==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JAN-10 3LHG . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.OLLAND . 369 4 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 70.2 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 . 115 31.2 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 . 1 0.3 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-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 . 46 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.0 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 . 1 4 4 2 2 5 0 1 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 60 A S > 0 0 102 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 151.7 15.0 -6.2 -13.4 2 61 A F G >> + 0 0 68 1,-0.3 3,-2.1 2,-0.2 4,-0.8 0.711 360.0 79.2 -69.0 -23.1 14.5 -3.9 -10.4 3 62 A V G >4 S+ 0 0 109 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.830 91.0 54.9 -52.6 -33.6 11.2 -2.4 -11.6 4 63 A E G <4 S+ 0 0 146 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.575 103.9 54.9 -81.0 -8.3 9.5 -5.6 -10.4 5 64 A M G X4 S+ 0 0 10 -3,-2.1 3,-1.5 -4,-0.2 166,-0.6 0.538 80.7 114.2 -96.2 -10.2 10.9 -5.1 -6.9 6 65 A V T << S+ 0 0 60 -4,-0.8 164,-0.1 -3,-0.6 -3,-0.0 -0.383 86.6 7.8 -64.2 139.5 9.6 -1.5 -6.5 7 66 A D T 3 S+ 0 0 80 149,-0.1 -1,-0.3 1,-0.1 163,-0.2 0.709 84.6 136.9 60.8 26.6 6.9 -1.2 -3.8 8 67 A N < + 0 0 17 -3,-1.5 12,-0.6 84,-0.1 2,-0.4 0.445 51.8 79.6 -82.4 3.6 7.5 -4.8 -2.6 9 68 A L E +AB 19 169A 0 160,-2.3 160,-1.3 10,-0.1 2,-0.3 -0.889 54.0 172.7-112.8 145.4 7.4 -3.7 1.0 10 69 A R E +AB 18 168A 103 8,-2.2 8,-3.2 -2,-0.4 2,-0.3 -0.944 7.7 145.9-141.2 160.5 4.4 -3.0 3.2 11 70 A G E -AB 17 167A 6 156,-1.6 156,-2.8 -2,-0.3 2,-0.4 -0.992 41.9-102.6-175.7 174.4 3.7 -2.2 6.8 12 71 A K E > - B 0 166A 16 4,-0.7 3,-2.6 -2,-0.3 154,-0.2 -0.947 57.8 -87.4-113.3 140.4 1.8 -0.5 9.6 13 72 A S T 3 S+ 0 0 10 152,-3.0 216,-0.0 -2,-0.4 152,-0.0 -0.169 112.7 6.2 -51.4 125.3 3.3 2.6 11.3 14 73 A G T 3 S+ 0 0 29 215,-0.1 -1,-0.3 214,-0.1 215,-0.2 0.471 113.4 85.9 83.8 2.3 5.6 1.5 14.2 15 74 A Q S < S- 0 0 37 -3,-2.6 -2,-0.2 1,-0.3 98,-0.1 0.190 94.2-108.4-122.8 16.9 5.3 -2.2 13.4 16 75 A G - 0 0 16 -4,-0.2 -4,-0.7 -5,-0.1 2,-0.4 0.049 30.1 -79.5 86.9 168.0 8.0 -2.6 10.8 17 76 A Y E -A 11 0A 8 17,-0.3 17,-2.7 209,-0.3 2,-0.3 -0.915 43.7-167.0-108.3 138.7 8.2 -3.2 7.0 18 77 A Y E -AC 10 33A 29 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.4 -0.880 11.2-151.7-127.3 155.6 7.7 -6.7 5.6 19 78 A V E -AC 9 32A 1 13,-2.4 13,-3.0 -2,-0.3 2,-0.3 -0.928 29.9-108.6-120.5 147.0 8.2 -8.4 2.2 20 79 A E E + C 0 31A 70 -12,-0.6 72,-0.4 -2,-0.4 2,-0.3 -0.596 44.6 169.7 -75.2 134.1 6.2 -11.3 0.9 21 80 A M E - C 0 30A 0 9,-3.1 9,-2.7 -2,-0.3 2,-0.4 -0.900 25.6-139.7-133.7 164.7 8.1 -14.6 0.8 22 81 A T E -DC 89 29A 20 67,-2.4 67,-2.2 -2,-0.3 2,-0.4 -0.985 15.7-167.7-121.9 143.7 7.3 -18.2 0.1 23 82 A V E > -DC 88 28A 0 5,-1.9 5,-2.1 -2,-0.4 65,-0.2 -0.992 46.7 -1.8-127.1 137.0 8.8 -21.1 2.1 24 83 A G T 5S- 0 0 7 63,-2.6 36,-0.1 -2,-0.4 62,-0.1 -0.185 90.3 -40.3 88.6-175.3 8.6 -24.8 1.2 25 84 A S T 5S+ 0 0 27 2,-0.1 36,-2.8 1,-0.1 37,-0.3 -0.970 130.1 30.9-141.0 115.9 7.1 -27.0 -1.5 26 85 A P T 5S- 0 0 97 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.653 120.7-101.5 -61.3 162.3 4.3 -26.3 -2.4 27 86 A P T 5 - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.366 31.7-152.1 -65.8 127.3 5.1 -22.6 -1.6 28 87 A Q E < -C 23 0A 27 -5,-2.1 -5,-1.9 -2,-0.1 2,-0.3 -0.907 16.2-134.4-102.8 121.5 3.7 -21.3 1.6 29 88 A T E +C 22 0A 59 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.571 34.1 162.1 -81.3 128.8 3.1 -17.5 1.5 30 89 A L E -C 21 0A 3 -9,-2.7 -9,-3.1 -2,-0.3 2,-0.5 -0.994 37.8-126.0-143.1 149.2 4.2 -15.5 4.5 31 90 A N E -C 20 0A 14 -2,-0.3 88,-2.9 -11,-0.2 89,-0.9 -0.858 32.4-162.6 -93.3 126.6 4.9 -11.8 5.2 32 91 A I E -Ce 19 120A 0 -13,-3.0 -13,-2.4 -2,-0.5 89,-0.3 -0.938 19.0-121.6-122.9 120.6 8.4 -11.4 6.6 33 92 A L E -Ce 18 121A 12 87,-2.8 89,-3.4 -2,-0.5 2,-0.8 -0.341 24.4-131.9 -54.4 125.1 9.8 -8.4 8.5 34 93 A V E + e 0 122A 3 -17,-2.7 2,-0.5 87,-0.2 -17,-0.3 -0.766 34.9 180.0 -83.0 111.3 12.9 -6.9 6.7 35 94 A D E > + e 0 123A 17 87,-2.1 89,-2.8 -2,-0.8 3,-0.9 -0.891 28.4 175.4-127.5 101.6 15.3 -6.6 9.6 36 95 A T T 3 S+ 0 0 0 -2,-0.5 160,-0.5 1,-0.2 188,-0.2 0.479 80.5 70.2 -79.8 0.1 18.9 -5.3 9.2 37 96 A G T 3 S+ 0 0 14 158,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.300 101.5 36.4-101.6 8.7 19.4 -5.5 13.0 38 97 A S < - 0 0 34 -3,-0.9 87,-2.9 84,-0.1 92,-0.1 -0.924 62.5-142.8-150.5 176.1 19.4 -9.3 13.3 39 98 A S + 0 0 3 90,-0.3 2,-0.5 -2,-0.3 100,-0.2 0.293 62.7 97.6-134.0 9.4 20.7 -12.3 11.3 40 99 A N - 0 0 11 98,-0.1 83,-1.3 89,-0.1 2,-1.1 -0.876 61.7-141.2-103.9 132.5 18.2 -15.2 11.7 41 100 A F E +F 122 0A 6 -2,-0.5 62,-2.7 81,-0.2 2,-0.5 -0.824 41.2 172.7 -78.9 103.1 15.5 -16.1 9.2 42 101 A A E -Fg 121 103A 3 79,-2.3 79,-3.2 -2,-1.1 2,-0.4 -0.977 9.0-180.0-127.2 120.2 13.0 -16.9 11.9 43 102 A V E -Fg 120 104A 0 60,-2.2 62,-2.6 -2,-0.5 77,-0.3 -0.953 36.9-103.7-127.7 134.9 9.3 -17.6 11.1 44 103 A G E + g 0 105A 0 75,-3.1 11,-2.8 -2,-0.4 62,-0.2 -0.330 40.8 172.3 -49.2 132.3 6.3 -18.5 13.2 45 104 A A + 0 0 9 60,-2.5 12,-0.2 9,-0.2 -1,-0.1 0.029 55.8 46.1-140.2 24.6 5.8 -22.2 12.8 46 105 A A S S- 0 0 23 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.965 98.5 -71.3-159.1 158.5 3.1 -23.0 15.3 47 106 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.201 52.7 170.0 -54.1 142.3 -0.2 -21.5 16.3 48 107 A H > - 0 0 48 3,-0.5 3,-1.5 -4,-0.1 5,-0.1 -0.965 44.1-116.3-153.4 146.2 -0.1 -18.2 18.2 49 108 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.765 117.3 42.5 -56.4 -30.3 -2.8 -15.7 19.1 50 109 A F T 3 S+ 0 0 82 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.428 100.0 87.0 -96.8 -2.8 -1.3 -12.9 16.9 51 110 A L < + 0 0 14 -3,-1.5 -3,-0.5 1,-0.1 3,-0.1 -0.874 44.8 178.0-101.1 128.0 -0.6 -15.3 14.0 52 111 A H S S+ 0 0 172 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.466 79.9 14.3-102.8 -6.8 -3.3 -15.9 11.4 53 112 A R S S+ 0 0 89 -7,-0.1 -1,-0.3 -5,-0.1 2,-0.3 -0.960 70.0 179.4-156.8 158.3 -0.9 -18.2 9.4 54 113 A Y - 0 0 63 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.955 39.3 -77.6-154.2 168.5 2.4 -19.9 10.0 55 114 A Y - 0 0 1 -11,-2.8 2,-0.8 -2,-0.3 3,-0.1 -0.590 36.7-162.2 -78.4 123.0 5.0 -22.1 8.5 56 115 A Q > - 0 0 59 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 -0.859 6.8-173.2-111.3 95.7 4.0 -25.8 8.5 57 116 A R G > S+ 0 0 44 -2,-0.8 3,-2.3 1,-0.3 6,-0.3 0.867 82.5 63.2 -56.1 -40.5 7.1 -27.9 7.9 58 117 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.719 98.8 56.5 -60.4 -21.7 5.0 -31.1 7.6 59 118 A L G < S+ 0 0 92 -3,-1.6 2,-0.6 2,-0.0 -1,-0.3 0.468 91.4 88.8 -86.5 -3.6 3.4 -29.6 4.5 60 119 A S X - 0 0 11 -3,-2.3 3,-0.7 -4,-0.2 -36,-0.1 -0.866 55.4-167.0-104.8 121.5 6.7 -29.1 2.8 61 120 A S T 3 S+ 0 0 104 -36,-2.8 -1,-0.1 -2,-0.6 -3,-0.0 0.664 92.6 50.1 -74.3 -14.4 8.2 -31.9 0.7 62 121 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.1 0.416 80.2 120.9-109.4 1.5 11.5 -30.1 0.6 63 122 A Y < - 0 0 53 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.415 42.2-165.9 -65.2 135.2 11.9 -29.4 4.3 64 123 A R E -H 85 0A 152 21,-2.5 21,-2.5 -2,-0.1 2,-0.3 -0.991 15.1-134.0-127.6 126.5 15.0 -30.8 6.0 65 124 A D E -H 84 0A 91 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.556 9.1-164.1 -76.5 134.3 15.4 -31.1 9.8 66 125 A L E - 0 0 78 17,-2.2 18,-0.2 -2,-0.3 -1,-0.1 0.492 33.1-132.4 -94.6 -4.9 18.8 -29.9 11.2 67 126 A R E + 0 0 225 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.926 67.6 112.4 56.5 48.8 18.0 -31.7 14.5 68 127 A K E - 0 0 106 15,-0.5 15,-3.1 2,-0.0 -2,-0.2 -0.967 55.0-143.8-153.1 132.5 19.0 -28.7 16.6 69 128 A G E -H 82 0A 48 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.436 9.9-153.2 -89.5 168.8 17.0 -26.3 18.8 70 129 A V E -H 81 0A 7 11,-2.0 11,-2.6 -2,-0.1 2,-0.5 -0.987 6.3-168.9-146.0 133.7 17.5 -22.6 19.2 71 130 A Y E -H 80 0A 131 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.975 5.3-178.6-128.8 117.2 16.7 -20.4 22.2 72 131 A V E +H 79 0A 9 7,-2.9 7,-1.9 -2,-0.5 2,-0.3 -0.717 2.1 178.0-125.0 82.1 16.8 -16.6 21.9 73 132 A P E +H 78 0A 62 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.637 14.8 174.4 -74.3 138.6 16.0 -14.6 25.0 74 133 A Y E > -H 77 0A 83 3,-2.6 3,-0.7 -2,-0.3 -2,-0.0 -0.883 44.0 -88.4-142.6 172.3 16.4 -10.9 24.4 75 134 A T T 3 S+ 0 0 150 -2,-0.3 -1,-0.1 1,-0.3 3,-0.0 0.920 120.8 33.0 -53.0 -57.9 15.7 -7.7 26.4 76 135 A Q T 3 S- 0 0 63 -3,-0.1 2,-0.3 34,-0.0 -1,-0.3 0.595 132.7 -45.0 -79.4 -11.5 12.1 -7.1 25.4 77 136 A G E < -H 74 0A 10 -3,-0.7 -3,-2.6 -5,-0.0 2,-0.3 -0.858 61.8-106.8 179.3-147.8 11.0 -10.7 25.1 78 137 A K E -HI 73 109A 51 31,-2.0 31,-2.8 -2,-0.3 2,-0.3 -0.963 10.0-155.6-170.2 156.2 12.1 -14.0 23.6 79 138 A W E -HI 72 108A 19 -7,-1.9 -7,-2.9 -2,-0.3 2,-0.3 -0.974 8.9-171.1-135.5 155.2 11.7 -16.6 20.8 80 139 A E E +HI 71 107A 79 27,-2.2 27,-1.8 -2,-0.3 26,-1.8 -0.996 18.8 142.7-145.8 141.2 12.5 -20.3 20.7 81 140 A G E -HI 70 105A 3 -11,-2.6 -11,-2.0 -2,-0.3 2,-0.4 -0.823 42.7 -89.5-158.3-164.9 12.4 -22.7 17.8 82 141 A E E -HI 69 104A 87 22,-1.7 22,-2.6 -2,-0.2 -13,-0.2 -0.989 37.6-124.7-130.6 135.6 13.8 -25.6 15.8 83 142 A L E + I 0 103A 3 -15,-3.1 -17,-2.2 -2,-0.4 -16,-0.5 -0.545 44.2 129.9 -87.2 143.1 16.4 -25.4 13.1 84 143 A G E -HI 65 102A 1 18,-1.5 18,-3.0 -19,-0.3 2,-0.3 -0.953 42.7-114.6-167.2 179.5 16.0 -26.7 9.5 85 144 A T E +HI 64 101A 19 -21,-2.5 -21,-2.5 -2,-0.3 2,-0.3 -0.880 31.7 158.9-124.6 161.1 16.4 -25.8 5.9 86 145 A D E - I 0 100A 0 14,-1.6 14,-2.4 -2,-0.3 2,-0.3 -0.964 46.8 -76.2-168.3 167.4 13.9 -25.4 3.1 87 146 A L E - I 0 99A 53 -2,-0.3 -63,-2.6 12,-0.2 2,-0.4 -0.561 49.2-171.2 -76.6 136.9 13.5 -23.7 -0.3 88 147 A V E +DI 23 98A 1 10,-2.5 10,-2.2 -2,-0.3 2,-0.3 -0.988 9.2 175.8-135.8 135.4 12.7 -20.0 -0.1 89 148 A S E -DI 22 97A 25 -67,-2.2 -67,-2.4 -2,-0.4 8,-0.1 -0.944 26.3-142.4-134.2 161.9 11.7 -17.4 -2.7 90 149 A I > - 0 0 9 6,-0.5 3,-1.4 4,-0.5 6,-0.2 -0.957 15.8-157.4-122.2 104.9 10.8 -13.7 -2.8 91 150 A P T 3 S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.857 93.6 38.0 -54.8 -43.4 7.9 -13.4 -5.4 92 151 A H T 3 S+ 0 0 100 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.427 115.9 64.5-103.7 53.3 8.6 -9.7 -6.0 93 152 A G S < S- 0 0 12 -3,-1.4 79,-0.1 -2,-0.3 -87,-0.1 -0.579 103.5 -20.5-143.7-151.8 12.3 -10.1 -5.7 94 153 A P - 0 0 17 0, 0.0 2,-2.2 0, 0.0 -4,-0.5 -0.383 66.8-116.1 -63.1 144.1 15.1 -11.8 -7.7 95 154 A N S S+ 0 0 168 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.446 80.1 101.6 -81.2 66.6 13.7 -14.6 -9.8 96 155 A V - 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