==== 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 21-DEC-09 3L5D . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.STRICKLAND,Z.ZHU . 775 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32890.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 28.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 2 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 . 88 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 8 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 . 4 8 5 5 6 9 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 4 0 0 0 0 0 0 0 0 2 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 58 A G 0 0 58 0, 0.0 3,-0.4 0, 0.0 180,-0.1 0.000 360.0 360.0 360.0 112.4 36.6 -15.0 29.5 2 59 A S + 0 0 105 178,-0.3 3,-0.2 1,-0.2 179,-0.1 0.417 360.0 61.4 -96.2 1.8 33.7 -17.1 28.2 3 60 A F >> + 0 0 62 1,-0.1 3,-2.1 2,-0.1 4,-1.1 -0.290 55.0 149.9-122.8 48.9 32.5 -14.7 25.4 4 61 A V T 34 + 0 0 115 -3,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.756 66.5 65.6 -52.3 -28.2 35.6 -14.5 23.2 5 62 A E T 34 S+ 0 0 93 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.783 109.6 37.7 -70.6 -20.8 33.6 -14.0 20.1 6 63 A M T X4 S+ 0 0 12 -3,-2.1 3,-1.3 168,-0.0 169,-0.8 0.575 89.1 110.2-103.9 -12.1 32.3 -10.6 21.4 7 64 A V T 3< S+ 0 0 35 -4,-1.1 167,-0.1 1,-0.3 -3,-0.0 -0.411 88.5 10.8 -65.2 137.2 35.5 -9.4 23.1 8 65 A D T 3 S+ 0 0 89 146,-0.1 -1,-0.3 -2,-0.1 166,-0.2 0.769 85.1 132.4 66.5 27.9 37.1 -6.5 21.3 9 66 A N < + 0 0 18 -3,-1.3 12,-0.6 81,-0.1 2,-0.3 0.398 49.6 84.9 -90.2 3.3 34.1 -5.9 19.0 10 67 A L E -AB 20 173A 0 163,-2.4 162,-2.9 10,-0.1 163,-0.9 -0.780 50.4-178.5-108.8 151.6 34.0 -2.2 19.6 11 68 A R E +A 19 0A 75 8,-1.7 8,-2.8 -2,-0.3 2,-0.3 -0.934 38.3 60.3-136.8 158.5 35.8 0.7 18.0 12 69 A G E -A 18 0A 8 155,-0.5 2,-0.3 -2,-0.3 6,-0.3 -0.842 62.0-101.9 126.5-162.1 35.7 4.4 18.6 13 70 A K E >> -A 17 0A 66 4,-1.3 4,-2.4 -2,-0.3 3,-0.7 -0.970 36.0 -92.0-162.9 163.2 36.4 6.9 21.4 14 71 A S T 34 S+ 0 0 11 -2,-0.3 322,-0.2 1,-0.2 323,-0.1 0.856 117.4 52.7 -52.8 -42.5 34.6 9.0 24.0 15 72 A G T 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.1 218,-0.1 0.783 125.1 21.8 -68.3 -29.9 34.3 12.2 21.9 16 73 A Q T <4 S- 0 0 52 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.472 114.9-107.9-116.3 -5.4 32.7 10.5 18.8 17 74 A G E < -A 13 0A 8 -4,-2.4 -4,-1.3 17,-0.1 2,-0.4 -0.030 23.9 -86.1 98.6 157.9 31.3 7.4 20.4 18 75 A Y E -A 12 0A 3 212,-0.4 17,-3.0 17,-0.3 2,-0.3 -0.875 45.0-169.6-103.4 134.4 31.8 3.7 20.5 19 76 A Y E -AC 11 34A 4 -8,-2.8 -8,-1.7 -2,-0.4 2,-0.3 -0.899 15.1-153.4-130.0 156.6 30.3 1.5 17.7 20 77 A V E -AC 10 33A 1 13,-2.5 13,-3.0 -2,-0.3 2,-0.3 -0.902 30.5-108.3-123.0 150.0 29.7 -2.1 16.9 21 78 A E E + C 0 32A 60 -12,-0.6 69,-0.4 -2,-0.3 2,-0.3 -0.627 43.2 171.1 -79.7 137.8 29.4 -3.7 13.5 22 79 A M E - C 0 31A 0 9,-3.0 9,-2.8 -2,-0.3 2,-0.4 -0.907 23.7-139.0-137.9 164.7 25.8 -4.8 12.5 23 80 A T E -DC 87 30A 15 64,-2.4 64,-2.0 -2,-0.3 2,-0.4 -0.982 15.1-170.4-127.8 143.5 24.1 -6.1 9.4 24 81 A V E > +DC 86 29A 0 5,-2.0 5,-2.0 -2,-0.4 62,-0.2 -0.993 46.2 7.7-132.1 139.5 20.6 -5.2 8.2 25 82 A G T 5S- 0 0 5 60,-2.0 4,-0.1 -2,-0.4 36,-0.1 -0.057 87.8 -48.3 87.7 172.8 18.6 -6.7 5.4 26 83 A S T 5S+ 0 0 31 1,-0.2 36,-2.7 2,-0.1 37,-0.3 -0.979 130.6 30.3-133.4 115.9 18.8 -9.7 3.1 27 84 A P T 5S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.596 121.9-101.3 -68.3 159.1 21.4 -10.0 1.7 28 85 A P T 5 - 0 0 87 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.228 29.6-155.5 -56.6 132.0 23.1 -8.4 4.7 29 86 A Q E < -C 24 0A 29 -5,-2.0 -5,-2.0 -4,-0.1 2,-0.3 -0.952 18.8-135.5-108.2 116.2 24.2 -4.8 4.5 30 87 A T E +C 23 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.539 31.1 168.2 -77.9 134.4 27.1 -4.1 6.9 31 88 A L E -C 22 0A 2 -9,-2.8 -9,-3.0 -2,-0.3 2,-0.5 -0.990 35.2-124.2-144.2 148.4 26.9 -0.9 9.0 32 89 A N E -C 21 0A 4 -2,-0.3 85,-3.2 -11,-0.2 86,-0.8 -0.848 34.3-161.4 -93.1 128.9 28.8 0.6 12.0 33 90 A I E -Ce 20 118A 0 -13,-3.0 -13,-2.5 -2,-0.5 86,-0.3 -0.953 18.1-122.4-125.9 124.4 26.4 1.4 14.8 34 91 A L E -Ce 19 119A 13 84,-3.1 86,-3.5 -2,-0.5 2,-0.8 -0.360 24.5-133.2 -57.9 124.4 26.8 3.7 17.8 35 92 A V E + e 0 120A 1 -17,-3.0 2,-0.5 84,-0.2 -17,-0.3 -0.748 33.9 177.9 -83.1 112.7 26.2 1.8 21.1 36 93 A D E > + e 0 121A 14 84,-2.4 86,-2.6 -2,-0.8 3,-1.0 -0.876 26.9 175.9-126.3 103.7 23.9 4.1 23.0 37 94 A T T 3 S+ 0 0 0 -2,-0.5 163,-0.5 1,-0.2 191,-0.2 0.514 80.7 68.9 -80.1 -0.5 22.5 3.2 26.5 38 95 A G T 3 S+ 0 0 13 161,-0.1 2,-0.3 85,-0.1 -1,-0.2 0.305 100.9 40.5 -99.2 8.0 20.9 6.6 26.6 39 96 A S < - 0 0 30 -3,-1.0 84,-2.8 81,-0.2 89,-0.1 -0.926 62.9-142.8-146.9 171.8 18.2 6.1 23.9 40 97 A S + 0 0 2 87,-0.4 2,-0.4 -2,-0.3 97,-0.2 0.319 63.1 96.2-126.5 9.1 15.9 3.3 22.7 41 98 A N - 0 0 13 95,-0.1 80,-1.5 86,-0.1 2,-0.7 -0.842 58.4-144.8-105.1 140.0 15.7 3.4 18.9 42 99 A F E +F 120 0A 7 -2,-0.4 59,-2.3 78,-0.2 2,-0.4 -0.914 39.1 166.8 -96.0 114.7 17.6 1.4 16.4 43 100 A A E -Fg 119 101A 0 76,-2.3 76,-3.1 -2,-0.7 2,-0.4 -0.998 14.7-173.8-138.8 134.0 18.1 4.0 13.6 44 101 A V E -Fg 118 102A 0 57,-2.2 59,-3.0 -2,-0.4 74,-0.3 -0.958 36.2 -98.0-131.8 145.9 20.3 4.0 10.6 45 102 A G E + g 0 103A 1 72,-3.2 11,-3.0 -2,-0.4 59,-0.1 -0.385 40.3 173.9 -56.1 133.2 21.3 6.4 7.8 46 103 A A + 0 0 12 57,-2.6 12,-0.2 9,-0.2 -1,-0.1 0.159 57.1 44.5-130.5 14.5 19.1 5.4 4.9 47 104 A A S S- 0 0 29 56,-0.3 7,-0.1 7,-0.1 -1,-0.1 -0.981 98.2 -68.6-155.6 156.8 19.9 8.2 2.4 48 105 A P + 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.133 52.6 171.0 -48.6 138.7 23.0 10.0 1.1 49 106 A H > - 0 0 46 3,-0.5 3,-2.6 -4,-0.1 5,-0.1 -0.956 43.5-120.5-155.3 135.5 24.8 12.3 3.6 50 107 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.710 115.5 45.1 -46.5 -26.5 28.2 14.2 3.5 51 108 A F T 3 S+ 0 0 89 61,-0.1 2,-0.5 62,-0.0 62,-0.3 0.371 99.6 80.5-103.3 2.6 29.4 12.2 6.5 52 109 A L < - 0 0 18 -3,-2.6 -3,-0.5 1,-0.1 3,-0.1 -0.936 45.4-178.0-112.7 127.8 28.2 8.7 5.5 53 110 A H S S+ 0 0 137 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.363 81.6 21.0-100.9 4.7 30.2 6.6 3.0 54 111 A R + 0 0 75 -5,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.970 66.6 177.2-163.2 155.0 27.4 3.9 3.3 55 112 A Y - 0 0 70 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.980 40.8 -77.4-158.6 162.4 23.8 3.7 4.3 56 113 A Y - 0 0 3 -11,-3.0 2,-0.8 -2,-0.3 -31,-0.1 -0.522 36.7-160.2 -68.1 121.9 20.8 1.3 4.5 57 114 A Q > - 0 0 65 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.847 7.4-174.1-111.4 95.8 19.2 0.6 1.1 58 115 A R G > S+ 0 0 44 -2,-0.8 3,-1.3 1,-0.3 6,-0.3 0.778 80.6 62.5 -56.9 -33.1 15.7 -0.7 1.8 59 116 A Q G 3 S+ 0 0 136 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.614 100.7 54.7 -74.0 -10.7 15.1 -1.4 -1.9 60 117 A L G < S+ 0 0 96 -3,-1.8 2,-0.6 -33,-0.0 -1,-0.3 0.393 91.0 87.9-100.3 0.8 17.9 -4.0 -1.9 61 118 A S X - 0 0 11 -3,-1.3 3,-0.9 -4,-0.2 -36,-0.1 -0.906 55.7-165.5-106.9 119.0 16.5 -6.0 1.1 62 119 A S T 3 S+ 0 0 105 -36,-2.7 -1,-0.1 -2,-0.6 -4,-0.0 0.669 93.0 52.2 -72.6 -17.6 14.1 -8.8 0.3 63 120 A T T 3 S+ 0 0 29 -37,-0.3 -1,-0.2 22,-0.1 2,-0.1 0.366 79.8 125.7-100.6 2.0 13.2 -8.9 4.0 64 121 A Y < - 0 0 58 -3,-0.9 2,-0.4 -6,-0.3 20,-0.2 -0.400 39.4-168.8 -61.5 132.7 12.4 -5.2 4.3 65 122 A R E -H 83 0A 144 18,-2.1 18,-2.2 -2,-0.1 2,-0.4 -0.990 13.9-140.3-129.7 122.1 8.9 -4.5 5.7 66 123 A D E -H 82 0A 81 -2,-0.4 16,-0.3 16,-0.2 15,-0.1 -0.685 8.6-165.1 -84.8 125.2 7.5 -0.9 5.6 67 124 A L E - 0 0 75 14,-2.1 15,-0.2 -2,-0.4 -1,-0.1 0.519 30.9-134.3 -85.0 -5.5 5.6 0.2 8.7 68 125 A R E + 0 0 229 13,-0.5 2,-0.4 1,-0.2 14,-0.1 0.843 67.6 115.2 56.3 36.3 4.1 3.2 6.8 69 126 A K E - 0 0 109 12,-0.5 12,-3.0 2,-0.0 -1,-0.2 -0.999 56.7-140.3-138.7 138.1 4.9 5.4 9.8 70 127 A G E -H 80 0A 49 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.515 10.7-153.7 -93.8 165.9 7.3 8.4 10.2 71 128 A V E -H 79 0A 8 8,-2.2 8,-2.6 -2,-0.2 2,-0.5 -0.994 4.0-164.9-143.0 132.6 9.4 9.1 13.2 72 129 A Y E +H 78 0A 110 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.974 7.4 179.0-121.4 121.0 10.7 12.5 14.4 73 130 A V E H 77 0A 30 4,-2.4 4,-2.4 -2,-0.5 -2,-0.0 -0.866 360.0 360.0-128.7 101.5 13.5 12.8 17.0 74 131 A P 0 0 99 0, 0.0 -2,-0.0 0, 0.0 4,-0.0 -0.643 360.0 360.0 -94.6 360.0 14.7 16.3 18.0 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 76 136 A K 0 0 118 0, 0.0 31,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.3 17.7 16.0 15.1 77 137 A W E -HI 73 106A 14 -4,-2.4 -4,-2.4 29,-0.3 2,-0.4 -0.999 360.0-160.4-137.6 140.3 16.9 13.1 12.8 78 138 A E E +HI 72 105A 72 27,-3.7 26,-2.0 -2,-0.4 27,-1.7 -0.931 23.5 159.7-117.5 142.2 13.8 12.2 10.9 79 139 A G E -HI 71 103A 6 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.5 -0.907 38.8-106.2-152.8-178.2 13.0 8.8 9.5 80 140 A E E -HI 70 102A 83 22,-2.2 22,-3.1 -2,-0.3 -10,-0.2 -0.971 36.3-129.2-118.9 125.5 10.7 6.1 8.2 81 141 A L E + I 0 101A 2 -12,-3.0 -14,-2.1 -2,-0.5 -13,-0.5 -0.466 43.3 131.3 -77.2 144.5 9.8 3.1 10.3 82 142 A G E -HI 66 100A 2 18,-1.2 18,-2.9 -16,-0.3 2,-0.3 -0.918 42.6-118.0-168.0-173.8 10.0 -0.5 9.1 83 143 A T E +HI 65 99A 16 -18,-2.2 -18,-2.1 16,-0.3 2,-0.3 -0.943 32.0 157.4-137.5 158.8 11.4 -3.9 10.2 84 144 A D E - 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