,-0.1 2,-0.1 -0.995 53.9-124.4-153.6 135.5 18.3 29.9 65.4 45 44 A D T 3 S+ 0 0 0 -2,-0.3 1568,-0.1 1,-0.2 1569,-0.1 -0.346 95.7 21.3 -63.6 157.3 18.5 29.9 69.2 46 45 A F T 3 S+ 0 0 22 1,-0.2 -1,-0.2 47,-0.1 48,-0.1 0.648 82.4 160.2 56.4 23.6 21.9 30.6 70.8 47 46 A T < - 0 0 30 -3,-0.7 -1,-0.2 1,-0.1 0, 0.0 -0.366 49.3-127.4 -70.6 156.0 23.5 32.2 67.8 48 47 A F S S+ 0 0 144 2,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.534 84.4 101.7 -81.8 -6.9 26.6 34.4 68.2 49 48 A V S S- 0 0 46 1,-0.1 -2,-0.1 294,-0.0 294,-0.1 -0.646 94.1 -98.9 -74.0 130.2 24.8 37.1 66.3 50 49 A C > - 0 0 65 -2,-0.4 3,-0.7 1,-0.2 -1,-0.1 -0.345 27.4-147.9 -53.1 118.7 23.4 39.7 68.7 51 50 A P T >> + 0 0 16 0, 0.0 4,-2.5 0, 0.0 3,-0.6 0.068 63.1 122.1 -80.5 25.1 19.7 38.8 69.2 52 51 A T H 3> + 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.836 67.2 61.6 -54.5 -35.5 18.9 42.5 69.6 53 52 A E H <> S+ 0 0 29 -3,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.891 110.1 37.8 -59.4 -44.2 16.5 42.1 66.6 54 53 A I H <> S+ 0 0 7 -3,-0.6 4,-0.8 2,-0.2 3,-0.5 0.869 115.8 53.8 -73.0 -40.2 14.4 39.6 68.4 55 54 A I H X S+ 0 0 14 -4,-2.5 4,-3.5 1,-0.2 3,-0.5 0.832 98.0 64.7 -64.6 -35.5 14.8 41.4 71.8 56 55 A A H X S+ 0 0 32 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.860 100.5 51.3 -56.9 -39.0 13.5 44.7 70.2 57 56 A F H < S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.775 115.4 42.4 -69.8 -27.5 10.1 43.1 69.6 58 57 A S H >< S+ 0 0 0 -4,-0.8 3,-1.5 -3,-0.5 -2,-0.2 0.922 114.3 48.6 -81.4 -51.2 10.0 42.0 73.3 59 58 A D H 3< S+ 0 0 88 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.828 118.8 41.1 -54.9 -36.7 11.3 45.2 74.8 60 59 A R T >X S+ 0 0 68 -4,-1.8 3,-1.3 -5,-0.3 4,-0.7 0.229 79.8 112.2-102.6 14.5 8.9 47.3 72.7 61 60 A F H X> + 0 0 44 -3,-1.5 4,-2.9 1,-0.3 3,-0.8 0.823 65.1 69.4 -55.7 -36.9 5.9 45.0 73.1 62 61 A P H 3> S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.861 95.8 55.9 -50.3 -35.8 4.0 47.6 75.3 63 62 A E H <> S+ 0 0 78 -3,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.848 110.5 43.9 -64.9 -35.5 3.7 49.7 72.0 64 63 A F H <<>S+ 0 0 0 -3,-0.8 5,-2.4 -4,-0.7 3,-0.4 0.885 112.3 52.2 -73.1 -41.1 2.0 46.7 70.4 65 64 A K H ><5S+ 0 0 150 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.891 103.3 58.7 -61.2 -41.4 -0.2 46.0 73.4 66 65 A N H 3<5S+ 0 0 139 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.4 45.8 -53.1 -37.2 -1.3 49.7 73.4 67 66 A L T 3<5S- 0 0 32 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.309 119.8-112.3 -89.1 6.1 -2.6 49.0 69.8 68 67 A N T < 5 + 0 0 84 -3,-2.0 -32,-0.8 1,-0.2 2,-0.4 0.906 70.0 144.6 59.0 45.6 -4.2 45.8 70.9 69 68 A V E < -d 36 0B 2 -5,-2.4 2,-0.3 -8,-0.2 -1,-0.2 -0.952 43.2-142.4-117.6 131.5 -1.8 43.7 68.8 70 69 A A E -d 37 0B 9 -34,-2.7 -32,-3.0 -2,-0.4 2,-0.4 -0.730 13.8-156.9 -90.3 141.8 -0.3 40.3 69.7 71 70 A V E -d 38 0B 2 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.979 9.2-173.5-122.8 129.9 3.3 39.6 68.8 72 71 A L E -d 39 0B 1 -34,-3.0 -32,-3.0 -2,-0.4 2,-0.3 -0.986 9.5-158.7-128.6 126.4 4.7 36.1 68.3 73 72 A A E -df 40 102B 0 28,-2.3 30,-3.3 -2,-0.4 2,-0.3 -0.728 18.3-178.0 -94.9 152.2 8.3 35.0 67.8 74 73 A C E +df 41 103B 0 -34,-1.2 -32,-2.1 -2,-0.3 2,-0.3 -0.984 12.7 161.8-153.5 138.5 9.0 31.6 66.2 75 74 A S E - f 0 104B 0 28,-1.8 30,-2.4 -2,-0.3 -31,-0.1 -0.938 49.0-107.5-145.1 170.5 11.9 29.4 65.2 76 75 A T S S+ 0 0 11 -33,-0.5 28,-0.1 -34,-0.4 2,-0.1 0.455 86.9 105.0 -80.5 0.0 12.5 25.7 64.4 77 76 A D S S- 0 0 6 26,-0.2 28,-0.6 1,-0.1 -2,-0.3 -0.398 77.9-100.8 -73.8 158.8 14.3 25.2 67.8 78 77 A S > - 0 0 5 26,-0.2 4,-2.4 27,-0.1 -1,-0.1 -0.231 24.4-109.9 -77.1 167.4 12.5 23.4 70.6 79 78 A V H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.826 120.6 56.2 -62.1 -33.0 10.7 24.8 73.6 80 79 A F H > S+ 0 0 46 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 108.3 46.5 -68.5 -41.3 13.5 23.4 75.8 81 80 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 112.1 51.7 -61.8 -47.9 16.0 25.3 73.7 82 81 A H H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.933 110.4 47.7 -53.9 -51.4 13.9 28.5 73.9 83 82 A L H X S+ 0 0 20 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.873 110.9 50.8 -61.4 -40.8 13.6 28.3 77.7 84 83 A A H < S+ 0 0 17 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.852 113.2 46.2 -64.5 -36.9 17.4 27.7 78.1 85 84 A W H >< S+ 0 0 1 -4,-2.1 10,-1.9 2,-0.2 11,-1.0 0.877 111.5 51.1 -72.8 -40.1 18.1 30.7 75.9 86 85 A I H 3< S+ 0 0 10 -4,-2.8 -2,-0.2 1,-0.2 10,-0.2 0.904 109.6 51.5 -60.4 -41.8 15.5 32.8 77.8 87 86 A N T 3< S+ 0 0 112 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.488 91.1 93.9 -76.7 -4.2 17.2 31.8 81.0 88 87 A T S < S- 0 0 36 -3,-0.9 8,-1.2 -4,-0.2 5,-0.0 -0.803 87.8-111.9 -87.7 127.4 20.6 32.8 79.7 89 88 A P > > - 0 0 75 0, 0.0 5,-2.2 0, 0.0 3,-2.1 -0.295 19.0-123.8 -57.8 141.2 21.5 36.5 80.7 90 89 A R G > 5S+ 0 0 92 1,-0.3 3,-1.8 3,-0.2 -2,-0.0 0.804 111.3 63.3 -55.7 -32.5 21.6 38.9 77.8 91 90 A K G 3 5S+ 0 0 199 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.627 103.9 48.2 -70.9 -14.2 25.2 39.8 78.7 92 91 A H G < 5S- 0 0 152 -3,-2.1 -1,-0.3 0, 0.0 -2,-0.2 0.014 133.8 -90.8-108.5 23.6 26.1 36.2 77.9 93 92 A G T < 5S+ 0 0 33 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.591 83.9 138.1 82.6 12.6 24.3 36.3 74.6 94 93 A G < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.1 -8,-0.2 -0.282 63.9-120.8 -82.1 171.0 20.9 35.1 75.9 95 94 A L - 0 0 0 -10,-1.9 -9,-0.2 -13,-0.2 -5,-0.1 0.769 45.6-165.2 -76.6 -28.9 17.4 36.3 75.2 96 95 A G - 0 0 10 -8,-1.2 -1,-0.2 -11,-1.0 -8,-0.1 -0.270 51.7 -5.4 68.0-162.6 16.8 37.2 78.8 97 96 A D S S- 0 0 140 -10,-0.1 2,-0.4 -76,-0.0 -39,-0.0 -0.407 72.6-153.6 -62.2 130.3 13.2 37.8 79.9 98 97 A M - 0 0 18 -2,-0.1 -77,-0.5 1,-0.1 -76,-0.1 -0.901 18.0-165.0-110.4 139.2 10.8 37.8 77.0 99 98 A K S S+ 0 0 117 -2,-0.4 -1,-0.1 -79,-0.1 -2,-0.0 0.362 76.4 58.7 -98.7 0.4 7.5 39.7 77.0 100 99 A I S S- 0 0 0 -30,-0.1 -79,-0.2 -81,-0.0 -28,-0.1 -0.925 94.6 -94.1-128.3 152.6 6.2 37.7 74.0 101 100 A P - 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