==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-APR-09 2WEZ . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.CHARRIER,B.CLARKE,L.CUTLER,E.DEMONT,C.DINGWALL,R.DUNSDON, . 372 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 68.3 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 . 114 30.6 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 . 47 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.5 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 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 4 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 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 0.7 3.7 -5.9 25.9 2 63 A M > + 0 0 38 159,-0.0 3,-1.3 162,-0.0 160,-0.7 0.538 360.0 113.0 -97.5 -11.1 6.8 -4.2 27.4 3 64 A V T 3 S+ 0 0 70 1,-0.3 158,-0.1 158,-0.1 160,-0.0 -0.403 86.1 9.3 -62.6 135.3 6.8 -6.3 30.6 4 65 A D T 3 S+ 0 0 83 149,-0.1 -1,-0.3 -2,-0.1 157,-0.2 0.799 84.3 134.8 64.7 31.6 9.7 -8.7 30.8 5 66 A N < + 0 0 16 -3,-1.3 12,-0.5 84,-0.1 2,-0.4 0.382 50.8 82.1 -91.2 5.2 11.5 -7.1 27.9 6 67 A L E +AB 16 160A 0 154,-2.6 154,-1.4 10,-0.1 2,-0.3 -0.872 51.8 172.5-109.1 145.1 14.8 -7.0 29.7 7 68 A R E +AB 15 159A 107 8,-2.0 8,-3.0 -2,-0.4 2,-0.3 -0.868 10.6 140.5-134.9 170.8 17.3 -9.8 30.1 8 69 A G E -AB 14 158A 4 150,-1.4 150,-3.2 -2,-0.3 2,-0.4 -0.972 45.4 -98.0 174.3 176.4 20.9 -10.0 31.5 9 70 A K > - 0 0 79 4,-0.8 3,-2.6 -2,-0.3 4,-0.2 -0.972 55.1 -92.8-115.5 139.6 23.5 -11.9 33.5 10 71 A S T 3 S+ 0 0 28 -2,-0.4 288,-0.1 1,-0.3 210,-0.0 -0.192 112.3 12.1 -51.1 132.6 24.0 -10.9 37.1 11 72 A G T 3 S+ 0 0 23 209,-0.1 -1,-0.3 1,-0.1 209,-0.1 0.443 114.1 82.2 81.5 -1.0 26.8 -8.3 37.4 12 73 A Q S < S- 0 0 52 -3,-2.6 -2,-0.2 1,-0.3 98,-0.1 0.197 95.9-102.3-126.1 16.0 26.8 -7.7 33.7 13 74 A G - 0 0 11 -4,-0.2 -4,-0.8 -5,-0.1 2,-0.4 0.011 31.6 -86.8 90.1 164.2 24.0 -5.2 33.0 14 75 A Y E -A 8 0A 7 17,-0.4 17,-2.9 203,-0.3 2,-0.3 -0.929 41.9-164.3-113.4 140.0 20.4 -5.5 31.7 15 76 A Y E -AC 7 30A 27 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.3 -0.910 11.8-154.7-130.4 153.2 19.7 -5.3 28.0 16 77 A V E -AC 6 29A 0 13,-2.5 13,-2.9 -2,-0.3 2,-0.3 -0.895 31.2-107.1-119.2 149.5 16.7 -4.7 25.7 17 78 A E E + C 0 28A 64 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.613 45.3 168.6 -77.3 135.4 16.3 -5.9 22.1 18 79 A M E - C 0 27A 0 9,-2.9 9,-2.9 -2,-0.3 2,-0.4 -0.925 24.8-140.4-136.2 162.6 16.6 -3.2 19.4 19 80 A T E -DC 86 26A 14 67,-2.3 67,-2.0 -2,-0.3 2,-0.4 -0.967 15.1-169.1-121.4 149.0 17.0 -3.0 15.7 20 81 A V E > +DC 85 25A 1 5,-2.1 5,-2.1 -2,-0.4 65,-0.2 -0.995 44.7 7.6-133.6 142.1 19.1 -0.5 13.7 21 82 A G T 5S- 0 0 4 63,-2.6 36,-0.1 -2,-0.4 4,-0.1 -0.087 88.1 -47.6 89.9 175.3 19.2 0.2 10.0 22 83 A S T 5S+ 0 0 29 1,-0.2 36,-2.3 2,-0.1 37,-0.4 -0.980 130.6 31.4-134.0 118.7 17.3 -0.6 6.9 23 84 A P T 5S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.612 121.0-102.7 -65.4 159.8 16.7 -3.5 6.6 24 85 A P T 5 - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.272 31.0-157.4 -63.9 132.7 16.6 -3.9 10.4 25 86 A Q E < -C 20 0A 30 -5,-2.1 -5,-2.1 -4,-0.1 2,-0.3 -0.952 17.2-134.8-108.4 121.5 19.5 -5.4 12.2 26 87 A T E +C 19 0A 53 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.586 31.9 165.8 -82.6 132.1 18.7 -6.9 15.6 27 88 A L E -C 18 0A 3 -9,-2.9 -9,-2.9 -2,-0.3 2,-0.5 -0.983 36.3-123.7-140.6 150.3 21.1 -6.2 18.4 28 89 A N E -C 17 0A 24 -2,-0.3 88,-3.2 -11,-0.2 89,-0.9 -0.867 32.6-162.8 -96.2 128.3 20.9 -6.5 22.2 29 90 A I E -Ce 16 117A 0 -13,-2.9 -13,-2.5 -2,-0.5 89,-0.3 -0.947 16.6-126.6-124.8 122.3 21.5 -3.2 23.9 30 91 A L E -Ce 15 118A 12 87,-2.8 89,-3.3 -2,-0.5 2,-0.6 -0.444 24.8-128.7 -68.5 134.5 22.4 -2.5 27.5 31 92 A V E + e 0 119A 2 -17,-2.9 2,-0.5 87,-0.2 -17,-0.4 -0.751 32.2 179.9 -88.4 116.5 20.1 -0.0 29.3 32 93 A D E > + e 0 120A 8 87,-2.5 89,-3.0 -2,-0.6 3,-0.9 -0.889 25.2 175.8-128.8 104.2 22.3 2.6 30.9 33 94 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.5 1,-0.2 182,-0.2 0.506 80.4 72.0 -79.5 -1.0 20.8 5.6 32.9 34 95 A G T 3 S+ 0 0 10 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.318 101.6 31.7 -97.9 8.1 24.4 6.6 33.8 35 96 A S < - 0 0 11 -3,-0.9 87,-2.8 84,-0.2 92,-0.1 -0.916 62.1-140.0-151.8 179.3 25.4 7.8 30.3 36 97 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.275 63.8 99.0-134.8 10.1 24.0 9.5 27.2 37 98 A N - 0 0 6 89,-0.1 83,-1.1 98,-0.1 2,-0.6 -0.861 56.3-147.5-103.1 137.6 25.5 8.0 24.2 38 99 A F E +F 119 0A 8 -2,-0.4 62,-2.5 81,-0.2 2,-0.3 -0.911 35.1 163.9 -97.3 118.4 23.9 5.3 22.1 39 100 A A E -Fg 118 100A 0 79,-2.3 79,-3.0 -2,-0.6 2,-0.3 -0.994 18.2-170.6-141.6 144.4 26.7 3.1 20.7 40 101 A V E -Fg 117 101A 0 60,-2.6 62,-2.9 -2,-0.3 77,-0.3 -0.984 36.6 -97.6-136.2 145.9 26.9 -0.3 19.2 41 102 A G E + g 0 102A 1 75,-3.3 11,-3.0 -2,-0.3 62,-0.1 -0.398 41.8 172.7 -55.3 136.3 29.7 -2.7 18.2 42 103 A A + 0 0 8 60,-2.3 12,-0.2 9,-0.2 -1,-0.1 0.167 57.3 46.6-140.4 14.4 30.3 -2.2 14.6 43 104 A A S S- 0 0 30 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.964 99.1 -74.5-150.2 159.4 33.4 -4.3 13.9 44 105 A P + 0 0 101 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.197 50.3 172.8 -58.3 145.1 34.4 -7.8 14.9 45 106 A H > - 0 0 56 3,-0.3 3,-1.9 -4,-0.1 59,-0.0 -0.976 41.8-118.6-151.9 145.2 35.4 -8.5 18.5 46 107 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.797 116.2 43.0 -55.7 -30.1 36.1 -11.7 20.3 47 108 A F T 3 S+ 0 0 68 64,-0.1 2,-0.5 -3,-0.0 67,-0.3 0.432 94.6 96.0 -98.2 -0.3 33.3 -11.1 22.7 48 109 A L < - 0 0 20 -3,-1.9 -3,-0.3 1,-0.1 3,-0.1 -0.818 49.5-170.2 -96.5 125.0 30.7 -10.0 20.1 49 110 A H S S- 0 0 126 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.764 79.4 -7.3 -77.6 -27.6 28.3 -12.5 18.7 50 111 A R - 0 0 90 -7,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.960 67.9-159.3-159.0 166.7 27.2 -10.0 16.1 51 112 A Y - 0 0 76 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.980 33.6 -82.0-153.5 164.0 27.7 -6.4 15.2 52 113 A Y - 0 0 2 -11,-3.0 2,-0.7 -2,-0.3 -31,-0.1 -0.527 34.9-158.0 -70.8 124.3 26.2 -3.4 13.3 53 114 A Q > - 0 0 64 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 -0.870 8.5-174.4-107.8 99.3 27.1 -3.5 9.6 54 115 A R G > S+ 0 0 60 -2,-0.7 3,-1.8 1,-0.3 6,-0.3 0.836 80.2 64.7 -63.1 -33.5 26.7 0.0 8.2 55 116 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.713 99.5 54.5 -64.6 -20.5 27.4 -1.1 4.7 56 117 A L G < S+ 0 0 98 -3,-1.4 2,-0.6 1,-0.0 -1,-0.3 0.443 92.2 84.3 -92.7 -2.1 24.2 -3.1 4.8 57 118 A S X - 0 0 10 -3,-1.8 3,-0.7 -4,-0.2 -36,-0.1 -0.904 54.5-168.1-109.0 119.5 21.9 -0.2 5.8 58 119 A S T 3 S+ 0 0 110 -36,-2.3 -1,-0.1 -2,-0.6 -4,-0.0 0.683 90.6 54.1 -75.0 -16.3 20.6 2.1 3.1 59 120 A T T 3 S+ 0 0 30 -37,-0.4 -1,-0.2 25,-0.1 2,-0.1 0.508 79.2 115.9 -99.5 -6.2 19.5 4.6 5.8 60 121 A Y < - 0 0 55 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.395 44.9-168.0 -62.1 136.5 22.8 4.9 7.6 61 122 A R E -H 82 0A 154 21,-2.5 21,-2.5 -2,-0.1 2,-0.3 -0.990 14.8-137.5-129.9 124.1 24.3 8.4 7.4 62 123 A D E -H 81 0A 62 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.615 6.6-161.7 -80.3 133.9 27.9 9.1 8.4 63 124 A L E - 0 0 60 17,-2.4 18,-0.2 -2,-0.3 -1,-0.1 0.443 31.9-130.8 -94.0 -1.1 28.5 12.3 10.4 64 125 A R E + 0 0 222 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.891 69.9 111.1 54.5 45.5 32.2 12.3 9.6 65 126 A K E - 0 0 119 15,-0.5 15,-3.1 2,-0.0 -2,-0.2 -0.975 57.9-140.2-149.3 131.6 33.2 12.8 13.3 66 127 A G E -H 79 0A 42 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.473 16.1-161.3 -87.2 164.4 34.9 10.4 15.7 67 128 A V E -H 78 0A 12 11,-2.4 11,-2.6 -2,-0.1 2,-0.4 -0.998 8.4-161.3-147.3 144.9 34.0 10.0 19.4 68 129 A Y E -H 77 0A 108 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.995 8.1-174.2-128.7 128.7 35.7 8.5 22.4 69 130 A V E -H 76 0A 8 7,-2.6 7,-2.0 -2,-0.4 2,-0.5 -0.938 3.3-172.1-130.2 110.7 33.9 7.5 25.6 70 131 A P E -H 75 0A 47 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.887 11.1-173.6 -96.0 124.4 35.7 6.3 28.8 71 132 A Y - 0 0 52 3,-2.6 3,-0.2 -2,-0.5 -36,-0.0 -0.446 45.8 -93.0-101.5-178.4 33.5 4.9 31.6 72 133 A T S S+ 0 0 99 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.933 124.0 27.0 -57.1 -47.3 34.3 3.9 35.1 73 134 A Q S S- 0 0 142 35,-0.0 -1,-0.3 1,-0.0 -2,-0.1 -0.984 126.5 -8.4-116.2 124.4 34.8 0.4 33.7 74 135 A G - 0 0 15 -2,-0.5 -3,-2.6 -3,-0.2 2,-0.3 0.109 58.6-142.7 84.6 163.3 35.8 0.1 30.0 75 136 A K E -HI 70 106A 85 31,-1.4 31,-2.7 -5,-0.2 2,-0.3 -0.973 11.1-171.1-160.1 156.4 36.1 2.5 27.1 76 137 A W E -HI 69 105A 3 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.3 -0.966 10.7-150.4-145.2 161.9 35.5 2.6 23.4 77 138 A E E +HI 68 104A 78 27,-2.8 26,-2.0 -2,-0.3 27,-1.6 -0.974 29.3 146.8-131.1 151.8 36.1 4.8 20.3 78 139 A G E -HI 67 102A 9 -11,-2.6 -11,-2.4 -2,-0.3 2,-0.5 -0.924 43.9 -83.5-164.4-174.9 33.9 5.0 17.3 79 140 A E E -HI 66 101A 43 22,-1.9 22,-2.7 -2,-0.3 -13,-0.2 -0.930 38.9-128.3-112.7 130.0 32.5 6.9 14.4 80 141 A L E + I 0 100A 6 -15,-3.1 -17,-2.4 -2,-0.5 -16,-0.5 -0.509 43.6 137.9 -77.1 143.7 29.3 9.0 14.7 81 142 A G E -HI 62 99A 0 18,-1.5 18,-2.9 -19,-0.3 2,-0.3 -0.917 40.6-117.5-161.5-178.0 26.4 8.6 12.3 82 143 A T E +HI 61 98A 19 -21,-2.5 -21,-2.5 -2,-0.3 2,-0.3 -0.967 33.0 153.2-133.4 156.0 22.6 8.4 12.3 83 144 A D E - I 0 97A 0 14,-1.8 14,-2.6 -2,-0.3 2,-0.3 -0.963 47.3 -73.0-164.8 174.3 20.2 5.6 11.3 84 145 A L E - I 0 96A 45 -2,-0.3 -63,-2.6 12,-0.2 2,-0.4 -0.621 46.9-171.3 -83.3 139.4 16.7 4.3 11.9 85 146 A V E +DI 20 95A 2 10,-2.7 10,-2.3 -2,-0.3 2,-0.3 -0.989 8.1 177.1-133.7 138.6 16.1 2.6 15.3 86 147 A S E -DI 19 94A 25 -67,-2.0 -67,-2.3 -2,-0.4 8,-0.1 -0.923 24.2-140.8-133.9 164.5 13.2 0.5 16.7 87 148 A I > - 0 0 9 6,-0.6 3,-2.0 4,-0.6 6,-0.2 -0.913 11.8-161.5-126.2 102.8 12.5 -1.4 19.9 88 149 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.829 91.9 37.0 -55.1 -40.5 10.5 -4.6 19.0 89 150 A H T 3 S+ 0 0 100 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.113 117.8 57.4-105.5 34.1 9.2 -5.1 22.6 90 151 A G S < S- 0 0 2 -3,-2.0 2,-0.1 1,-0.3 73,-0.1 -0.454 108.4 -20.3-131.6-151.4 8.7 -1.4 23.3 91 152 A P - 0 0 23 0, 0.0 2,-2.2 0, 0.0 -4,-0.6 -0.388 67.3-120.1 -57.1 135.6 6.7 1.4 21.7 92 153 A Q S S+ 0 0 132 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.452 73.3 112.1 -82.0 69.9 5.9 0.5 18.1 93 154 A V - 0 0 46 -2,-2.2 -6,-0.6 -6,-0.2 2,-0.4 -0.922 57.4-138.7-133.9 162.0 7.7 3.4 16.5 94 155 A T E - 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