==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-DEC-06 2OAH . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MUNSHI . 378 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 42 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 4 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 . 3 3 1 4 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 2 0 0 0 0 0 0 0 0 1 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 43PA R 0 0 291 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.9 41.6 46.7 36.5 2 44PA R - 0 0 218 4,-0.0 4,-0.2 0, 0.0 0, 0.0 0.011 360.0-173.1-164.9 -77.0 42.7 43.3 35.0 3 45PA G > - 0 0 38 2,-0.1 3,-1.7 1,-0.1 4,-0.2 0.798 32.4-123.4 63.1 115.9 40.3 41.2 33.0 4 46PA S T 3 S+ 0 0 115 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.890 112.7 39.8 -56.6 -43.8 41.7 37.7 32.0 5 47PA F T >> S+ 0 0 50 1,-0.2 3,-2.3 168,-0.2 4,-0.6 0.187 80.2 123.2 -91.7 17.7 41.2 38.3 28.3 6 48PA V G X4 + 0 0 84 -3,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.782 64.0 62.4 -48.8 -35.5 42.3 42.0 28.5 7 1 A E G 34 S+ 0 0 131 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.678 101.9 52.3 -69.0 -15.6 45.1 41.5 25.9 8 2 A M G X4 S+ 0 0 21 -3,-2.3 3,-1.2 159,-0.0 160,-0.7 0.567 83.8 108.7 -94.0 -11.5 42.5 40.7 23.2 9 3 A V T << S+ 0 0 36 -3,-1.0 158,-0.1 -4,-0.6 -3,-0.0 -0.446 87.3 11.5 -68.6 137.6 40.4 43.8 23.9 10 4 A D T 3 S+ 0 0 95 -2,-0.1 -1,-0.3 149,-0.1 157,-0.2 0.772 83.2 134.2 66.7 29.9 40.7 46.4 21.1 11 5 A N < + 0 0 15 -3,-1.2 12,-0.5 84,-0.1 2,-0.3 0.378 52.0 80.6 -89.6 5.5 42.4 43.9 18.7 12 6 A L E -AB 22 166A 0 154,-2.2 154,-1.3 10,-0.1 2,-0.3 -0.853 53.1-179.4-114.2 150.3 40.2 44.9 15.8 13 7 A R E +A 21 0A 128 8,-1.8 8,-2.7 -2,-0.3 2,-0.2 -0.883 37.4 60.0-136.1 164.4 40.4 47.9 13.4 14 8 A G E -A 20 0A 25 -2,-0.3 2,-0.3 6,-0.2 6,-0.3 -0.661 63.7 -94.1 115.8-171.1 38.2 49.0 10.5 15 9 A K E > -A 19 0A 125 4,-1.2 4,-2.5 -2,-0.2 147,-0.1 -0.903 32.4-100.3-145.3 171.3 34.5 49.9 9.8 16 10 A S T 4 S+ 0 0 13 -2,-0.3 313,-0.2 1,-0.2 314,-0.1 0.834 117.3 51.7 -65.7 -34.7 31.3 48.4 8.6 17 11 A G T 4 S+ 0 0 21 1,-0.1 -1,-0.2 285,-0.1 209,-0.1 0.875 126.2 20.6 -72.2 -38.1 31.7 49.7 5.0 18 12 A Q T 4 S- 0 0 77 1,-0.2 -2,-0.2 100,-0.1 -1,-0.1 0.579 116.8 -99.9-108.0 -13.0 35.2 48.4 4.4 19 13 A G E < -A 15 0A 12 -4,-2.5 -4,-1.2 17,-0.0 2,-0.4 -0.063 22.6 -95.3 110.2 150.5 35.4 45.6 7.0 20 14 A Y E -A 14 0A 2 203,-0.3 17,-2.8 17,-0.3 2,-0.3 -0.842 44.5-171.4-100.5 138.6 36.8 44.9 10.5 21 15 A Y E -AC 13 36A 27 -8,-2.7 -8,-1.8 -2,-0.4 2,-0.3 -0.943 16.5-157.3-137.0 156.6 40.2 43.2 10.6 22 16 A V E -AC 12 35A 2 13,-2.6 13,-2.9 -2,-0.3 2,-0.3 -0.905 31.3-104.8-127.5 151.8 42.6 41.6 13.1 23 17 A E E - C 0 34A 68 -12,-0.5 72,-0.4 -2,-0.3 2,-0.4 -0.610 37.4-179.5 -79.7 136.5 46.4 41.0 12.8 24 18 A M E - C 0 33A 0 9,-2.4 9,-2.7 -2,-0.3 2,-0.5 -0.999 17.4-145.2-136.3 136.0 47.5 37.5 12.1 25 19 A T E -DC 92 32A 27 67,-3.0 67,-2.4 -2,-0.4 2,-0.3 -0.903 21.0-174.7-106.7 125.3 51.1 36.3 11.8 26 20 A V E > -DC 91 31A 1 5,-2.8 5,-1.2 -2,-0.5 65,-0.2 -0.889 37.8 -1.3-121.2 150.1 51.9 33.6 9.2 27 21 A G T 5S- 0 0 12 63,-2.2 4,-0.2 -2,-0.3 36,-0.1 0.050 85.4 -48.0 72.4-179.0 55.0 31.6 8.4 28 22 A S T 5S+ 0 0 46 2,-0.1 36,-2.7 3,-0.0 37,-0.4 -0.970 122.8 33.7-144.7 122.7 58.5 31.5 9.6 29 23 A P T 5S- 0 0 87 0, 0.0 36,-0.1 0, 0.0 -3,-0.1 0.587 122.5 -86.6 -63.0 167.5 60.1 33.9 10.0 30 24 A P T 5 - 0 0 107 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.156 43.0-176.5 -52.3 131.8 57.0 36.0 11.0 31 25 A Q E < -C 26 0A 26 -5,-1.2 -5,-2.8 -4,-0.2 2,-0.4 -0.908 12.5-162.1-131.7 100.0 54.9 37.6 8.3 32 26 A T E +C 25 0A 46 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.2 -0.705 13.3 174.0 -90.5 133.2 52.1 39.7 9.9 33 27 A L E -C 24 0A 3 -9,-2.7 -9,-2.4 -2,-0.4 2,-0.6 -0.929 35.7-111.4-134.8 157.5 49.1 40.7 7.8 34 28 A N E -C 23 0A 11 -2,-0.3 88,-2.9 -11,-0.2 89,-1.1 -0.815 39.4-163.9 -90.7 124.6 45.8 42.5 8.5 35 29 A I E -Ce 22 123A 0 -13,-2.9 -13,-2.6 -2,-0.6 89,-0.3 -0.941 18.7-120.9-120.8 131.2 42.9 39.9 8.0 36 30 A L E -Ce 21 124A 13 87,-2.8 89,-3.4 -2,-0.4 2,-0.8 -0.447 23.2-131.6 -67.3 130.0 39.2 40.5 7.6 37 31 A V E + e 0 125A 0 -17,-2.8 2,-0.5 -2,-0.2 -17,-0.3 -0.750 35.3 174.8 -85.5 109.6 37.0 38.9 10.2 38 32 A D E > + e 0 126A 7 87,-2.1 89,-2.5 -2,-0.8 3,-1.0 -0.865 25.5 174.1-126.2 101.3 34.3 37.1 8.2 39 33 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.5 1,-0.2 182,-0.2 0.421 79.0 72.1 -80.9 4.1 31.7 34.9 9.9 40 34 A G T 3 S+ 0 0 10 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.314 101.3 33.8-100.1 6.0 30.0 34.6 6.6 41 35 A S < - 0 0 9 -3,-1.0 87,-3.0 84,-0.2 92,-0.1 -0.897 64.1-140.4-147.6 176.9 32.6 32.3 4.9 42 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.254 62.7 98.8-133.1 15.4 35.0 29.5 5.9 43 37 A N - 0 0 3 98,-0.1 83,-1.3 89,-0.1 2,-0.6 -0.882 56.5-146.4-108.8 138.0 38.3 30.0 4.0 44 38 A F E +F 125 0A 10 -2,-0.4 62,-2.2 81,-0.2 2,-0.3 -0.905 37.0 161.5 -97.3 121.0 41.4 31.5 5.4 45 39 A A E -Fg 124 106A 0 79,-2.2 79,-3.0 -2,-0.6 2,-0.4 -0.999 21.6-166.6-145.8 145.5 43.1 33.3 2.5 46 40 A V E -Fg 123 107A 0 60,-2.5 62,-2.9 -2,-0.3 77,-0.3 -0.985 35.1-100.5-135.3 143.2 45.7 36.0 2.1 47 41 A G E - g 0 108A 0 75,-3.2 11,-2.9 -2,-0.4 62,-0.2 -0.379 37.7-178.7 -56.4 134.1 46.9 38.2 -0.8 48 42 A A + 0 0 14 60,-2.7 12,-0.2 9,-0.2 -1,-0.1 0.153 57.9 43.2-126.2 18.4 50.1 36.5 -2.0 49 43 A A S S- 0 0 34 59,-0.3 9,-0.1 7,-0.1 7,-0.1 -0.978 98.4 -73.2-156.1 156.0 51.2 38.8 -4.9 50 44 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.176 51.5 174.7 -54.6 147.8 51.4 42.5 -5.5 51 45 A H > - 0 0 55 3,-0.4 3,-2.1 -4,-0.1 59,-0.0 -0.971 42.1-116.6-154.9 141.6 48.0 44.3 -6.0 52 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.798 117.0 44.0 -49.2 -34.4 47.1 48.0 -6.4 53 47 A F T 3 S+ 0 0 82 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.367 98.2 90.4 -95.7 3.6 45.1 47.9 -3.2 54 48 A L < - 0 0 22 -3,-2.1 -3,-0.4 1,-0.1 3,-0.1 -0.888 47.4-173.1-109.1 130.6 47.6 45.9 -1.1 55 49 A H S S+ 0 0 146 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.716 81.0 2.0 -85.2 -25.7 50.3 47.4 1.1 56 50 A R - 0 0 91 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.972 66.0-167.4-155.0 165.6 51.8 44.0 1.8 57 51 A Y - 0 0 76 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.975 35.4 -81.1-155.7 164.9 51.3 40.3 1.0 58 52 A Y - 0 0 1 -11,-2.9 2,-0.7 -2,-0.3 -31,-0.0 -0.563 33.8-161.7 -73.9 123.9 52.2 36.8 1.9 59 53 A Q > - 0 0 69 -2,-0.4 3,-1.4 1,-0.2 4,-0.3 -0.831 6.1-174.2-111.5 91.8 55.6 35.7 0.4 60 54 A R G > S+ 0 0 49 -2,-0.7 3,-1.5 1,-0.3 6,-0.3 0.795 78.2 62.7 -56.4 -36.9 55.6 31.9 0.5 61 55 A Q G 3 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.760 101.4 55.4 -63.9 -21.3 59.2 31.4 -0.6 62 56 A L G < S+ 0 0 90 -3,-1.4 2,-0.7 1,-0.1 -1,-0.3 0.560 91.2 84.4 -86.5 -8.9 60.3 33.3 2.5 63 57 A S X - 0 0 7 -3,-1.5 3,-1.1 -4,-0.3 -36,-0.1 -0.847 57.4-168.2-100.2 111.9 58.5 30.9 4.9 64 58 A S T 3 S+ 0 0 101 -36,-2.7 -1,-0.1 -2,-0.7 -4,-0.0 0.723 88.5 53.3 -67.3 -22.6 60.5 27.8 5.7 65 59 A T T 3 S+ 0 0 32 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.2 0.436 78.7 118.7 -94.1 -1.1 57.4 26.2 7.2 66 60 A Y < - 0 0 41 -3,-1.1 2,-0.5 -6,-0.3 23,-0.2 -0.466 45.5-163.9 -68.5 134.6 55.1 26.6 4.2 67 61 A R E -H 88 0A 149 21,-2.6 21,-2.3 -2,-0.2 2,-0.3 -0.981 13.7-136.1-124.1 119.5 53.8 23.4 2.8 68 62 A D E -H 87 0A 94 -2,-0.5 19,-0.3 19,-0.2 18,-0.0 -0.571 10.3-165.1 -76.8 129.3 52.3 23.3 -0.7 69 63 A L E - 0 0 75 17,-2.1 18,-0.2 -2,-0.3 -1,-0.1 0.429 31.7-132.6 -92.0 0.1 49.1 21.3 -1.0 70 64 A R E + 0 0 217 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.924 66.4 115.4 46.9 55.6 49.3 21.3 -4.8 71 65 A K E - 0 0 86 15,-0.4 15,-2.9 2,-0.0 -2,-0.2 -0.951 58.0-136.2-154.9 130.5 45.7 22.2 -5.2 72 66 A G E -H 85 0A 53 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.429 18.9-162.6 -82.7 162.2 44.0 25.3 -6.6 73 67 A V E -H 84 0A 10 11,-1.9 11,-2.5 -2,-0.1 2,-0.4 -0.995 8.4-167.4-149.0 140.0 41.0 27.0 -4.9 74 68 A Y E -H 83 0A 144 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.998 6.0-173.5-130.3 128.3 38.4 29.5 -6.1 75 69 A V E -H 82 0A 5 7,-2.3 7,-1.7 -2,-0.4 2,-0.4 -0.949 2.7-168.9-130.4 115.5 36.1 31.4 -3.8 76 70 A P E -H 81 0A 54 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.801 8.3-174.5-100.1 141.6 33.2 33.6 -5.0 77 71 A Y - 0 0 51 3,-3.0 3,-0.3 -2,-0.4 -36,-0.0 -0.574 45.7 -96.9-118.7-175.5 31.4 35.9 -2.6 78 72 A T S S+ 0 0 109 1,-0.3 2,-0.6 -2,-0.2 -1,-0.1 0.893 124.5 38.6 -68.9 -37.5 28.3 38.1 -3.0 79 73 A Q S S- 0 0 132 1,-0.0 -1,-0.3 -3,-0.0 2,-0.0 -0.900 127.1 -34.2-117.0 99.4 30.8 40.8 -3.6 80 74 A G - 0 0 18 -2,-0.6 -3,-3.0 -3,-0.3 2,-0.3 -0.178 56.6-130.7 88.0-179.2 33.9 39.7 -5.6 81 75 A A E -HI 76 112A 10 31,-1.7 31,-3.0 -5,-0.3 2,-0.3 -0.967 10.4-156.5-168.3 159.2 35.9 36.6 -5.9 82 76 A W E -HI 75 111A 2 -7,-1.7 -7,-2.3 -2,-0.3 2,-0.4 -0.982 7.7-145.9-146.2 157.0 39.5 35.3 -5.9 83 77 A A E +HI 74 110A 33 27,-2.7 26,-1.9 -2,-0.3 27,-1.7 -0.931 33.8 142.5-120.9 146.2 41.6 32.4 -7.2 84 78 A G E -HI 73 108A 8 -11,-2.5 -11,-1.9 -2,-0.4 2,-0.4 -0.872 43.3 -89.1-160.9-165.2 44.6 31.0 -5.3 85 79 A E E -HI 72 107A 83 22,-1.7 22,-3.1 -2,-0.3 -13,-0.2 -0.983 34.5-129.6-129.1 135.0 46.7 28.1 -4.3 86 80 A L E + I 0 106A 1 -15,-2.9 -17,-2.1 -2,-0.4 -16,-0.5 -0.521 41.1 129.2 -86.8 151.0 46.3 25.9 -1.2 87 81 A G E -HI 68 105A 0 18,-1.1 18,-2.9 -19,-0.3 2,-0.3 -0.937 44.2-109.5-174.1-175.6 48.9 25.0 1.4 88 82 A T E +HI 67 104A 19 -21,-2.3 -21,-2.6 -2,-0.3 2,-0.3 -0.946 33.6 158.9-133.4 156.7 49.5 25.0 5.1 89 83 A D E - I 0 103A 0 14,-1.6 14,-2.2 -2,-0.3 2,-0.2 -0.963 46.9 -74.1-164.2 170.2 51.7 27.1 7.4 90 84 A L E - I 0 102A 59 -2,-0.3 -63,-2.2 12,-0.2 2,-0.4 -0.556 48.5-171.2 -76.2 140.4 52.1 28.2 11.0 91 85 A V E +DI 26 101A 2 10,-2.6 10,-2.2 -2,-0.2 2,-0.3 -0.997 11.1 171.0-140.0 131.8 49.6 30.8 12.1 92 86 A S E -D 25 0A 26 -67,-2.4 -67,-3.0 -2,-0.4 8,-0.1 -0.924 27.7-138.7-133.9 157.9 49.4 32.9 15.3 93 87 A I > - 0 0 6 4,-0.5 3,-2.5 6,-0.5 -69,-0.2 -0.932 13.8-156.5-120.7 101.0 47.2 35.8 16.3 94 88 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.831 95.8 32.3 -43.0 -46.2 49.5 38.3 18.2 95 89 A H T 3 S+ 0 0 75 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.053 118.6 64.3-107.1 29.8 46.5 39.8 20.1 96 90 A G S < S- 0 0 7 -3,-2.5 73,-0.0 1,-0.4 -89,-0.0 -0.234 102.1 -17.7-123.5-146.4 44.5 36.6 20.2 97 91 A P - 0 0 11 0, 0.0 2,-1.7 0, 0.0 -4,-0.5 -0.241 63.4-115.8 -63.9 151.3 45.1 33.3 22.0 98 92 A N S S+ 0 0 172 -3,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.502 82.6 92.6 -88.5 66.9 48.7 32.4 23.1 99 93 A V - 0 0 43 -2,-1.7 -6,-0.5 -6,-0.2 2,-0.4 -0.927 60.9-142.4-148.3 168.5 49.0 29.4 20.7 100 94 A T - 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