==== 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 04-DEC-07 2ZDZ . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.CHOPRA,A.OLLAND . 370 4 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 68.4 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 . 113 30.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 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 . 45 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 5 1 3 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 . 1 0 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 0 111 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 138.0 14.8 -6.3 -13.1 2 61 A F G >> + 0 0 77 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.725 360.0 72.9 -68.1 -24.0 14.6 -3.9 -10.2 3 62 A V G >4 S+ 0 0 102 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.801 90.9 58.4 -60.0 -31.4 11.2 -2.5 -11.4 4 63 A E G <4 S+ 0 0 126 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.705 105.1 51.9 -69.0 -21.2 9.7 -5.8 -10.2 5 64 A M G X4 S+ 0 0 7 -3,-1.3 3,-1.5 -4,-0.3 167,-0.6 0.561 80.3 112.9 -95.0 -11.0 11.0 -5.0 -6.7 6 65 A V T << S+ 0 0 60 -4,-0.6 165,-0.1 -3,-0.5 -3,-0.0 -0.438 88.7 7.6 -65.1 133.1 9.6 -1.5 -6.4 7 66 A D T 3 S+ 0 0 82 -2,-0.1 -1,-0.3 149,-0.1 164,-0.2 0.715 83.9 136.3 66.3 26.7 7.0 -1.2 -3.7 8 67 A N < + 0 0 17 -3,-1.5 12,-0.5 84,-0.1 2,-0.4 0.401 51.1 81.9 -83.2 4.1 7.6 -4.8 -2.4 9 68 A L E +AB 19 170A 0 161,-2.5 161,-1.4 10,-0.1 2,-0.3 -0.902 52.0 166.6-111.5 141.1 7.4 -3.6 1.2 10 69 A R E +AB 18 169A 106 8,-2.1 8,-3.4 -2,-0.4 2,-0.3 -0.926 7.7 134.3-139.8 165.6 4.3 -3.0 3.4 11 70 A G E -AB 17 168A 4 157,-1.3 157,-2.6 -2,-0.3 2,-0.4 -0.972 48.4 -87.1 174.5 179.0 3.5 -2.5 7.0 12 71 A K E >> -AB 16 167A 64 4,-0.6 3,-2.7 -2,-0.3 4,-0.6 -0.915 59.0 -89.3-108.4 140.9 1.6 -0.6 9.7 13 72 A S T 34 S+ 0 0 9 153,-3.1 153,-0.0 -2,-0.4 217,-0.0 -0.230 113.0 4.8 -52.9 124.5 3.2 2.5 11.2 14 73 A G T 34 S+ 0 0 32 216,-0.1 -1,-0.3 151,-0.1 216,-0.1 0.528 115.7 85.2 77.7 7.5 5.4 1.5 14.2 15 74 A Q T <4 S- 0 0 33 -3,-2.7 -2,-0.2 1,-0.1 98,-0.1 0.502 97.3 -86.5-120.1 -6.7 4.8 -2.3 13.6 16 75 A G E < -A 12 0A 19 -4,-0.6 -4,-0.6 17,-0.0 2,-0.4 0.141 29.1 -98.8 112.8 138.3 7.5 -3.2 11.0 17 76 A Y E -A 11 0A 13 210,-0.4 17,-2.8 17,-0.3 2,-0.3 -0.740 44.2-169.9 -84.8 132.0 8.1 -3.3 7.3 18 77 A Y E -AC 10 33A 29 -8,-3.4 -8,-2.1 -2,-0.4 2,-0.3 -0.892 16.3-152.9-126.9 153.6 7.6 -6.7 5.7 19 78 A V E -AC 9 32A 2 13,-2.5 13,-3.0 -2,-0.3 2,-0.3 -0.930 30.1-109.6-118.6 146.8 8.2 -8.4 2.4 20 79 A E E + C 0 31A 67 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.601 44.2 170.3 -75.4 132.4 6.3 -11.4 1.0 21 80 A M E - C 0 30A 0 9,-3.0 9,-2.9 -2,-0.3 2,-0.4 -0.922 24.8-139.6-134.9 160.8 8.2 -14.6 0.9 22 81 A T E -DC 89 29A 19 67,-2.4 67,-2.1 -2,-0.3 2,-0.4 -0.979 14.5-166.3-121.0 142.1 7.4 -18.3 0.2 23 82 A V E > -DC 88 28A 0 5,-1.8 5,-1.6 -2,-0.4 65,-0.2 -0.994 46.4 -5.9-127.6 131.3 8.8 -21.2 2.1 24 83 A G T 5S- 0 0 7 63,-2.9 4,-0.1 -2,-0.4 36,-0.1 -0.181 90.1 -36.2 91.4-177.3 8.7 -24.9 1.2 25 84 A S T 5S+ 0 0 31 2,-0.1 36,-2.5 -2,-0.0 37,-0.2 -0.981 129.8 29.8-133.2 116.6 7.2 -27.1 -1.6 26 85 A P T 5S- 0 0 97 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 0.627 120.9 -98.4 -65.0 163.4 4.5 -26.3 -2.5 27 86 A P T 5 - 0 0 90 0, 0.0 2,-0.7 0, 0.0 -3,-0.2 -0.339 32.8-153.0 -63.7 127.2 5.2 -22.6 -1.8 28 87 A Q E < -C 23 0A 28 -5,-1.6 -5,-1.8 -2,-0.1 2,-0.3 -0.900 15.9-137.3-100.3 112.9 3.8 -21.4 1.6 29 88 A T E +C 22 0A 57 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.527 33.0 162.9 -73.6 127.4 3.2 -17.6 1.4 30 89 A L E -C 21 0A 2 -9,-2.9 -9,-3.0 -2,-0.3 2,-0.5 -0.988 37.6-123.7-140.3 151.8 4.2 -15.6 4.5 31 90 A N E -C 20 0A 16 -2,-0.3 88,-3.4 -11,-0.2 89,-0.9 -0.856 32.6-161.1 -95.1 127.6 4.9 -12.0 5.3 32 91 A I E -Ce 19 120A 0 -13,-3.0 -13,-2.5 -2,-0.5 89,-0.3 -0.937 16.7-123.5-124.2 122.5 8.4 -11.5 6.7 33 92 A L E -Ce 18 121A 18 87,-3.1 89,-3.9 -2,-0.5 2,-0.8 -0.360 23.0-133.2 -60.5 129.3 9.8 -8.5 8.7 34 93 A V E + e 0 122A 2 -17,-2.8 2,-0.5 87,-0.2 -17,-0.3 -0.800 32.8 175.9 -89.4 110.6 12.9 -6.9 7.1 35 94 A D E > + e 0 123A 17 87,-2.5 89,-2.6 -2,-0.8 3,-0.9 -0.905 24.5 177.3-126.8 103.3 15.4 -6.5 10.0 36 95 A T T 3 S+ 0 0 0 -2,-0.5 161,-0.5 1,-0.2 189,-0.2 0.428 82.0 66.6 -80.1 1.5 18.9 -5.2 9.4 37 96 A G T 3 S+ 0 0 13 159,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.188 102.1 43.3-107.2 14.7 19.6 -5.4 13.1 38 97 A S < - 0 0 30 -3,-0.9 87,-2.8 84,-0.1 92,-0.1 -0.933 63.3-145.2-151.3 172.0 19.5 -9.2 13.4 39 98 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.274 59.8 97.5-133.3 10.5 20.7 -12.3 11.5 40 99 A N - 0 0 12 98,-0.1 83,-1.6 89,-0.1 2,-0.9 -0.868 58.4-143.1-106.4 137.9 18.2 -15.1 11.7 41 100 A F E +F 122 0A 7 -2,-0.4 62,-2.5 81,-0.2 2,-0.4 -0.887 40.9 168.4 -88.9 105.5 15.5 -16.2 9.3 42 101 A A E -Fg 121 103A 0 79,-2.0 79,-3.3 -2,-0.9 2,-0.4 -0.988 12.9-177.6-130.4 130.1 12.9 -17.1 11.8 43 102 A V E -Fg 120 104A 0 60,-2.4 62,-2.5 -2,-0.4 77,-0.3 -0.976 36.2-101.1-132.3 141.2 9.2 -17.9 11.1 44 103 A G E + g 0 105A 0 75,-2.9 11,-3.2 -2,-0.4 62,-0.1 -0.383 40.4 170.9 -52.6 129.4 6.1 -18.8 13.2 45 104 A A + 0 0 6 60,-2.5 12,-0.2 9,-0.2 -1,-0.1 0.074 57.8 47.5-135.9 20.0 5.7 -22.5 12.8 46 105 A A S S- 0 0 25 59,-0.3 -1,-0.1 10,-0.1 9,-0.1 -0.964 98.1 -75.8-154.6 154.9 3.0 -23.2 15.4 47 106 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.202 50.0 169.1 -54.6 143.8 -0.4 -21.6 16.3 48 107 A H > - 0 0 43 3,-0.4 3,-1.9 -4,-0.1 59,-0.0 -0.947 44.4-115.7-154.7 141.7 -0.3 -18.2 18.2 49 108 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.764 117.2 46.8 -52.9 -30.8 -3.1 -15.8 18.9 50 109 A F T 3 S+ 0 0 83 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.505 97.0 90.6 -89.8 -5.1 -1.5 -13.0 16.8 51 110 A L < + 0 0 19 -3,-1.9 -3,-0.4 1,-0.1 3,-0.1 -0.818 40.7 172.7 -98.2 125.2 -0.8 -15.4 13.9 52 111 A H S S+ 0 0 169 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.608 80.1 21.6 -96.5 -20.9 -3.3 -15.9 11.1 53 112 A R + 0 0 88 65,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.969 69.7 179.8-140.2 152.7 -0.8 -18.0 9.1 54 113 A Y - 0 0 69 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.985 37.0 -89.1-151.9 163.0 2.2 -20.1 10.0 55 114 A Y - 0 0 0 -11,-3.2 2,-0.7 -2,-0.3 -31,-0.1 -0.563 34.3-161.1 -73.3 124.3 4.9 -22.3 8.5 56 115 A Q > - 0 0 62 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 -0.865 8.2-173.7-114.0 97.2 3.9 -25.9 8.4 57 116 A R G > S+ 0 0 40 -2,-0.7 3,-1.8 1,-0.3 6,-0.3 0.833 82.6 62.4 -58.4 -38.0 7.0 -28.1 8.0 58 117 A Q G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.662 100.5 56.3 -62.4 -19.4 4.9 -31.4 7.6 59 118 A L G < S+ 0 0 89 -3,-1.6 2,-0.5 -33,-0.0 -1,-0.3 0.441 90.8 87.8 -91.4 -4.6 3.4 -29.8 4.4 60 119 A S X - 0 0 13 -3,-1.8 3,-0.8 -4,-0.2 -36,-0.1 -0.875 55.9-164.7-105.9 124.4 6.7 -29.2 2.7 61 120 A S T 3 S+ 0 0 104 -36,-2.5 -1,-0.1 -2,-0.5 -3,-0.0 0.649 92.4 50.6 -75.9 -15.9 8.3 -32.0 0.6 62 121 A T T 3 S+ 0 0 32 -37,-0.2 2,-0.2 -36,-0.1 -1,-0.2 0.269 79.2 123.2-109.9 7.5 11.7 -30.2 0.6 63 122 A Y < - 0 0 48 -3,-0.8 2,-0.4 -6,-0.3 23,-0.2 -0.521 39.5-168.6 -70.4 134.7 12.0 -29.6 4.4 64 123 A R E -H 85 0A 151 21,-2.5 21,-2.6 -2,-0.2 2,-0.3 -0.997 15.2-136.3-126.3 126.9 15.1 -31.0 6.1 65 124 A D E -H 84 0A 85 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.609 9.4-164.1 -81.8 138.2 15.5 -31.2 9.8 66 125 A L E - 0 0 64 17,-2.0 18,-0.2 -2,-0.3 -1,-0.1 0.464 32.8-131.9 -96.4 -3.2 18.8 -30.1 11.4 67 126 A R E + 0 0 210 16,-0.4 2,-0.3 1,-0.2 17,-0.1 0.953 67.7 116.5 45.7 61.5 17.9 -31.8 14.7 68 127 A K E - 0 0 111 15,-0.4 15,-3.4 2,-0.0 2,-0.2 -0.958 53.6-143.4-158.2 132.5 18.9 -28.7 16.7 69 128 A G E -H 82 0A 51 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.611 6.4-154.5 -98.2 159.7 17.0 -26.3 18.9 70 129 A V E -H 81 0A 6 11,-2.7 11,-2.7 -2,-0.2 2,-0.4 -1.000 6.5-170.7-135.1 135.0 17.4 -22.5 19.2 71 130 A Y E -H 80 0A 115 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.992 3.3-178.2-129.9 124.0 16.4 -20.4 22.3 72 131 A V E +H 79 0A 12 7,-2.7 7,-1.7 -2,-0.4 2,-0.2 -0.801 5.1 178.5-128.5 87.3 16.4 -16.6 22.3 73 132 A P E +H 78 0A 62 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.627 7.7 167.6 -82.8 150.5 15.5 -14.8 25.6 74 133 A Y E > -H 77 0A 76 3,-2.5 3,-1.5 -2,-0.2 2,-1.0 -0.954 50.9 -65.2-152.4 165.5 15.5 -11.0 25.8 75 134 A T T 3 S+ 0 0 139 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.432 125.4 14.2 -62.4 98.3 14.2 -8.3 28.3 76 135 A Q T 3 S- 0 0 146 -2,-1.0 -1,-0.2 1,-0.2 2,-0.2 -0.059 129.8 -20.6 130.0 -25.5 10.4 -8.8 28.1 77 136 A G E < -H 74 0A 11 -3,-1.5 -3,-2.5 33,-0.1 2,-0.3 -0.866 58.0-122.3-174.0-155.0 10.0 -12.2 26.4 78 137 A K E -HI 73 109A 68 31,-1.5 31,-2.4 -2,-0.2 2,-0.3 -0.981 4.5-139.6-163.6 162.2 11.5 -14.9 24.2 79 138 A W E -HI 72 108A 17 -7,-1.7 -7,-2.7 -2,-0.3 2,-0.4 -0.989 20.1-173.4-131.4 146.8 11.3 -17.0 21.0 80 139 A E E +HI 71 107A 69 27,-2.9 26,-1.9 -2,-0.3 27,-1.7 -0.983 14.9 146.5-136.7 141.5 12.1 -20.7 20.8 81 140 A G E -HI 70 105A 4 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.4 -0.959 41.8 -96.5-162.6-178.9 12.3 -23.0 17.9 82 141 A E E -HI 69 104A 85 22,-1.7 22,-2.8 -2,-0.3 -13,-0.2 -0.924 37.5-127.1-114.7 136.0 13.7 -25.9 15.9 83 142 A L E + I 0 103A 1 -15,-3.4 -17,-2.0 -2,-0.4 -16,-0.4 -0.566 42.5 133.1 -87.0 144.6 16.3 -25.5 13.2 84 143 A G E -HI 65 102A 0 18,-1.5 18,-2.9 -19,-0.2 2,-0.3 -0.947 42.0-111.2-165.6-178.1 16.0 -26.8 9.6 85 144 A T E +HI 64 101A 18 -21,-2.6 -21,-2.5 -2,-0.3 2,-0.3 -0.914 33.8 153.5-126.3 157.7 16.4 -26.0 6.0 86 145 A D E - I 0 100A 0 14,-1.5 14,-2.3 -2,-0.3 2,-0.3 -0.959 48.7 -74.6-168.9 170.0 14.0 -25.5 3.1 87 146 A L E - I 0 99A 51 -2,-0.3 -63,-2.9 12,-0.2 2,-0.4 -0.604 48.4-171.4 -79.9 132.5 13.5 -23.8 -0.2 88 147 A V E +DI 23 98A 2 10,-2.9 10,-2.4 -2,-0.3 2,-0.3 -0.981 7.8 177.0-131.0 137.6 12.8 -20.1 0.0 89 148 A S E -DI 22 97A 24 -67,-2.1 -67,-2.4 -2,-0.4 8,-0.1 -0.947 26.3-142.6-134.8 157.5 11.8 -17.4 -2.6 90 149 A I > - 0 0 10 6,-0.5 3,-1.4 4,-0.5 6,-0.2 -0.930 15.3-159.9-118.5 100.1 10.9 -13.7 -2.7 91 150 A P T 3 S+ 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.819 93.4 38.1 -50.4 -41.3 8.0 -13.4 -5.3 92 151 A H T 3 S+ 0 0 101 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.421 116.1 63.5-107.5 54.1 8.7 -9.7 -5.8 93 152 A G S < S- 0 0 11 -3,-1.4 2,-0.1 1,-0.2 -89,-0.1 -0.512 104.2 -22.5-142.4-149.5 12.5 -10.0 -5.6 94 153 A P - 0 0 22 0, 0.0 2,-2.1 0, 0.0 -4,-0.5 -0.430 66.0-113.4 -68.7 148.1 15.1 -11.8 -7.6 95 154 A N S S+ 0 0 171 -2,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.362 80.8 105.6 -80.1 60.5 13.8 -14.7 -9.7 96 155 A V - 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