==== 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 3L59 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C STRICKLAND,Z ZHU . 779 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 67.3 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 . 226 29.0 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 . 2 0.3 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-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 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 7.7 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 . 6 8 6 4 6 8 0 1 1 0 1 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 56 0, 0.0 3,-0.3 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 105.6 36.5 -15.0 29.5 2 59 A S + 0 0 102 181,-0.3 3,-0.2 1,-0.2 182,-0.1 0.388 360.0 63.0 -99.8 1.5 33.7 -17.2 28.0 3 60 A F >> + 0 0 62 1,-0.1 3,-1.9 2,-0.1 4,-1.0 -0.378 54.2 149.7-122.5 54.5 32.5 -14.9 25.3 4 61 A V T 34 + 0 0 114 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.732 66.6 66.3 -58.5 -24.0 35.6 -14.6 23.1 5 62 A E T 34 S+ 0 0 100 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.709 110.0 35.8 -74.2 -17.1 33.5 -14.1 20.0 6 63 A M T X4 S+ 0 0 11 -3,-1.9 3,-1.2 171,-0.0 172,-0.7 0.542 89.1 109.9-111.3 -10.3 32.3 -10.7 21.3 7 64 A V T 3< S+ 0 0 33 -4,-1.0 170,-0.2 1,-0.3 87,-0.0 -0.472 89.3 10.8 -67.9 133.6 35.4 -9.5 23.1 8 65 A D T 3 S+ 0 0 89 -2,-0.2 -1,-0.3 149,-0.1 169,-0.2 0.775 84.7 131.4 70.9 27.3 37.1 -6.5 21.3 9 66 A N < + 0 0 18 -3,-1.2 12,-0.6 84,-0.1 2,-0.3 0.413 50.5 85.5 -90.5 3.0 34.1 -6.0 19.0 10 67 A L E -AB 20 176A 0 166,-2.3 165,-3.1 10,-0.1 166,-1.0 -0.781 50.7-179.0-108.6 149.7 34.0 -2.3 19.6 11 68 A R E +A 19 0A 71 8,-1.8 8,-2.8 -2,-0.3 2,-0.3 -0.934 37.4 59.0-137.4 159.1 35.8 0.7 18.0 12 69 A G E -A 18 0A 8 158,-0.5 2,-0.3 161,-0.3 6,-0.2 -0.866 63.5 -98.0 126.5-158.4 35.8 4.4 18.7 13 70 A K E >> -A 17 0A 66 4,-1.2 4,-2.4 -2,-0.3 3,-1.0 -0.975 35.0 -94.6-164.5 158.3 36.4 6.9 21.5 14 71 A S T 34 S+ 0 0 11 -2,-0.3 325,-0.2 1,-0.2 326,-0.1 0.843 118.2 53.2 -47.8 -42.5 34.5 8.9 24.1 15 72 A G T 34 S+ 0 0 26 1,-0.2 -1,-0.2 2,-0.1 221,-0.1 0.795 124.3 22.4 -68.5 -30.7 34.4 12.0 22.0 16 73 A Q T <4 S- 0 0 50 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.444 115.5-106.5-115.7 -3.1 32.8 10.5 18.9 17 74 A G E < -A 13 0A 9 -4,-2.4 -4,-1.2 17,-0.1 2,-0.4 0.031 25.3 -88.4 96.4 155.5 31.2 7.4 20.4 18 75 A Y E -A 12 0A 4 17,-0.4 17,-3.2 215,-0.3 2,-0.3 -0.883 44.7-168.7-104.7 131.9 31.8 3.7 20.5 19 76 A Y E -AC 11 34A 4 -8,-2.8 -8,-1.8 -2,-0.4 2,-0.3 -0.869 14.6-153.7-126.4 156.1 30.3 1.5 17.7 20 77 A V E -AC 10 33A 2 13,-2.7 13,-3.1 -2,-0.3 2,-0.3 -0.925 29.9-108.6-123.7 147.4 29.7 -2.1 16.9 21 78 A E E + C 0 32A 58 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.583 43.6 168.7 -78.1 136.6 29.4 -3.7 13.5 22 79 A M E - C 0 31A 0 9,-2.7 9,-2.7 -2,-0.3 2,-0.4 -0.905 24.9-137.3-139.6 166.2 25.9 -4.9 12.5 23 80 A T E -DC 90 30A 17 67,-2.5 67,-2.1 -2,-0.3 2,-0.4 -0.984 15.0-169.4-129.1 141.2 24.1 -6.1 9.3 24 81 A V E > +DC 89 29A 2 5,-2.1 5,-1.9 -2,-0.4 65,-0.2 -0.994 46.3 4.9-131.6 137.9 20.6 -5.2 8.1 25 82 A G T 5S- 0 0 5 63,-1.9 4,-0.1 -2,-0.4 36,-0.1 -0.117 88.4 -46.3 88.9 175.7 18.6 -6.7 5.3 26 83 A S T 5S+ 0 0 29 1,-0.2 36,-2.6 2,-0.1 37,-0.3 -0.978 131.1 31.1-134.3 116.3 18.8 -9.6 2.9 27 84 A P T 5S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.582 121.9-102.7 -65.9 154.9 21.4 -10.0 1.6 28 85 A P T 5 - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.233 30.2-153.0 -55.1 130.4 23.1 -8.5 4.7 29 86 A Q E < -C 24 0A 32 -5,-1.9 -5,-2.1 -4,-0.1 2,-0.3 -0.938 17.3-134.3-106.5 118.9 24.2 -4.8 4.5 30 87 A T E +C 23 0A 53 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.573 32.7 164.5 -79.7 132.0 27.1 -4.0 6.8 31 88 A L E -C 22 0A 3 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.5 -0.994 36.7-123.0-145.6 146.2 26.9 -0.9 8.9 32 89 A N E -C 21 0A 4 -2,-0.3 88,-2.8 -11,-0.2 89,-1.0 -0.810 33.1-159.9 -91.4 129.3 28.8 0.5 11.9 33 90 A I E -Ce 20 121A 1 -13,-3.1 -13,-2.7 -2,-0.5 89,-0.3 -0.938 15.7-125.2-122.6 123.6 26.4 1.3 14.8 34 91 A L E -Ce 19 122A 14 87,-2.9 89,-3.5 -2,-0.5 2,-0.7 -0.375 23.7-131.9 -61.7 128.7 26.9 3.6 17.8 35 92 A V E + e 0 123A 1 -17,-3.2 2,-0.5 87,-0.2 -17,-0.4 -0.760 33.3 175.3 -85.9 114.8 26.2 1.8 21.1 36 93 A D E > + e 0 124A 15 87,-2.3 89,-2.5 -2,-0.7 3,-1.0 -0.896 25.6 177.7-129.1 106.8 23.9 4.1 23.1 37 94 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.5 1,-0.2 194,-0.2 0.422 81.7 70.0 -82.1 3.4 22.5 3.1 26.5 38 95 A G T 3 S+ 0 0 14 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.255 100.5 40.7-103.5 11.0 20.9 6.6 26.7 39 96 A S < - 0 0 13 -3,-1.0 87,-2.9 84,-0.2 92,-0.1 -0.933 62.3-144.7-149.0 169.1 18.3 6.0 23.9 40 97 A S + 0 0 3 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.244 62.6 98.3-126.9 13.7 15.9 3.3 22.7 41 98 A N - 0 0 11 98,-0.1 83,-1.3 89,-0.1 2,-0.8 -0.865 57.6-146.3-108.8 138.6 15.7 3.5 18.9 42 99 A F E +F 123 0A 7 -2,-0.4 62,-2.3 81,-0.2 2,-0.4 -0.910 38.2 166.1 -96.3 113.0 17.6 1.5 16.4 43 100 A A E -Fg 122 104A 0 79,-2.2 79,-3.0 -2,-0.8 2,-0.4 -0.996 15.1-174.6-137.4 131.6 18.1 4.1 13.6 44 101 A V E -Fg 121 105A 0 60,-2.1 62,-2.7 -2,-0.4 77,-0.3 -0.952 36.5 -98.5-129.6 145.6 20.4 4.0 10.6 45 102 A G E + g 0 106A 1 75,-3.2 11,-2.9 -2,-0.4 62,-0.1 -0.380 40.7 172.2 -56.2 131.5 21.3 6.4 7.8 46 103 A A + 0 0 10 60,-2.7 12,-0.2 9,-0.2 -1,-0.1 0.202 57.3 51.7-128.8 11.8 19.2 5.4 4.8 47 104 A A S S- 0 0 29 59,-0.4 -1,-0.1 7,-0.1 7,-0.1 -0.991 97.7 -76.4-149.6 148.2 20.0 8.3 2.5 48 105 A P + 0 0 101 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.103 51.3 172.4 -46.2 134.0 23.2 10.0 1.1 49 106 A H B > -N 52 0B 47 3,-0.5 3,-2.6 -4,-0.1 5,-0.1 -0.983 42.3-121.5-148.9 135.9 24.9 12.2 3.6 50 107 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 0.695 114.7 47.7 -50.2 -21.3 28.4 14.0 3.3 51 108 A F T 3 S+ 0 0 90 64,-0.1 2,-0.5 1,-0.0 65,-0.3 0.383 100.4 76.0-103.3 3.1 29.5 12.2 6.5 52 109 A L B < -N 49 0B 18 -3,-2.6 -3,-0.5 1,-0.1 3,-0.1 -0.961 48.8-175.2-117.7 125.3 28.4 8.7 5.5 53 110 A H S S+ 0 0 135 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.369 81.5 19.9 -96.4 5.2 30.3 6.6 2.9 54 111 A R + 0 0 75 -5,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.963 66.6 177.7-166.2 152.5 27.5 4.0 3.2 55 112 A Y - 0 0 66 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.978 41.0 -76.0-156.3 164.5 23.9 3.7 4.2 56 113 A Y - 0 0 3 -11,-2.9 2,-0.8 -2,-0.3 -31,-0.1 -0.499 37.7-161.1 -67.9 121.8 20.9 1.3 4.5 57 114 A Q > - 0 0 64 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.856 7.1-173.5-110.5 98.5 19.3 0.7 1.1 58 115 A R G > S+ 0 0 45 -2,-0.8 3,-1.3 1,-0.3 6,-0.2 0.781 80.5 63.8 -61.5 -29.8 15.8 -0.6 1.7 59 116 A Q G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.611 100.9 54.1 -72.7 -9.6 15.1 -1.3 -2.0 60 117 A L G < S+ 0 0 95 -3,-1.7 2,-0.6 -33,-0.0 -1,-0.3 0.403 90.7 87.2-102.7 1.1 17.9 -3.8 -2.0 61 118 A S X - 0 0 11 -3,-1.3 3,-1.0 -4,-0.2 -36,-0.1 -0.903 56.2-164.6-107.1 120.1 16.6 -5.9 0.9 62 119 A S T 3 S+ 0 0 105 -36,-2.6 -1,-0.1 -2,-0.6 -4,-0.0 0.652 92.7 52.4 -73.7 -15.3 14.1 -8.7 0.1 63 120 A T T 3 S+ 0 0 30 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.338 79.3 124.8-102.6 5.2 13.1 -8.8 3.8 64 121 A Y < - 0 0 57 -3,-1.0 2,-0.4 -6,-0.2 23,-0.2 -0.425 41.1-165.7 -66.5 136.2 12.4 -5.1 4.2 65 122 A R E -H 86 0A 147 21,-2.3 21,-2.3 -2,-0.1 2,-0.4 -0.988 13.7-137.7-128.7 122.5 8.9 -4.3 5.6 66 123 A D E -H 85 0A 84 -2,-0.4 19,-0.2 19,-0.2 18,-0.1 -0.645 11.0-168.0 -80.9 126.9 7.5 -0.8 5.4 67 124 A L E - 0 0 73 17,-2.0 18,-0.2 -2,-0.4 -1,-0.1 0.487 29.8-136.8 -91.2 -3.3 5.6 0.3 8.5 68 125 A R E + 0 0 226 16,-0.5 2,-0.4 1,-0.2 17,-0.1 0.812 65.3 116.2 53.0 33.8 4.2 3.3 6.7 69 126 A K E -H 84 0A 98 15,-0.5 15,-3.1 2,-0.0 -2,-0.2 -0.998 55.1-142.3-135.9 135.1 4.9 5.5 9.7 70 127 A G E -H 83 0A 51 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.475 10.4-156.5 -91.0 165.8 7.3 8.5 10.1 71 128 A V E -H 82 0A 8 11,-2.1 11,-2.7 -2,-0.1 2,-0.5 -0.973 5.0-165.7-147.6 128.7 9.4 9.4 13.1 72 129 A Y E -H 81 0A 108 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.962 5.5-175.7-116.9 122.1 10.9 12.7 14.3 73 130 A V E -H 80 0A 0 7,-2.5 7,-2.1 -2,-0.5 2,-0.4 -0.881 4.4-172.2-123.7 102.2 13.6 12.8 16.9 74 131 A P E -H 79 0A 57 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.783 5.9-180.0 -94.6 128.8 14.7 16.3 18.1 75 132 A Y - 0 0 80 3,-3.5 37,-0.0 -2,-0.4 -2,-0.0 -0.409 44.3 -94.8-110.3-168.1 17.7 16.6 20.4 76 133 A T S S+ 0 0 147 -2,-0.2 3,-0.0 1,-0.1 -1,-0.0 0.879 121.1 2.9 -78.0 -39.6 19.4 19.7 21.9 77 134 A Q S S+ 0 0 131 34,-0.1 2,-0.2 35,-0.0 -1,-0.1 0.539 130.6 59.9-119.5 -18.4 22.0 20.0 19.2 78 135 A G + 0 0 8 34,-0.1 -3,-3.5 2,-0.0 2,-0.3 -0.679 51.4 179.3-115.0 168.3 20.9 17.2 16.9 79 136 A K E +HI 74 110A 90 31,-1.6 31,-3.8 -5,-0.3 2,-0.4 -0.903 0.9 178.3-164.9 132.0 17.9 16.2 15.0 80 137 A W E -HI 73 109A 1 -7,-2.1 -7,-2.5 -2,-0.3 2,-0.4 -0.999 8.9-162.5-142.6 139.0 17.0 13.2 12.7 81 138 A E E +HI 72 108A 71 27,-3.6 26,-2.3 -2,-0.4 27,-1.8 -0.933 22.0 163.4-117.5 141.0 13.8 12.3 10.8 82 139 A G E -HI 71 106A 6 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.5 -0.893 37.1-108.6-148.9-179.8 13.1 8.8 9.5 83 140 A E E -HI 70 105A 83 22,-2.0 22,-2.8 -2,-0.3 -13,-0.2 -0.971 35.9-128.0-118.5 125.5 10.7 6.2 8.1 84 141 A L E +HI 69 104A 1 -15,-3.1 -17,-2.0 -2,-0.5 -15,-0.5 -0.451 44.3 133.2 -75.9 142.0 9.8 3.2 10.3 85 142 A G E -HI 66 103A 2 18,-1.3 18,-3.1 -19,-0.2 2,-0.3 -0.929 41.9-115.0-166.2-177.1 10.1 -0.3 9.0 86 143 A T E +HI 65 102A 16 -21,-2.3 -21,-2.3 -2,-0.3 2,-0.3 -0.932 31.2 158.2-133.8 158.0 11.4 -3.8 10.0 87 144 A D E - 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