==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-07 2VIY . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.CLARKE,E.DEMONT,C.DINGWALL,R.DUNSDON,A.FALLER,J.HAWKINS, . 372 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 67.2 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 . 111 29.8 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 . 44 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.7 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 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 . 2 3 4 2 3 4 1 0 0 0 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 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 62 A E 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.6 4.0 -6.0 25.6 2 63 A M > + 0 0 42 159,-0.0 3,-1.4 2,-0.0 160,-0.5 0.641 360.0 109.1 -95.6 -19.7 7.0 -4.2 27.1 3 64 A V T 3 S+ 0 0 65 1,-0.3 158,-0.1 158,-0.1 160,-0.0 -0.349 87.5 12.5 -58.6 133.5 6.9 -6.2 30.4 4 65 A D T 3 S+ 0 0 85 149,-0.1 -1,-0.3 1,-0.1 157,-0.2 0.771 83.7 133.9 70.9 28.2 9.9 -8.6 30.6 5 66 A N < + 0 0 17 -3,-1.4 12,-0.5 84,-0.1 2,-0.4 0.355 51.4 80.8 -91.4 7.1 11.7 -7.0 27.7 6 67 A L E +AB 16 160A 0 154,-2.3 154,-1.2 10,-0.1 2,-0.3 -0.876 52.5 173.0-110.5 146.7 15.0 -7.0 29.5 7 68 A R E +AB 15 159A 110 8,-2.0 8,-2.9 -2,-0.4 2,-0.3 -0.886 9.1 143.3-134.5 171.0 17.5 -9.8 30.0 8 69 A G E -AB 14 158A 4 150,-1.7 150,-3.7 -2,-0.3 2,-0.4 -0.964 43.9-102.4 178.2 176.2 21.0 -10.1 31.4 9 70 A K > - 0 0 86 4,-0.7 3,-2.4 -2,-0.3 4,-0.3 -0.966 57.5 -87.9-113.5 141.2 23.5 -12.0 33.4 10 71 A S T 3 S+ 0 0 30 -2,-0.4 288,-0.1 1,-0.3 210,-0.0 -0.127 111.2 6.1 -47.0 133.2 24.2 -11.0 37.0 11 72 A G T 3 S+ 0 0 24 1,-0.1 -1,-0.3 209,-0.1 209,-0.1 0.483 114.4 85.1 75.3 1.7 26.9 -8.3 37.2 12 73 A Q S < S- 0 0 55 -3,-2.4 -2,-0.2 1,-0.3 98,-0.1 0.339 96.7 -98.3-120.6 4.7 27.1 -7.9 33.5 13 74 A G - 0 0 15 -4,-0.3 -4,-0.7 17,-0.1 2,-0.4 -0.036 29.3 -91.0 101.2 158.4 24.3 -5.4 32.7 14 75 A Y E -A 8 0A 10 17,-0.3 17,-2.7 203,-0.3 2,-0.3 -0.906 42.4-167.5-107.9 138.4 20.6 -5.5 31.6 15 76 A Y E -AC 7 30A 26 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.3 -0.925 13.8-154.3-131.6 153.3 19.9 -5.3 27.8 16 77 A V E -AC 6 29A 0 13,-2.6 13,-2.8 -2,-0.3 2,-0.3 -0.898 31.6-106.3-119.9 149.8 16.9 -4.7 25.6 17 78 A E E + C 0 28A 66 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.597 45.3 168.2 -77.3 135.2 16.6 -5.9 21.9 18 79 A M E - C 0 27A 1 9,-2.8 9,-2.9 -2,-0.3 2,-0.4 -0.925 24.8-140.4-135.3 163.7 16.9 -3.1 19.3 19 80 A T E -DC 86 26A 12 67,-2.2 67,-2.0 -2,-0.3 2,-0.4 -0.973 14.7-168.6-122.3 148.2 17.2 -2.9 15.6 20 81 A V E > +DC 85 25A 1 5,-2.1 5,-2.2 -2,-0.4 65,-0.2 -0.993 45.5 7.5-131.5 141.8 19.4 -0.5 13.6 21 82 A G T 5S- 0 0 4 63,-2.5 36,-0.1 -2,-0.4 4,-0.1 -0.127 89.0 -46.3 91.0 176.1 19.5 0.3 9.9 22 83 A S T 5S+ 0 0 29 1,-0.2 36,-2.2 2,-0.1 37,-0.3 -0.978 131.1 30.3-134.0 118.9 17.5 -0.6 6.8 23 84 A P T 5S- 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.622 121.1-102.6 -65.7 160.2 16.8 -3.5 6.6 24 85 A P T 5 - 0 0 88 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.260 30.0-155.4 -61.8 132.2 16.8 -3.8 10.4 25 86 A Q E < -C 20 0A 31 -5,-2.2 -5,-2.1 -4,-0.1 2,-0.3 -0.947 17.8-134.3-105.8 122.6 19.8 -5.4 12.1 26 87 A T E +C 19 0A 53 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.589 32.5 165.6 -81.2 133.7 18.9 -6.9 15.4 27 88 A L E -C 18 0A 3 -9,-2.9 -9,-2.8 -2,-0.3 2,-0.5 -0.991 36.5-122.3-142.9 148.2 21.3 -6.2 18.4 28 89 A N E -C 17 0A 23 -2,-0.3 88,-2.9 -11,-0.2 89,-1.1 -0.818 33.3-161.8 -90.9 130.8 21.1 -6.5 22.2 29 90 A I E -Ce 16 117A 0 -13,-2.8 -13,-2.6 -2,-0.5 89,-0.3 -0.948 16.2-127.4-126.1 124.5 21.7 -3.2 23.9 30 91 A L E -Ce 15 118A 12 87,-2.8 89,-3.7 -2,-0.5 2,-0.7 -0.466 24.3-130.2 -69.6 132.5 22.7 -2.5 27.5 31 92 A V E + e 0 119A 2 -17,-2.7 2,-0.5 -2,-0.2 -17,-0.3 -0.755 31.9 179.6 -87.5 115.1 20.4 -0.0 29.2 32 93 A D E > + e 0 120A 8 87,-2.4 89,-2.7 -2,-0.7 3,-0.9 -0.895 25.5 175.3-128.3 102.9 22.5 2.6 30.8 33 94 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.5 1,-0.2 182,-0.2 0.486 81.0 71.8 -80.0 0.6 21.1 5.6 32.8 34 95 A G T 3 S+ 0 0 12 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.297 102.0 32.5 -99.6 9.2 24.7 6.5 33.6 35 96 A S < - 0 0 10 -3,-0.9 87,-3.0 84,-0.2 92,-0.1 -0.924 61.7-142.5-152.1 178.0 25.7 7.7 30.2 36 97 A S + 0 0 3 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.296 63.4 99.4-135.4 7.8 24.2 9.5 27.2 37 98 A N - 0 0 6 89,-0.1 83,-1.2 98,-0.1 2,-0.6 -0.850 57.1-146.8 -99.5 135.9 25.7 7.9 24.0 38 99 A F E +F 119 0A 8 -2,-0.4 62,-2.3 81,-0.2 2,-0.3 -0.906 35.5 164.4 -94.5 118.7 24.0 5.3 21.9 39 100 A A E -Fg 118 100A 0 79,-2.3 79,-3.1 -2,-0.6 2,-0.3 -0.989 18.4-171.4-141.7 144.8 26.9 3.1 20.6 40 101 A V E -Fg 117 101A 0 60,-2.4 62,-2.9 -2,-0.3 77,-0.3 -0.988 37.4 -96.8-137.2 145.1 27.1 -0.4 19.0 41 102 A G E + g 0 102A 1 75,-3.3 11,-3.3 -2,-0.3 62,-0.1 -0.405 40.9 174.9 -53.9 133.8 29.9 -2.7 18.1 42 103 A A + 0 0 9 60,-2.2 12,-0.2 9,-0.3 -1,-0.1 0.118 58.4 42.1-135.5 18.2 30.5 -2.1 14.4 43 104 A A S S- 0 0 31 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.968 99.3 -70.3-157.3 160.0 33.5 -4.3 13.7 44 105 A P + 0 0 101 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.184 50.0 171.9 -57.6 143.7 34.6 -7.8 14.8 45 106 A H > - 0 0 56 3,-0.3 3,-1.9 -4,-0.1 59,-0.0 -0.978 42.5-118.5-150.8 144.3 35.6 -8.4 18.4 46 107 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.790 115.7 43.3 -54.6 -28.9 36.4 -11.7 20.2 47 108 A F T 3 S+ 0 0 72 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.408 93.9 95.8-100.6 -0.2 33.5 -11.1 22.6 48 109 A L < - 0 0 20 -3,-1.9 -3,-0.3 1,-0.1 3,-0.1 -0.819 49.2-169.2 -96.3 127.9 30.9 -10.0 20.0 49 110 A H S S- 0 0 130 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.783 79.9 -6.4 -77.6 -29.9 28.4 -12.5 18.5 50 111 A R - 0 0 89 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.948 67.9-159.2-155.9 168.9 27.4 -9.9 16.0 51 112 A Y - 0 0 75 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.3 -0.986 34.2 -80.6-156.2 163.5 27.9 -6.3 15.1 52 113 A Y - 0 0 2 -11,-3.3 2,-0.8 -2,-0.3 -31,-0.1 -0.495 36.0-159.7 -69.5 122.7 26.5 -3.3 13.2 53 114 A Q > - 0 0 65 -2,-0.3 3,-1.6 1,-0.2 4,-0.3 -0.841 8.1-174.9-109.1 96.8 27.3 -3.5 9.5 54 115 A R G > S+ 0 0 60 -2,-0.8 3,-1.6 1,-0.3 6,-0.2 0.811 78.7 65.2 -63.1 -32.2 26.9 0.0 8.1 55 116 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.727 99.5 54.4 -64.2 -21.0 27.5 -1.0 4.5 56 117 A L G < S+ 0 0 101 -3,-1.6 2,-0.6 1,-0.0 -1,-0.3 0.497 91.6 85.6 -90.5 -5.6 24.3 -3.1 4.6 57 118 A S X - 0 0 10 -3,-1.6 3,-0.7 -4,-0.3 -36,-0.1 -0.872 54.3-168.6-104.8 120.2 22.1 -0.1 5.7 58 119 A S T 3 S+ 0 0 108 -36,-2.2 -1,-0.1 -2,-0.6 -4,-0.0 0.700 89.7 53.5 -74.3 -18.6 20.7 2.1 3.0 59 120 A T T 3 S+ 0 0 30 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.460 79.8 116.4 -99.8 -3.3 19.6 4.7 5.6 60 121 A Y < - 0 0 52 -3,-0.7 2,-0.4 -6,-0.2 23,-0.2 -0.427 45.1-166.3 -65.6 137.1 22.9 5.1 7.4 61 122 A R E -H 82 0A 154 21,-2.5 21,-2.3 -2,-0.1 2,-0.3 -0.989 14.7-137.0-127.7 124.6 24.5 8.5 7.2 62 123 A D E -H 81 0A 65 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.617 7.4-162.2 -79.2 132.9 28.1 9.1 8.1 63 124 A L E - 0 0 57 17,-2.5 18,-0.2 -2,-0.3 -1,-0.1 0.450 30.8-131.5 -95.1 -2.1 28.7 12.3 10.2 64 125 A R E + 0 0 221 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.901 68.7 113.5 56.4 46.5 32.4 12.3 9.4 65 126 A K E - 0 0 114 15,-0.5 15,-3.1 2,-0.0 -2,-0.2 -0.977 57.3-139.6-151.3 129.4 33.3 12.8 13.1 66 127 A G E -H 79 0A 43 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.466 17.8-164.6 -84.7 163.1 35.1 10.5 15.5 67 128 A V E -H 78 0A 12 11,-2.2 11,-2.6 -2,-0.1 2,-0.4 -0.995 9.1-161.6-149.1 145.6 34.2 10.0 19.2 68 129 A Y E -H 77 0A 107 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.994 7.0-171.1-129.3 132.2 35.8 8.6 22.3 69 130 A V E -H 76 0A 8 7,-2.8 7,-1.9 -2,-0.4 2,-0.5 -0.943 2.5-168.9-131.1 113.7 34.0 7.5 25.4 70 131 A P E -H 75 0A 48 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.853 8.9-172.3 -95.7 129.5 35.6 6.5 28.8 71 132 A Y - 0 0 49 3,-3.0 3,-0.2 -2,-0.5 -36,-0.0 -0.614 44.1-100.8-104.9 173.5 33.5 4.9 31.5 72 133 A T S S+ 0 0 104 1,-0.3 2,-0.6 -2,-0.2 -1,-0.1 0.934 123.2 33.4 -53.0 -46.7 34.5 4.1 35.1 73 134 A Q S S- 0 0 142 1,-0.0 -1,-0.3 -3,-0.0 34,-0.0 -0.953 127.2 -19.7-114.5 112.6 34.9 0.6 33.6 74 135 A G - 0 0 17 -2,-0.6 -3,-3.0 -3,-0.2 2,-0.3 0.039 58.5-138.4 86.8 168.9 36.1 0.3 30.1 75 136 A K E -HI 70 106A 84 31,-1.5 31,-2.7 -5,-0.2 2,-0.3 -0.982 11.3-168.6-162.6 157.5 36.3 2.7 27.1 76 137 A W E -HI 69 105A 3 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.3 -0.980 10.4-148.0-147.9 161.5 35.7 2.7 23.3 77 138 A E E +HI 68 104A 79 27,-2.7 26,-2.0 -2,-0.3 27,-1.7 -0.958 29.3 148.7-128.3 152.6 36.3 4.9 20.2 78 139 A G E -HI 67 102A 8 -11,-2.6 -11,-2.2 -2,-0.3 2,-0.4 -0.925 42.9 -85.7-163.7-174.6 34.1 5.1 17.1 79 140 A E E -HI 66 101A 44 22,-1.8 22,-2.8 -2,-0.3 -13,-0.2 -0.926 39.1-129.3-113.8 132.9 32.7 6.9 14.2 80 141 A L E + I 0 100A 5 -15,-3.1 -17,-2.5 -2,-0.4 -16,-0.5 -0.546 43.0 132.8 -83.7 145.4 29.5 9.0 14.5 81 142 A G E -HI 62 99A 0 18,-1.5 18,-2.9 -19,-0.3 2,-0.3 -0.932 42.4-113.5-165.5-175.2 26.6 8.7 12.1 82 143 A T E +HI 61 98A 19 -21,-2.3 -21,-2.5 -2,-0.3 2,-0.3 -0.957 33.6 153.2-133.7 157.0 22.8 8.4 12.1 83 144 A D E - I 0 97A 0 14,-1.7 14,-2.4 -2,-0.3 2,-0.3 -0.956 47.6 -70.5-165.7 176.1 20.4 5.7 11.1 84 145 A L E - I 0 96A 45 -2,-0.3 -63,-2.5 12,-0.2 2,-0.4 -0.629 47.2-170.5 -84.0 139.4 16.9 4.3 11.8 85 146 A V E +DI 20 95A 2 10,-2.7 10,-2.2 -2,-0.3 2,-0.3 -0.986 8.2 177.0-133.4 139.0 16.3 2.6 15.1 86 147 A S E -DI 19 94A 25 -67,-2.0 -67,-2.2 -2,-0.4 8,-0.1 -0.922 24.3-143.3-133.7 164.0 13.5 0.5 16.6 87 148 A I > - 0 0 8 4,-0.5 3,-2.4 6,-0.5 -69,-0.2 -0.891 12.5-161.3-126.1 99.2 12.7 -1.3 19.8 88 149 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.841 92.3 36.5 -52.6 -40.1 10.7 -4.5 18.9 89 150 A H T 3 S+ 0 0 94 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.071 116.0 61.8-106.3 31.8 9.4 -5.0 22.4 90 151 A G S < S- 0 0 3 -3,-2.4 73,-0.1 1,-0.3 -87,-0.0 -0.461 108.7 -26.4-124.8-154.6 9.0 -1.3 23.2 91 152 A P - 0 0 26 0, 0.0 2,-1.7 0, 0.0 -4,-0.5 -0.293 67.7-115.8 -56.0 145.9 6.8 1.4 21.5 92 153 A Q S S+ 0 0 134 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.501 74.7 111.4 -89.6 70.2 6.1 0.6 17.9 93 154 A V - 0 0 47 -2,-1.7 -6,-0.5 -6,-0.2 2,-0.4 -0.897 56.3-139.7-135.8 162.5 7.9 3.5 16.3 94 155 A T E - 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