==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-AUG-09 3INF . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.OLLAND,R.CHOPRA . 367 6 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 68.7 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 . 113 30.8 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 . 2 0.5 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 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.1 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 3 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 4 4 2 2 5 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 60 A S > 0 0 100 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 156.2 15.1 -6.2 -13.2 2 61 A F G >> + 0 0 70 1,-0.2 3,-2.0 2,-0.2 4,-0.7 0.718 360.0 79.1 -68.5 -21.8 14.7 -3.9 -10.1 3 62 A V G >4 S+ 0 0 105 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.835 88.6 56.2 -56.1 -34.6 11.3 -2.5 -11.3 4 63 A E G <4 S+ 0 0 146 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.575 104.0 54.8 -77.7 -7.2 9.5 -5.6 -10.1 5 64 A M G X4 S+ 0 0 12 -3,-2.0 3,-1.7 -4,-0.2 166,-0.6 0.558 80.9 113.3 -97.8 -11.1 10.9 -5.1 -6.6 6 65 A V T << S+ 0 0 59 -3,-0.8 164,-0.1 -4,-0.7 -3,-0.0 -0.392 88.5 7.3 -62.8 135.4 9.6 -1.5 -6.3 7 66 A D T 3 S+ 0 0 80 147,-0.1 -1,-0.3 1,-0.1 163,-0.2 0.724 85.6 135.6 64.4 24.3 6.9 -1.2 -3.7 8 67 A N < + 0 0 16 -3,-1.7 12,-0.6 82,-0.1 2,-0.4 0.481 53.0 81.1 -80.8 0.3 7.6 -4.8 -2.6 9 68 A L E +AB 19 169A 0 160,-2.6 160,-1.4 10,-0.1 2,-0.3 -0.864 53.1 167.0-108.3 140.0 7.4 -3.6 1.0 10 69 A R E +AB 18 168A 100 8,-2.0 8,-3.5 -2,-0.4 2,-0.3 -0.924 8.5 138.8-137.6 164.3 4.4 -3.0 3.1 11 70 A G E -AB 17 167A 3 156,-1.3 156,-3.0 -2,-0.3 2,-0.4 -0.970 47.2 -93.4 178.7-179.2 3.7 -2.4 6.8 12 71 A K E > - B 0 166A 57 4,-0.6 3,-3.1 -2,-0.3 4,-0.3 -0.937 59.0 -86.7-112.6 138.6 1.8 -0.5 9.4 13 72 A S T 3 S+ 0 0 10 152,-3.0 216,-0.0 -2,-0.4 -1,-0.0 -0.158 115.6 8.3 -46.2 126.5 3.5 2.6 10.9 14 73 A G T 3 S+ 0 0 26 215,-0.1 -1,-0.3 1,-0.1 215,-0.2 0.367 111.7 87.1 85.2 -5.9 5.7 1.5 13.8 15 74 A Q S < S- 0 0 32 -3,-3.1 -2,-0.2 1,-0.3 96,-0.1 0.277 94.5-106.9-115.4 11.5 5.3 -2.2 13.0 16 75 A G - 0 0 14 -4,-0.3 -4,-0.6 -5,-0.1 2,-0.5 0.043 31.4 -79.0 92.3 164.1 8.1 -2.7 10.5 17 76 A Y E -A 11 0A 7 17,-0.4 17,-3.1 209,-0.3 2,-0.3 -0.889 45.8-166.8-104.6 131.8 8.3 -3.2 6.8 18 77 A Y E -AC 10 33A 27 -8,-3.5 -8,-2.0 -2,-0.5 2,-0.4 -0.870 10.9-154.5-121.1 152.5 7.7 -6.7 5.5 19 78 A V E -AC 9 32A 1 13,-2.6 13,-2.9 -2,-0.3 2,-0.3 -0.929 29.9-109.7-119.6 144.7 8.2 -8.3 2.2 20 79 A E E + C 0 31A 68 -12,-0.6 70,-0.5 -2,-0.4 2,-0.3 -0.581 45.4 169.3 -71.8 134.2 6.2 -11.3 0.9 21 80 A M E - C 0 30A 0 9,-3.2 9,-2.8 -2,-0.3 2,-0.4 -0.923 24.6-140.3-134.6 165.2 8.2 -14.6 0.8 22 81 A T E -DC 87 29A 18 65,-2.5 65,-2.2 -2,-0.3 2,-0.4 -0.965 13.3-166.2-123.0 149.8 7.4 -18.2 0.3 23 82 A V E > -DC 86 28A 0 5,-1.6 5,-1.9 -2,-0.4 63,-0.2 -0.995 48.4 -2.3-132.0 139.7 8.9 -21.1 2.1 24 83 A G T 5S- 0 0 6 61,-2.6 4,-0.1 -2,-0.4 36,-0.1 -0.093 91.4 -40.0 81.7-178.1 8.8 -24.8 1.2 25 84 A S T 5S+ 0 0 30 2,-0.2 36,-2.6 1,-0.1 37,-0.3 -0.986 129.2 32.4-137.2 121.3 7.1 -26.8 -1.5 26 85 A P T 5S- 0 0 96 0, 0.0 -3,-0.1 0, 0.0 36,-0.1 0.624 119.6-101.8 -61.9 160.9 4.4 -26.1 -2.4 27 86 A P T 5 - 0 0 86 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.325 30.9-151.1 -59.6 130.7 5.2 -22.5 -1.6 28 87 A Q E < -C 23 0A 24 -5,-1.9 -5,-1.6 -4,-0.1 2,-0.3 -0.929 17.4-133.8-102.8 119.6 3.8 -21.3 1.7 29 88 A T E +C 22 0A 58 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.576 34.9 162.7 -77.0 129.6 3.1 -17.5 1.5 30 89 A L E -C 21 0A 2 -9,-2.8 -9,-3.2 -2,-0.3 2,-0.5 -0.996 37.8-126.1-143.9 146.2 4.3 -15.5 4.4 31 90 A N E -C 20 0A 13 -2,-0.3 86,-3.8 -11,-0.2 87,-0.8 -0.839 33.3-163.9 -91.1 129.8 4.9 -11.8 5.1 32 91 A I E -Ce 19 118A 0 -13,-2.9 -13,-2.6 -2,-0.5 87,-0.3 -0.955 19.4-118.9-127.2 125.3 8.5 -11.4 6.5 33 92 A L E -Ce 18 119A 12 85,-3.2 87,-3.5 -2,-0.4 2,-0.8 -0.352 23.0-132.7 -63.3 129.3 10.0 -8.4 8.3 34 93 A V E + e 0 120A 2 -17,-3.1 2,-0.5 85,-0.2 -17,-0.4 -0.759 35.6 177.9 -85.4 112.5 12.9 -6.9 6.5 35 94 A D E > + e 0 121A 14 85,-2.4 87,-3.0 -2,-0.8 3,-0.9 -0.887 29.5 175.8-130.9 102.3 15.5 -6.5 9.3 36 95 A T T 3 S+ 0 0 0 -2,-0.5 160,-0.5 1,-0.2 188,-0.2 0.448 80.4 71.2 -80.6 2.2 19.0 -5.2 8.9 37 96 A G T 3 S+ 0 0 13 158,-0.1 2,-0.3 86,-0.1 -1,-0.2 0.226 100.7 36.4-104.9 13.6 19.5 -5.4 12.7 38 97 A S < - 0 0 33 -3,-0.9 85,-3.4 82,-0.1 90,-0.1 -0.949 62.7-141.6-156.0 174.6 19.6 -9.2 12.9 39 98 A S + 0 0 1 88,-0.4 2,-0.4 -2,-0.3 98,-0.2 0.236 62.6 95.7-134.7 13.9 20.9 -12.2 11.1 40 99 A N - 0 0 12 96,-0.1 81,-1.6 87,-0.1 2,-1.0 -0.881 62.3-139.0-106.9 140.6 18.4 -15.1 11.3 41 100 A F E +F 120 0A 6 -2,-0.4 60,-2.6 79,-0.2 2,-0.5 -0.859 41.3 173.6 -85.9 100.3 15.7 -16.1 8.9 42 101 A A E -Fg 119 101A 3 77,-2.2 77,-3.5 -2,-1.0 2,-0.4 -0.961 7.2-179.3-121.0 122.5 13.2 -16.8 11.7 43 102 A V E -Fg 118 102A 0 58,-2.5 60,-2.8 -2,-0.5 75,-0.3 -0.962 36.1-104.5-131.4 134.0 9.6 -17.7 10.8 44 103 A G E + g 0 103A 0 73,-3.1 11,-3.0 -2,-0.4 60,-0.2 -0.311 40.7 171.5 -51.3 129.1 6.5 -18.5 12.8 45 104 A A + 0 0 8 58,-2.8 12,-0.2 9,-0.2 -1,-0.1 0.115 56.1 45.3-135.8 19.2 6.1 -22.2 12.5 46 105 A A S S- 0 0 25 57,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.971 98.9 -72.1-156.9 154.6 3.3 -23.0 15.0 47 106 A P + 0 0 94 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.136 52.2 171.8 -50.2 143.6 -0.1 -21.4 15.9 48 107 A H > - 0 0 39 3,-0.4 3,-1.6 -4,-0.1 5,-0.1 -0.965 43.0-118.3-154.2 143.1 0.1 -18.1 17.7 49 108 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.792 116.6 45.1 -55.9 -30.2 -2.7 -15.6 18.6 50 109 A F T 3 S+ 0 0 80 62,-0.1 2,-0.5 -3,-0.0 63,-0.3 0.538 99.0 85.2 -91.3 -8.3 -1.0 -12.9 16.4 51 110 A L < - 0 0 15 -3,-1.6 -3,-0.4 1,-0.1 3,-0.1 -0.824 48.3-177.3 -97.3 127.9 -0.3 -15.2 13.5 52 111 A H S S+ 0 0 173 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.506 81.5 9.1 -96.4 -7.6 -3.1 -15.8 10.9 53 112 A R S S- 0 0 90 -7,-0.1 2,-0.3 -5,-0.1 -1,-0.3 -0.958 71.0-172.8-161.6 158.2 -0.8 -18.2 9.1 54 113 A Y - 0 0 59 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.970 36.5 -80.0-153.3 165.3 2.5 -19.9 9.8 55 114 A Y - 0 0 1 -11,-3.0 2,-0.7 -2,-0.3 3,-0.1 -0.548 37.0-162.6 -73.2 123.9 5.2 -22.1 8.2 56 115 A Q > - 0 0 54 -2,-0.4 3,-1.8 1,-0.2 4,-0.3 -0.858 8.6-172.7-113.7 95.8 4.2 -25.8 8.3 57 116 A R G > S+ 0 0 42 -2,-0.7 3,-1.7 1,-0.3 6,-0.3 0.828 85.3 62.3 -57.3 -32.4 7.3 -27.9 7.8 58 117 A Q G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.723 99.7 54.3 -67.2 -23.2 5.1 -31.0 7.5 59 118 A L G < S+ 0 0 95 -3,-1.8 2,-0.6 1,-0.0 -1,-0.3 0.441 94.4 89.8 -86.7 -1.7 3.4 -29.5 4.4 60 119 A S X - 0 0 12 -3,-1.7 3,-0.7 -4,-0.3 -36,-0.1 -0.873 54.1-168.8-108.2 119.8 6.8 -29.1 2.8 61 120 A S T 3 S+ 0 0 102 -36,-2.6 -1,-0.1 -2,-0.6 -3,-0.0 0.663 92.2 50.2 -72.6 -16.5 8.3 -31.8 0.6 62 121 A T T 3 S+ 0 0 32 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.2 0.385 79.1 121.7-109.2 1.9 11.7 -29.9 0.6 63 122 A Y < - 0 0 49 -3,-0.7 2,-0.4 -6,-0.3 21,-0.2 -0.433 41.9-167.2 -63.3 133.9 12.0 -29.3 4.3 64 123 A R E -H 83 0A 152 19,-2.6 19,-2.6 -2,-0.2 2,-0.3 -0.990 16.1-133.1-128.9 125.5 15.2 -30.8 5.8 65 124 A D E -H 82 0A 81 -2,-0.4 17,-0.3 17,-0.2 16,-0.0 -0.570 11.7-166.6 -78.0 128.9 15.7 -31.1 9.5 66 125 A L E - 0 0 70 15,-2.1 16,-0.2 -2,-0.3 -1,-0.1 0.463 33.8-134.8 -88.4 0.2 19.0 -29.9 10.9 67 126 A R E + 0 0 210 14,-0.4 2,-0.3 1,-0.2 15,-0.1 0.929 67.2 111.6 43.4 57.1 18.1 -31.6 14.2 68 127 A K E -H 81 0A 111 13,-0.5 13,-3.5 2,-0.0 -2,-0.2 -0.963 55.6-142.9-156.0 137.2 19.2 -28.6 16.2 69 128 A G E -H 80 0A 50 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.532 5.7-150.2 -98.3 167.8 17.3 -26.1 18.3 70 129 A V E -H 79 0A 6 9,-2.4 9,-2.4 -2,-0.2 2,-0.5 -0.996 6.3-167.9-139.2 134.7 17.7 -22.4 18.8 71 130 A Y E -H 78 0A 132 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.979 5.2-179.1-125.9 119.8 16.9 -20.4 21.9 72 131 A V E +H 77 0A 9 5,-3.2 5,-1.9 -2,-0.5 2,-0.2 -0.761 5.0 173.6-125.5 88.1 16.8 -16.6 21.7 73 132 A P 0 0 59 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.588 360.0 360.0 -83.7 153.5 16.0 -14.8 25.0 74 133 A Y 0 0 166 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.930 360.0 360.0-164.3 360.0 16.3 -11.0 25.1 75 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 137 A K 0 0 54 0, 0.0 31,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 172.0 12.0 -14.3 23.5 77 138 A W E -HI 72 106A 16 -5,-1.9 -5,-3.2 29,-0.2 2,-0.3 -0.992 360.0-175.6-148.4 153.9 11.7 -16.9 20.8 78 139 A E E +HI 71 105A 71 27,-2.4 26,-1.8 -2,-0.3 27,-1.6 -0.985 14.8 149.6-145.0 155.3 12.8 -20.5 20.2 79 140 A G E -HI 70 103A 6 -9,-2.4 -9,-2.4 -2,-0.3 2,-0.4 -0.907 41.1 -85.6-164.8-170.1 12.7 -22.8 17.3 80 141 A E E -HI 69 102A 84 22,-1.7 22,-2.6 -2,-0.3 2,-0.3 -0.956 37.6-126.6-123.0 133.9 14.1 -25.7 15.4 81 142 A L E +HI 68 101A 3 -13,-3.5 -15,-2.1 -2,-0.4 -13,-0.5 -0.588 44.7 136.1 -83.8 139.3 16.7 -25.3 12.8 82 143 A G E -HI 65 100A 0 18,-1.7 18,-3.1 -2,-0.3 2,-0.3 -0.932 42.9-117.2-160.0 178.7 16.2 -26.7 9.3 83 144 A T E +HI 64 99A 18 -19,-2.6 -19,-2.6 -2,-0.3 2,-0.3 -0.935 33.5 159.1-124.3 154.2 16.6 -25.8 5.7 84 145 A D E - 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