==== 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 07-MAR-08 2ZJJ . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.RANDAL,M.B.LAM,M.J.ROMANOWSKI . 370 3 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16149.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 1 0.3 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 . 44 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 5 2 2 3 4 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 3 0 0 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 1 445 A G 0 0 71 0, 0.0 3,-0.4 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 160.7 -1.3 52.1 36.8 2 446 A S + 0 0 108 1,-0.2 3,-0.3 2,-0.1 170,-0.1 0.219 360.0 83.8 -86.3 14.3 -2.1 50.0 39.8 3 447 A F >> + 0 0 47 1,-0.2 3,-1.1 2,-0.1 4,-0.9 -0.085 47.6 120.8-107.9 32.3 1.0 47.9 39.2 4 448 A V T 34 S+ 0 0 105 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.755 72.6 56.6 -67.8 -26.8 3.4 50.2 41.0 5 1 A E T 34 S+ 0 0 172 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.573 107.6 50.4 -79.4 -11.3 4.4 47.4 43.4 6 2 A M T X4 S+ 0 0 17 -3,-1.1 3,-0.8 159,-0.0 160,-0.5 0.628 86.6 104.9 -96.0 -20.7 5.4 45.3 40.3 7 3 A V T 3< S+ 0 0 36 -4,-0.9 158,-0.1 1,-0.2 -3,-0.0 -0.382 85.1 16.2 -65.1 138.7 7.6 48.1 38.7 8 4 A D T 3 S+ 0 0 123 -2,-0.1 -1,-0.2 1,-0.1 157,-0.2 0.831 81.8 130.9 66.9 38.0 11.3 47.5 39.0 9 5 A N < + 0 0 10 -3,-0.8 12,-0.6 155,-0.3 2,-0.3 0.456 49.8 84.8 -96.1 -3.5 11.1 43.8 39.9 10 6 A L E +A 20 0A 3 154,-2.3 2,-0.3 10,-0.1 154,-0.2 -0.801 49.5 167.3-103.9 142.9 13.6 42.7 37.3 11 7 A R E +A 19 0A 107 8,-1.8 8,-3.2 -2,-0.3 2,-0.1 -0.901 8.8 134.3-139.6 168.8 17.4 42.6 37.7 12 8 A G - 0 0 23 -2,-0.3 6,-0.1 6,-0.2 3,-0.1 -0.371 44.3-104.5 148.5 136.0 20.3 41.0 35.8 13 9 A K >> - 0 0 53 104,-0.4 3,-1.9 4,-0.2 4,-0.9 -0.318 57.1 -73.1 -76.3 158.4 23.8 41.8 34.4 14 10 A S T 34 S- 0 0 61 1,-0.3 -1,-0.1 2,-0.2 210,-0.0 -0.271 114.5 -2.2 -59.2 121.6 24.6 42.4 30.7 15 11 A G T 34 S+ 0 0 26 -3,-0.1 -1,-0.3 -2,-0.1 209,-0.1 0.535 115.7 86.9 78.0 9.3 24.4 39.3 28.6 16 12 A Q T <4 S- 0 0 51 -3,-1.9 -2,-0.2 1,-0.1 98,-0.1 0.598 95.0 -95.9-114.6 -20.3 23.7 37.0 31.6 17 13 A G < - 0 0 17 -4,-0.9 2,-0.4 -5,-0.1 -4,-0.2 -0.105 25.4 -92.8 118.3 149.3 19.9 37.3 31.7 18 14 A Y - 0 0 17 203,-0.4 17,-2.9 17,-0.3 2,-0.3 -0.799 44.0-171.0 -94.9 135.4 17.0 39.1 33.4 19 15 A Y E -AB 11 34A 15 -8,-3.2 -8,-1.8 -2,-0.4 2,-0.3 -0.901 14.7-149.5-130.8 156.2 15.5 37.5 36.6 20 16 A V E -AB 10 33A 0 13,-2.3 13,-2.8 -2,-0.3 2,-0.4 -0.907 30.1-105.3-121.3 148.0 12.6 37.9 39.0 21 17 A E E + B 0 32A 47 -12,-0.6 72,-0.5 -2,-0.3 2,-0.3 -0.596 48.5 165.9 -69.2 126.9 12.2 37.1 42.7 22 18 A M E - B 0 31A 2 9,-2.6 9,-3.1 -2,-0.4 2,-0.4 -0.972 25.4-143.9-139.6 155.4 10.2 34.0 43.3 23 19 A T E -CB 90 30A 14 67,-2.6 67,-1.9 -2,-0.3 2,-0.4 -0.935 11.1-164.1-118.9 146.6 9.6 31.6 46.3 24 20 A V E > -CB 89 29A 3 5,-1.8 5,-1.6 -2,-0.4 65,-0.2 -0.997 48.2 -7.4-132.0 131.6 9.1 27.9 46.2 25 21 A G T 5S- 0 0 3 63,-2.6 36,-0.1 -2,-0.4 4,-0.1 -0.191 90.3 -38.3 87.5-176.4 7.7 25.6 48.9 26 22 A S T 5S+ 0 0 33 1,-0.2 36,-1.8 2,-0.1 37,-0.3 -0.984 128.8 32.0-137.5 122.5 6.6 26.0 52.5 27 23 A P T 5S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.585 119.3-101.5 -65.2 153.1 8.2 27.8 54.3 28 24 A P T 5 - 0 0 88 0, 0.0 2,-0.7 0, 0.0 -3,-0.2 -0.237 32.4-157.4 -55.1 121.1 9.0 30.0 51.2 29 25 A Q E < -B 24 0A 30 -5,-1.6 -5,-1.8 -4,-0.1 2,-0.2 -0.915 18.7-136.0 -99.8 113.0 12.5 29.4 49.9 30 26 A T E +B 23 0A 54 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.492 31.7 165.5 -75.6 133.9 13.5 32.5 47.9 31 27 A L E -B 22 0A 4 -9,-3.1 -9,-2.6 -2,-0.2 2,-0.5 -0.977 36.6-120.5-141.5 154.1 15.3 32.1 44.5 32 28 A N E -B 21 0A 2 -2,-0.3 88,-3.2 -11,-0.2 89,-1.0 -0.872 32.9-157.2 -96.3 127.9 16.1 34.3 41.6 33 29 A I E -Bd 20 121A 1 -13,-2.8 -13,-2.3 -2,-0.5 89,-0.3 -0.922 14.7-124.9-119.9 121.4 14.5 33.0 38.4 34 30 A L E -Bd 19 122A 17 87,-3.1 89,-3.6 -2,-0.5 2,-0.7 -0.379 25.1-130.8 -58.7 127.7 15.5 33.7 34.8 35 31 A V E + d 0 123A 1 -17,-2.9 2,-0.4 87,-0.2 -17,-0.3 -0.769 34.6 174.7 -84.9 116.4 12.6 35.1 32.7 36 32 A D E > + d 0 124A 10 87,-2.3 89,-3.2 -2,-0.7 3,-0.5 -0.941 25.6 173.5-133.5 110.4 12.5 33.0 29.5 37 33 A T T 3 S+ 0 0 1 -2,-0.4 154,-0.5 87,-0.2 182,-0.2 0.340 80.2 69.8 -93.0 4.7 9.8 33.4 26.8 38 34 A G T 3 S+ 0 0 13 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.322 101.8 41.2-102.7 4.0 11.7 31.0 24.6 39 35 A S < - 0 0 7 -3,-0.5 87,-2.7 84,-0.2 92,-0.1 -0.889 63.2-146.1-142.0 174.9 11.0 27.9 26.7 40 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.311 61.4 99.7-130.6 5.8 8.1 26.4 28.7 41 37 A N - 0 0 5 89,-0.1 83,-1.2 98,-0.1 2,-0.7 -0.800 56.1-147.2-101.1 138.8 9.6 24.6 31.7 42 38 A F E +E 123 0A 9 -2,-0.4 62,-2.5 81,-0.2 2,-0.4 -0.916 36.4 160.5 -99.5 110.9 9.8 25.9 35.3 43 39 A A E -Ef 122 104A 0 79,-1.8 79,-3.2 -2,-0.7 2,-0.3 -0.996 18.5-171.8-137.7 136.5 13.0 24.5 36.7 44 40 A V E -Ef 121 105A 0 60,-2.0 62,-3.2 -2,-0.4 2,-0.3 -0.916 37.8 -94.9-125.7 152.8 15.1 25.4 39.7 45 41 A G E + f 0 106A 0 75,-2.9 11,-3.7 -2,-0.3 62,-0.2 -0.517 41.9 172.0 -62.1 126.0 18.5 24.3 41.0 46 42 A A + 0 0 10 60,-2.6 12,-0.2 -2,-0.3 61,-0.1 0.117 60.5 47.9-127.9 17.3 17.8 21.6 43.6 47 43 A A S S- 0 0 27 59,-0.5 9,-0.1 7,-0.1 -1,-0.1 -0.968 98.6 -81.6-152.5 149.4 21.4 20.4 44.2 48 44 A P + 0 0 99 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.186 48.3 177.4 -56.4 145.3 24.6 22.3 44.9 49 45 A H > - 0 0 52 3,-0.4 3,-2.2 -4,-0.1 59,-0.0 -0.985 41.9-112.2-150.6 142.1 26.5 23.8 41.9 50 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.720 119.8 40.5 -44.6 -31.1 29.7 25.9 41.6 51 47 A F T 3 S+ 0 0 79 64,-0.1 2,-0.5 65,-0.0 65,-0.3 0.453 98.3 91.8-101.6 -3.1 27.7 28.9 40.3 52 48 A L < + 0 0 21 -3,-2.2 -3,-0.4 1,-0.1 3,-0.1 -0.828 43.4 179.6 -97.1 126.1 24.8 28.5 42.7 53 49 A H S S+ 0 0 159 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.729 79.7 15.1 -88.1 -29.5 24.8 30.3 46.1 54 50 A R - 0 0 91 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.3 -0.972 69.4-174.7-142.3 155.3 21.4 28.9 47.0 55 51 A Y - 0 0 78 -2,-0.3 2,-0.5 -3,-0.1 -9,-0.3 -0.950 36.1 -83.6-147.7 167.4 19.2 26.0 45.8 56 52 A Y - 0 0 4 -11,-3.7 2,-0.8 -2,-0.3 -31,-0.1 -0.622 34.5-159.2 -79.0 117.1 15.8 24.4 46.2 57 53 A Q > - 0 0 66 -2,-0.5 3,-0.7 1,-0.2 4,-0.3 -0.873 7.5-173.5-100.8 106.4 15.7 22.0 49.1 58 54 A R G > S+ 0 0 46 -2,-0.8 3,-1.0 -12,-0.2 6,-0.3 0.797 80.7 60.7 -69.9 -32.0 12.7 19.6 48.6 59 55 A Q G 3 S+ 0 0 150 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.677 101.1 55.0 -71.0 -18.7 13.1 17.9 52.0 60 56 A L G < S+ 0 0 97 -3,-0.7 2,-0.5 -33,-0.0 -1,-0.2 0.514 93.4 85.5 -90.6 -8.2 12.5 21.2 53.8 61 57 A S < - 0 0 11 -3,-1.0 3,-0.5 -4,-0.3 -36,-0.1 -0.857 55.2-169.3-101.1 123.9 9.2 21.8 52.0 62 58 A S S S+ 0 0 108 -36,-1.8 -1,-0.1 -2,-0.5 -4,-0.0 0.694 89.3 54.6 -80.8 -21.3 6.0 20.2 53.5 63 59 A T S S+ 0 0 32 -37,-0.3 2,-0.2 25,-0.1 -1,-0.2 0.374 79.8 119.9 -95.0 2.2 4.0 21.1 50.3 64 60 A Y - 0 0 49 -3,-0.5 2,-0.4 -6,-0.3 23,-0.2 -0.509 44.1-166.3 -69.5 132.8 6.4 19.3 47.9 65 61 A R E -G 86 0A 152 21,-2.6 21,-2.4 -2,-0.2 2,-0.4 -0.990 14.9-135.7-123.8 123.6 4.9 16.5 45.9 66 62 A D E -G 85 0A 55 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.642 13.5-169.8 -80.8 125.2 7.1 14.0 44.0 67 63 A L E - 0 0 85 17,-1.7 18,-0.2 -2,-0.4 -1,-0.1 0.497 32.8-138.5 -87.3 -6.7 6.0 13.2 40.5 68 64 A R E + 0 0 210 16,-0.6 2,-0.3 1,-0.2 17,-0.1 0.873 61.0 116.1 50.5 48.4 8.6 10.4 40.5 69 65 A K E - 0 0 107 15,-0.5 15,-3.4 2,-0.0 2,-0.2 -0.978 59.5-131.7-147.3 132.0 9.8 11.1 36.9 70 66 A G E -G 83 0A 58 -2,-0.3 2,-0.4 13,-0.2 13,-0.3 -0.586 22.7-161.2 -83.1 144.7 13.1 12.2 35.5 71 67 A V E -G 82 0A 8 11,-3.2 11,-3.0 -2,-0.2 2,-0.4 -0.975 10.6-166.7-131.7 139.6 13.3 15.1 33.0 72 68 A Y E -G 81 0A 147 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.997 8.3-176.7-125.4 128.1 15.9 16.2 30.5 73 69 A V E -G 80 0A 5 7,-2.5 7,-2.0 -2,-0.4 2,-0.4 -0.936 4.4-169.6-130.9 109.3 15.7 19.6 28.8 74 70 A P E -G 79 0A 41 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.812 8.6-173.4 -91.4 136.2 18.2 20.8 26.1 75 71 A Y - 0 0 51 3,-2.7 3,-0.3 -2,-0.4 -36,-0.0 -0.623 43.0-101.3-110.8 178.3 18.2 24.5 25.0 76 72 A T S S+ 0 0 114 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.897 122.1 30.9 -62.3 -42.6 20.1 26.3 22.2 77 73 A Q S S- 0 0 130 1,-0.1 -1,-0.3 -3,-0.0 34,-0.0 -0.925 128.1 -10.0-121.2 103.6 22.3 27.6 25.0 78 74 A G - 0 0 14 -2,-0.5 -3,-2.7 -3,-0.3 2,-0.3 0.039 58.3-140.4 96.6 157.0 22.7 25.2 27.9 79 75 A A E -GH 74 110A 20 31,-2.1 31,-2.8 -5,-0.2 2,-0.3 -0.986 13.0-174.1-150.6 151.6 21.1 22.0 29.1 80 76 A W E -GH 73 109A 4 -7,-2.0 -7,-2.5 -2,-0.3 2,-0.3 -0.961 10.8-152.1-142.8 162.9 19.9 20.5 32.4 81 77 A A E +GH 72 108A 33 27,-3.5 27,-2.0 -2,-0.3 26,-1.6 -0.986 30.8 132.8-133.7 146.0 18.5 17.2 33.9 82 78 A G E -GH 71 106A 8 -11,-3.0 -11,-3.2 -2,-0.3 2,-0.4 -0.887 47.8 -76.0-165.8-164.0 16.3 16.8 36.9 83 79 A E E -GH 70 105A 75 22,-1.8 22,-3.2 -13,-0.3 -13,-0.2 -0.957 40.3-124.1-122.4 134.5 13.3 15.3 38.7 84 80 A L E + H 0 104A 3 -15,-3.4 -17,-1.7 -2,-0.4 -16,-0.6 -0.444 43.0 134.5 -80.6 149.4 9.7 16.4 38.3 85 81 A G E -GH 66 103A 2 18,-1.1 18,-3.5 -19,-0.2 2,-0.3 -0.964 41.1-113.2-172.3 175.2 7.4 17.5 41.1 86 82 A T E +GH 65 102A 20 -21,-2.4 -21,-2.6 -2,-0.3 2,-0.3 -0.937 34.1 152.8-124.5 151.8 4.9 20.1 42.2 87 83 A D E - H 0 101A 0 14,-1.7 14,-2.3 -2,-0.3 2,-0.4 -0.968 48.6 -73.8-162.3 172.9 5.0 22.7 45.0 88 84 A L E - H 0 100A 48 -2,-0.3 -63,-2.6 12,-0.2 2,-0.4 -0.644 47.8-170.9 -79.5 125.6 3.6 26.1 46.0 89 85 A V E +CH 24 99A 1 10,-3.1 10,-2.1 -2,-0.4 2,-0.3 -0.932 6.8 178.3-120.8 141.0 5.1 29.0 44.1 90 86 A S E -C 23 0A 26 -67,-1.9 -67,-2.6 -2,-0.4 8,-0.1 -0.959 25.2-142.2-136.8 157.0 4.8 32.8 44.7 91 87 A I > - 0 0 10 4,-0.5 3,-2.4 6,-0.5 -69,-0.2 -0.896 12.7-162.1-120.6 97.8 6.1 36.0 43.2 92 88 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.795 92.9 36.0 -48.3 -40.7 6.9 38.5 46.0 93 89 A H T 3 S+ 0 0 93 -72,-0.5 -84,-0.1 -84,-0.1 3,-0.1 -0.107 117.7 59.8-108.6 33.7 6.9 41.5 43.7 94 90 A G S < S- 0 0 16 -3,-2.4 2,-0.1 1,-0.3 73,-0.1 -0.294 105.3 -18.6-126.5-145.6 4.2 40.2 41.4 95 91 A P - 0 0 14 0, 0.0 2,-2.4 0, 0.0 -4,-0.5 -0.435 66.7-114.8 -67.2 140.7 0.5 39.3 41.9 96 92 A N S S+ 0 0 170 -2,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.435 78.4 106.1 -77.4 69.2 -0.5 38.6 45.5 97 93 A V - 0 0 43 -2,-2.4 -6,-0.5 -6,-0.2 2,-0.4 -0.900 57.5-142.3-141.4 165.9 -1.3 34.9 45.0 98 94 A T - 0 0 83 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.993 23.7-179.2-135.5 128.9 0.1 31.4 45.6 99 95 A V E - 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