==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-07 2QU2 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.CHOPRA . 364 6 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 69.8 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 . 111 30.5 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 . 0 0.0 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-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 . 49 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 8.5 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 3 0 0 0 1 0 0 0 0 0 0 1 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 . 5 2 3 3 1 5 0 1 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 60 A S 0 0 76 0, 0.0 2,-3.3 0, 0.0 172,-0.1 0.000 360.0 360.0 360.0 21.1 13.9 -6.2 -12.2 2 61 A F > + 0 0 65 1,-0.2 4,-0.6 170,-0.1 176,-0.1 -0.437 360.0 58.8 76.5 -56.1 14.7 -3.5 -9.7 3 62 A V T >4 S+ 0 0 115 -2,-3.3 3,-0.9 1,-0.2 -1,-0.2 0.900 102.8 47.0 -62.7 -43.7 11.5 -2.3 -11.5 4 63 A E T 34 S+ 0 0 92 1,-0.2 -1,-0.2 89,-0.1 169,-0.0 0.804 111.4 55.5 -68.4 -26.5 9.7 -5.5 -10.4 5 64 A M T >4 S+ 0 0 7 169,-0.1 3,-1.1 166,-0.1 167,-0.8 0.522 80.1 114.3 -85.0 -6.6 11.1 -4.8 -6.9 6 65 A V T << S+ 0 0 62 -3,-0.9 165,-0.1 -4,-0.6 -3,-0.0 -0.426 85.6 6.2 -70.7 139.6 9.7 -1.3 -6.5 7 66 A D T 3 S+ 0 0 113 -2,-0.1 164,-0.3 1,-0.1 -1,-0.3 0.801 84.1 140.3 60.0 34.4 7.1 -0.7 -3.8 8 67 A N < + 0 0 18 -3,-1.1 12,-0.5 84,-0.1 2,-0.4 0.269 47.4 79.5 -90.4 13.3 7.6 -4.3 -2.5 9 68 A L E -A 170 0A 4 161,-2.4 161,-1.1 10,-0.1 2,-0.3 -0.964 53.2-179.1-124.9 140.4 7.3 -3.4 1.2 10 69 A R E +AB 169 18A 135 8,-1.8 8,-3.0 -2,-0.4 2,-0.3 -0.917 9.4 159.5-131.8 157.0 4.2 -2.7 3.3 11 70 A G E -A 168 0A 0 157,-1.4 157,-2.5 -2,-0.3 2,-0.4 -0.993 39.1-115.2-168.6 169.0 3.7 -1.8 6.9 12 71 A K E > -A 167 0A 36 4,-0.5 3,-2.7 -2,-0.3 155,-0.2 -0.933 60.9 -85.2-111.0 136.2 1.6 -0.3 9.6 13 72 A S T 3 S+ 0 0 9 153,-3.6 152,-0.1 -2,-0.4 154,-0.0 -0.123 112.5 3.3 -45.9 130.0 3.1 2.9 11.1 14 73 A G T 3 S+ 0 0 30 1,-0.1 -1,-0.3 216,-0.1 216,-0.2 0.412 112.4 89.6 73.3 -2.9 5.6 2.1 13.9 15 74 A Q S < S- 0 0 39 -3,-2.7 -2,-0.2 1,-0.3 98,-0.1 0.204 93.2-108.0-110.6 15.7 5.2 -1.7 13.3 16 75 A G - 0 0 15 -4,-0.2 -4,-0.5 -5,-0.1 2,-0.4 -0.270 30.6 -78.6 93.6-176.0 8.0 -2.2 10.7 17 76 A Y - 0 0 10 17,-0.3 17,-2.9 -6,-0.2 2,-0.3 -0.996 42.9-167.9-130.7 130.5 8.1 -3.0 7.0 18 77 A Y E -BC 10 33A 8 -8,-3.0 -8,-1.8 -2,-0.4 2,-0.4 -0.815 11.5-151.6-121.2 163.3 7.6 -6.4 5.6 19 78 A V E - C 0 32A 3 13,-2.2 13,-3.3 -2,-0.3 2,-0.2 -0.966 28.7-111.4-130.7 145.8 8.2 -8.1 2.3 20 79 A E E + C 0 31A 72 -12,-0.5 72,-0.4 -2,-0.4 2,-0.3 -0.551 43.6 170.2 -78.5 142.7 6.2 -11.0 1.0 21 80 A M E - C 0 30A 0 9,-2.9 9,-2.4 -2,-0.2 2,-0.4 -0.898 23.8-137.8-145.4 167.8 8.2 -14.3 0.8 22 81 A T E -DC 89 29A 20 67,-2.4 67,-2.3 -2,-0.3 2,-0.4 -0.981 15.2-170.4-133.4 144.4 7.5 -17.9 0.1 23 82 A V E > +DC 88 28A 1 5,-1.7 5,-1.5 -2,-0.4 65,-0.2 -1.000 45.6 0.7-139.4 136.9 8.9 -20.9 1.9 24 83 A G T 5S- 0 0 7 63,-2.4 36,-0.1 -2,-0.4 62,-0.1 -0.302 90.3 -39.6 89.4-173.3 8.7 -24.6 1.2 25 84 A S T 5S+ 0 0 30 2,-0.1 36,-2.2 -2,-0.1 37,-0.3 -0.965 129.1 32.0-143.3 115.0 7.0 -26.7 -1.6 26 85 A P T 5S- 0 0 99 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.610 120.6 -97.3 -65.8 165.8 4.4 -25.9 -2.6 27 86 A P T 5 - 0 0 92 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.369 36.0-152.0 -59.7 121.6 5.2 -22.2 -1.9 28 87 A Q E < -C 23 0A 27 -5,-1.5 -5,-1.7 -2,-0.2 2,-0.4 -0.853 16.3-132.3 -96.7 129.0 3.8 -21.1 1.5 29 88 A T E +C 22 0A 59 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.676 35.6 157.5 -87.7 133.9 3.0 -17.3 1.5 30 89 A L E -C 21 0A 1 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.5 -0.995 39.0-126.1-152.8 148.7 4.2 -15.1 4.3 31 90 A N E -C 20 0A 15 -2,-0.3 88,-3.3 -11,-0.2 89,-1.2 -0.854 31.2-161.1 -96.5 127.9 4.9 -11.5 5.1 32 91 A I E -Ce 19 120A 1 -13,-3.3 -13,-2.2 -2,-0.5 89,-0.2 -0.938 17.7-124.5-120.8 123.1 8.4 -11.0 6.6 33 92 A L E -Ce 18 121A 11 87,-2.3 89,-3.2 -2,-0.5 2,-0.8 -0.377 25.3-131.1 -60.4 126.4 9.7 -8.0 8.5 34 93 A V E + e 0 122A 4 -17,-2.9 2,-0.6 87,-0.2 -17,-0.3 -0.732 32.7 179.6 -83.6 109.7 12.9 -6.6 6.9 35 94 A D E > + e 0 123A 20 87,-2.1 89,-3.0 -2,-0.8 3,-1.0 -0.883 24.7 176.2-121.2 104.8 15.4 -6.2 9.7 36 95 A T T 3 S+ 0 0 0 -2,-0.6 161,-0.5 1,-0.2 189,-0.2 0.372 82.2 67.4 -81.9 6.8 18.9 -4.9 9.1 37 96 A G T 3 S+ 0 0 15 159,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.163 101.7 39.9-112.3 16.5 19.5 -5.1 12.8 38 97 A S < - 0 0 31 -3,-1.0 87,-3.2 84,-0.1 92,-0.1 -0.941 63.5-143.8-152.9 169.9 19.4 -8.9 13.2 39 98 A S + 0 0 3 90,-0.3 2,-0.3 -2,-0.3 100,-0.3 0.300 60.1 95.9-128.9 11.6 20.7 -11.9 11.3 40 99 A N - 0 0 14 98,-0.1 83,-2.5 89,-0.1 2,-1.0 -0.795 60.5-140.0-107.0 148.2 18.2 -14.8 11.6 41 100 A F E +F 122 0A 7 -2,-0.3 62,-3.2 81,-0.2 2,-0.5 -0.854 42.3 167.0-100.2 95.4 15.5 -15.9 9.2 42 101 A A E +Fg 121 103A 1 79,-1.9 79,-4.0 -2,-1.0 2,-0.3 -0.950 9.6 173.6-117.6 132.6 12.9 -16.7 11.8 43 102 A V E -Fg 120 104A 0 60,-2.2 62,-3.3 -2,-0.5 77,-0.3 -0.960 40.6 -95.0-136.2 152.1 9.2 -17.4 11.1 44 103 A G E + g 0 105A 1 75,-2.7 11,-3.1 -2,-0.3 62,-0.2 -0.445 39.9 171.4 -64.1 136.4 6.2 -18.5 13.1 45 104 A A + 0 0 8 60,-2.9 12,-0.2 9,-0.2 -1,-0.1 0.071 60.2 50.0-134.6 18.8 5.9 -22.2 12.6 46 105 A A S S- 0 0 23 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.979 98.6 -75.1-155.0 152.7 3.2 -22.9 15.2 47 106 A P + 0 0 94 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.107 51.9 176.0 -50.9 143.2 -0.2 -21.4 16.0 48 107 A H B > -N 51 0B 43 3,-0.5 3,-0.7 1,-0.1 5,-0.1 -0.992 41.6-118.1-153.2 147.2 -0.2 -18.0 17.8 49 108 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.782 119.5 37.1 -54.0 -33.0 -2.8 -15.4 19.0 50 109 A F T 3 S+ 0 0 71 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.567 103.0 90.3 -96.9 -10.7 -1.4 -12.7 16.7 51 110 A L B < +N 48 0B 16 -3,-0.7 -3,-0.5 1,-0.1 3,-0.1 -0.767 38.2 168.1 -90.6 124.9 -0.6 -15.2 13.9 52 111 A H S S+ 0 0 180 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.274 79.2 28.2-111.1 1.9 -3.3 -15.8 11.3 53 112 A R S S+ 0 0 87 -7,-0.1 -1,-0.3 -5,-0.1 2,-0.3 -0.950 70.8 170.0-160.3 138.6 -0.8 -17.6 9.2 54 113 A Y - 0 0 71 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.2 -0.958 39.2 -83.7-150.4 171.5 2.3 -19.6 9.8 55 114 A Y - 0 0 2 -11,-3.1 2,-0.6 -2,-0.3 3,-0.1 -0.612 33.9-161.9 -78.7 129.7 5.0 -21.9 8.4 56 115 A Q >> - 0 0 52 -2,-0.3 3,-1.4 1,-0.2 4,-0.6 -0.879 10.9-174.3-117.5 96.6 4.0 -25.6 8.3 57 116 A R G >4 S+ 0 0 48 -2,-0.6 3,-1.1 1,-0.3 6,-0.3 0.825 83.0 69.4 -55.3 -31.1 7.1 -27.7 7.9 58 117 A Q G 34 S+ 0 0 151 1,-0.3 -1,-0.3 -3,-0.1 5,-0.0 0.799 98.5 46.5 -57.8 -35.5 4.7 -30.6 7.6 59 118 A L G <4 S+ 0 0 98 -3,-1.4 2,-0.6 -33,-0.0 -1,-0.3 0.536 91.4 97.7 -86.4 -9.1 3.4 -29.5 4.2 60 119 A S X< - 0 0 12 -3,-1.1 3,-0.8 -4,-0.6 -36,-0.1 -0.730 49.5-171.6 -90.3 119.9 6.8 -28.9 2.7 61 120 A S T 3 S+ 0 0 103 -36,-2.2 -1,-0.2 -2,-0.6 -4,-0.0 0.679 92.7 47.9 -77.2 -18.7 8.2 -31.7 0.5 62 121 A T T 3 S+ 0 0 34 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.2 0.235 83.1 121.1-105.8 10.3 11.5 -29.8 0.5 63 122 A Y < - 0 0 56 -3,-0.8 2,-0.4 -6,-0.3 23,-0.2 -0.504 42.6-164.4 -75.2 145.9 11.8 -29.1 4.2 64 123 A R E -H 85 0A 150 21,-2.6 21,-2.3 -2,-0.2 2,-0.1 -0.996 11.7-138.2-137.2 131.1 14.9 -30.4 6.0 65 124 A D E -H 84 0A 67 -2,-0.4 19,-0.2 19,-0.2 17,-0.0 -0.464 9.7-168.7 -83.9 155.0 15.4 -30.7 9.7 66 125 A L E - 0 0 73 17,-1.5 18,-0.2 2,-0.2 -1,-0.1 0.499 29.9-137.5-116.3 -15.1 18.7 -29.7 11.2 67 126 A R E + 0 0 217 16,-0.6 2,-0.2 1,-0.2 17,-0.1 0.959 67.5 104.9 48.9 90.1 18.0 -31.2 14.6 68 127 A K E - 0 0 106 15,-0.2 15,-2.4 2,-0.0 -1,-0.2 -0.543 60.3-140.2 166.3 118.0 19.4 -28.5 16.7 69 128 A G E -H 82 0A 47 13,-0.2 2,-0.3 -2,-0.2 13,-0.2 -0.290 3.8-144.1 -89.2 179.2 17.1 -26.0 18.5 70 129 A V E -H 81 0A 7 11,-1.7 11,-1.8 -2,-0.1 2,-0.5 -0.899 9.9-171.3-150.8 114.4 17.5 -22.3 19.0 71 130 A Y E -H 80 0A 142 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.931 6.0-177.9-107.8 124.2 16.4 -20.4 22.1 72 131 A V E +H 79 0A 10 7,-1.9 7,-1.2 -2,-0.5 2,-0.2 -0.789 5.4 177.1-130.9 92.5 16.5 -16.6 21.9 73 132 A P E +H 78 0A 62 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.563 1.6 171.6 -91.3 153.4 15.6 -14.7 25.1 74 133 A Y E > -H 77 0A 90 3,-2.5 2,-1.9 -2,-0.2 3,-1.2 -0.981 52.5 -69.9-155.8 158.7 15.6 -10.9 25.6 75 134 A T T 3 S+ 0 0 136 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.286 126.5 13.3 -56.1 83.6 14.5 -8.4 28.2 76 135 A Q T 3 S- 0 0 155 -2,-1.9 -1,-0.3 1,-0.3 2,-0.2 -0.077 128.6 -9.6 139.7 -38.8 10.7 -8.9 27.7 77 136 A G E < -H 74 0A 5 -3,-1.2 -3,-2.5 33,-0.1 -1,-0.3 -0.788 53.7-146.8-155.7-151.0 10.2 -12.0 25.6 78 137 A K E -HI 73 109A 34 31,-0.9 31,-2.9 -5,-0.2 2,-0.3 -0.971 10.4-135.4-178.2 172.7 11.8 -14.7 23.5 79 138 A W E -HI 72 108A 19 -7,-1.2 -7,-1.9 -2,-0.3 2,-0.4 -0.960 18.0-169.7-148.6 129.3 11.3 -17.0 20.6 80 139 A E E +HI 71 107A 67 27,-2.8 26,-2.6 -2,-0.3 27,-1.4 -0.904 19.4 147.7-117.4 148.3 12.2 -20.7 20.6 81 140 A G E -HI 70 105A 11 -11,-1.8 -11,-1.7 -2,-0.4 2,-0.4 -0.935 45.6 -96.3-159.2-162.4 12.3 -22.9 17.6 82 141 A E E -HI 69 104A 85 22,-1.5 22,-2.2 -2,-0.3 2,-0.3 -0.937 42.1-122.5-130.4 135.3 13.8 -25.8 15.7 83 142 A L E + I 0 103A 2 -15,-2.4 -17,-1.5 -2,-0.4 -16,-0.6 -0.621 44.6 149.8 -82.5 143.6 16.4 -25.0 13.2 84 143 A G E -HI 65 102A 3 18,-1.9 18,-2.4 -2,-0.3 2,-0.3 -0.886 35.0-126.0-152.1-166.8 15.8 -26.1 9.6 85 144 A T E +HI 64 101A 19 -21,-2.3 -21,-2.6 16,-0.3 2,-0.3 -0.991 32.0 146.0-150.2 146.5 16.4 -25.5 6.0 86 145 A D E - 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