==== 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 11-AUG-09 3IN4 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.OLLAND . 370 4 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 67.8 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 . 110 29.7 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 . 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 . 50 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.5 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 . 2 4 3 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 60 A S 0 0 132 0, 0.0 3,-0.5 0, 0.0 177,-0.0 0.000 360.0 360.0 360.0 -56.9 15.1 -4.3 -14.2 2 61 A F >> + 0 0 46 1,-0.2 3,-1.6 2,-0.1 4,-1.1 0.263 360.0 108.1 -92.0 8.5 14.3 -3.8 -10.5 3 62 A V T 34 S+ 0 0 112 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.851 75.9 54.1 -50.4 -37.1 11.0 -2.5 -11.7 4 63 A E T 34 S+ 0 0 105 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.715 105.7 53.0 -73.3 -20.4 9.4 -5.7 -10.4 5 64 A M T X4 S+ 0 0 12 -3,-1.6 3,-1.5 166,-0.1 167,-0.5 0.627 82.9 114.1 -88.6 -14.6 11.0 -5.0 -7.0 6 65 A V T 3< S+ 0 0 59 -4,-1.1 165,-0.1 -3,-0.5 -3,-0.0 -0.305 87.2 4.6 -60.4 137.1 9.5 -1.5 -6.7 7 66 A D T 3 S+ 0 0 79 1,-0.1 -1,-0.3 149,-0.1 164,-0.2 0.728 84.3 139.7 61.3 25.7 7.0 -1.0 -3.9 8 67 A N < + 0 0 17 -3,-1.5 12,-0.5 84,-0.1 2,-0.4 0.308 51.0 79.9 -82.3 10.3 7.6 -4.6 -2.7 9 68 A L E +AB 19 170A 1 161,-2.0 161,-1.3 10,-0.1 2,-0.3 -0.925 51.3 165.2-120.4 146.4 7.4 -3.5 0.9 10 69 A R E +AB 18 169A 107 8,-2.0 8,-3.4 -2,-0.4 2,-0.3 -0.956 6.7 141.1-148.2 164.5 4.4 -2.7 3.2 11 70 A G E -AB 17 168A 1 157,-1.4 157,-3.1 -2,-0.3 2,-0.4 -0.971 45.1 -88.1 175.2 174.1 3.7 -2.3 6.9 12 71 A K E > - B 0 167A 62 4,-0.5 3,-3.0 104,-0.3 155,-0.2 -0.895 58.2 -89.6-105.6 136.0 1.9 -0.5 9.7 13 72 A S T 3 S+ 0 0 9 153,-3.1 -1,-0.1 -2,-0.4 153,-0.0 -0.145 112.4 6.6 -46.3 119.8 3.4 2.7 11.2 14 73 A G T 3 S+ 0 0 28 216,-0.1 -1,-0.3 151,-0.0 216,-0.2 0.295 113.8 84.0 91.7 -8.4 5.7 1.7 14.1 15 74 A Q S < S- 0 0 34 -3,-3.0 -2,-0.2 1,-0.3 98,-0.1 0.166 95.7-105.9-116.7 16.5 5.4 -2.0 13.5 16 75 A G - 0 0 16 -4,-0.2 -4,-0.5 -5,-0.1 2,-0.4 0.103 30.6 -76.8 89.8 164.5 8.1 -2.5 10.8 17 76 A Y E -A 11 0A 8 17,-0.3 17,-2.5 210,-0.3 2,-0.3 -0.860 44.5-168.5-102.5 136.9 8.3 -3.0 7.1 18 77 A Y E -AC 10 33A 23 -8,-3.4 -8,-2.0 -2,-0.4 2,-0.4 -0.929 11.7-154.3-127.5 151.5 7.7 -6.5 5.6 19 78 A V E -AC 9 32A 2 13,-2.1 13,-2.8 -2,-0.3 2,-0.2 -0.927 30.2-107.8-118.6 147.0 8.2 -8.2 2.2 20 79 A E E + C 0 31A 72 -12,-0.5 72,-0.4 -2,-0.4 2,-0.3 -0.530 44.4 171.6 -72.9 135.3 6.2 -11.2 0.9 21 80 A M E - C 0 30A 0 9,-3.1 9,-3.0 -2,-0.2 2,-0.4 -0.955 24.3-141.4-137.8 158.3 8.1 -14.5 0.8 22 81 A T E -DC 89 29A 21 67,-2.4 67,-2.3 -2,-0.3 2,-0.4 -0.957 15.7-169.5-117.7 145.9 7.3 -18.1 0.1 23 82 A V E > -DC 88 28A 0 5,-1.5 5,-1.8 -2,-0.4 65,-0.2 -0.995 45.1 -1.9-131.9 138.9 8.9 -21.0 2.0 24 83 A G T 5S- 0 0 6 63,-2.6 4,-0.2 -2,-0.4 36,-0.1 -0.015 90.5 -39.2 84.0 176.5 8.7 -24.8 1.2 25 84 A S T 5S+ 0 0 32 2,-0.1 36,-2.8 1,-0.1 37,-0.3 -0.985 130.0 31.8-128.2 120.4 7.1 -26.9 -1.4 26 85 A P T 5S- 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.590 120.1 -99.0 -67.7 160.0 4.4 -26.2 -2.3 27 86 A P T 5 - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.215 33.4-152.6 -53.7 126.9 5.1 -22.5 -1.7 28 87 A Q E < -C 23 0A 27 -5,-1.8 -5,-1.5 -4,-0.2 2,-0.3 -0.920 15.4-134.6-105.5 115.9 3.8 -21.2 1.7 29 88 A T E +C 22 0A 59 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.528 35.3 159.8 -75.8 125.8 3.0 -17.5 1.5 30 89 A L E -C 21 0A 3 -9,-3.0 -9,-3.1 -2,-0.3 2,-0.5 -0.996 38.8-128.0-143.2 147.1 4.2 -15.4 4.5 31 90 A N E -C 20 0A 16 -2,-0.3 88,-3.2 -11,-0.2 89,-1.0 -0.859 31.5-164.7 -92.3 125.8 5.0 -11.7 5.2 32 91 A I E -Ce 19 120A 0 -13,-2.8 -13,-2.1 -2,-0.5 89,-0.2 -0.941 19.5-121.7-123.9 118.7 8.4 -11.3 6.6 33 92 A L E -Ce 18 121A 13 87,-2.7 89,-3.2 -2,-0.5 2,-0.7 -0.278 24.4-130.3 -55.4 127.4 9.8 -8.3 8.4 34 93 A V E - e 0 122A 3 -17,-2.5 2,-0.5 87,-0.2 -17,-0.3 -0.748 34.7-179.8 -83.9 115.1 13.0 -6.9 6.7 35 94 A D E > + e 0 123A 16 87,-2.1 89,-3.4 -2,-0.7 3,-0.7 -0.937 29.3 176.2-130.4 109.5 15.5 -6.5 9.5 36 95 A T T 3 S+ 0 0 0 -2,-0.5 161,-0.5 1,-0.2 189,-0.2 0.448 81.0 71.9 -86.4 -0.2 19.0 -5.2 9.2 37 96 A G T 3 S+ 0 0 14 159,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.224 100.9 36.6-101.3 12.2 19.4 -5.4 13.0 38 97 A S < - 0 0 32 -3,-0.7 87,-3.1 84,-0.1 92,-0.1 -0.943 60.5-144.9-152.7 174.8 19.6 -9.2 13.1 39 98 A S + 0 0 2 90,-0.3 2,-0.4 -2,-0.3 100,-0.2 0.227 64.0 99.1-133.2 11.8 20.9 -12.2 11.2 40 99 A N - 0 0 13 98,-0.1 83,-2.2 89,-0.1 2,-0.9 -0.851 60.8-143.7-102.1 138.1 18.4 -15.0 11.7 41 100 A F E +F 122 0A 8 -2,-0.4 62,-2.9 81,-0.2 2,-0.5 -0.887 39.5 170.9 -90.0 102.3 15.7 -16.0 9.3 42 101 A A E +Fg 121 103A 3 79,-2.3 79,-3.8 -2,-0.9 2,-0.4 -0.971 10.9 179.6-124.8 126.8 13.1 -16.8 11.9 43 102 A V E -Fg 120 104A 0 60,-2.4 62,-2.5 -2,-0.5 77,-0.2 -0.971 36.6-103.5-130.7 139.2 9.4 -17.6 11.2 44 103 A G E + g 0 105A 1 75,-2.6 11,-2.8 -2,-0.4 62,-0.2 -0.369 39.8 171.3 -54.2 131.2 6.4 -18.4 13.3 45 104 A A + 0 0 10 60,-2.4 12,-0.2 9,-0.2 -1,-0.1 0.030 55.8 51.9-138.4 25.2 5.9 -22.2 12.9 46 105 A A S S- 0 0 23 59,-0.3 9,-0.1 7,-0.1 -1,-0.1 -0.968 97.3 -74.9-156.3 153.5 3.2 -22.9 15.6 47 106 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.128 52.2 172.8 -50.4 143.7 -0.2 -21.4 16.4 48 107 A H > - 0 0 49 3,-0.4 3,-1.3 -4,-0.1 5,-0.1 -0.960 42.6-119.8-157.1 140.4 -0.2 -18.0 18.2 49 108 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.749 116.7 41.7 -50.3 -31.5 -2.9 -15.5 19.2 50 109 A F T 3 S+ 0 0 79 64,-0.1 2,-0.4 -3,-0.0 65,-0.4 0.614 101.6 83.7 -92.9 -15.5 -1.3 -12.8 17.0 51 110 A L < - 0 0 16 -3,-1.3 -3,-0.4 1,-0.1 3,-0.1 -0.745 46.4-179.8 -92.8 134.1 -0.5 -15.0 14.1 52 111 A H S S+ 0 0 171 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.433 78.3 14.5-108.0 -4.5 -3.2 -15.8 11.5 53 112 A R + 0 0 91 -7,-0.1 -1,-0.3 -5,-0.1 2,-0.3 -0.961 69.3 179.1-159.6 157.7 -0.9 -18.1 9.5 54 113 A Y - 0 0 65 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.970 38.9 -75.8-156.4 168.5 2.5 -19.8 10.0 55 114 A Y - 0 0 2 -11,-2.8 2,-0.7 -2,-0.3 -31,-0.1 -0.568 37.7-163.5 -74.1 121.0 5.1 -22.1 8.5 56 115 A Q > - 0 0 66 -2,-0.4 3,-1.6 1,-0.2 4,-0.2 -0.861 5.0-170.6-110.9 98.1 4.0 -25.7 8.5 57 116 A R G > S+ 0 0 43 -2,-0.7 3,-2.1 1,-0.3 6,-0.3 0.850 82.4 60.1 -54.5 -41.9 7.1 -27.9 8.0 58 117 A Q G 3 S+ 0 0 142 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.672 99.0 58.5 -66.4 -17.0 5.1 -31.1 7.5 59 118 A L G < S+ 0 0 93 -3,-1.6 2,-0.6 1,-0.0 -1,-0.3 0.443 92.2 86.4 -88.4 -1.2 3.3 -29.6 4.5 60 119 A S X - 0 0 11 -3,-2.1 3,-0.9 -4,-0.2 -36,-0.1 -0.897 57.0-166.4-110.9 118.2 6.7 -29.1 2.8 61 120 A S T 3 S+ 0 0 103 -36,-2.8 -1,-0.1 -2,-0.6 -3,-0.0 0.626 90.9 51.8 -72.2 -14.1 8.3 -31.8 0.7 62 121 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 -5,-0.1 2,-0.1 0.395 79.1 119.5-108.9 1.4 11.6 -30.0 0.6 63 122 A Y < - 0 0 48 -3,-0.9 2,-0.4 -6,-0.3 23,-0.2 -0.419 41.9-166.8 -68.2 139.8 12.1 -29.3 4.3 64 123 A R E -H 85 0A 151 21,-2.3 21,-2.3 -2,-0.1 2,-0.2 -0.984 15.6-132.5-132.9 124.2 15.2 -30.9 6.0 65 124 A D E -H 84 0A 80 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.487 9.8-164.2 -76.2 138.7 15.6 -31.1 9.8 66 125 A L E - 0 0 68 17,-2.0 18,-0.2 -2,-0.2 -1,-0.1 0.359 33.7-133.2 -97.9 3.1 18.9 -29.9 11.3 67 126 A R E + 0 0 209 16,-0.4 2,-0.3 1,-0.1 17,-0.1 0.930 67.2 112.9 41.4 64.1 18.1 -31.7 14.6 68 127 A K E - 0 0 109 15,-0.4 15,-3.1 2,-0.0 -2,-0.2 -0.907 54.9-143.2-164.8 129.1 19.1 -28.7 16.6 69 128 A G E -H 82 0A 52 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.531 8.5-154.8 -94.2 162.6 17.1 -26.3 18.8 70 129 A V E -H 81 0A 9 11,-2.3 11,-2.4 -2,-0.2 2,-0.4 -0.998 6.9-172.4-138.1 142.7 17.6 -22.6 19.3 71 130 A Y E -H 80 0A 136 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.912 2.8-179.0-140.8 107.9 16.7 -20.5 22.3 72 131 A V E +H 79 0A 13 7,-3.1 7,-1.7 -2,-0.4 2,-0.2 -0.815 10.1 176.6-116.9 92.5 17.0 -16.7 22.2 73 132 A P E +H 78 0A 53 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.569 7.4 153.5 -89.9 155.2 16.0 -14.9 25.4 74 133 A Y - 0 0 101 3,-1.6 -2,-0.0 -2,-0.2 0, 0.0 -0.749 56.2 -64.1-155.8-155.7 16.2 -11.2 26.2 75 134 A T S S+ 0 0 146 -2,-0.2 3,-0.0 1,-0.1 -1,-0.0 0.933 121.1 38.4 -76.6 -48.3 14.5 -8.6 28.4 76 135 A Q S S- 0 0 40 34,-0.1 34,-0.1 33,-0.0 2,-0.1 0.995 128.4 -56.8 -67.5 -66.0 10.9 -8.5 27.1 77 136 A G - 0 0 10 32,-0.2 -3,-1.6 33,-0.1 2,-0.3 -0.136 62.5-120.8-140.7-117.2 10.2 -12.1 26.4 78 137 A K E -HI 73 109A 45 31,-1.2 31,-2.3 -5,-0.2 2,-0.3 -0.976 7.9-115.0-177.3-178.6 12.1 -14.5 24.1 79 138 A W E -HI 72 108A 21 -7,-1.7 -7,-3.1 -2,-0.3 2,-0.3 -0.972 22.3-172.8-143.0 134.0 11.9 -16.8 21.1 80 139 A E E +HI 71 107A 58 27,-3.2 26,-1.2 -2,-0.3 27,-1.1 -0.880 19.1 138.6-119.7 150.8 12.4 -20.6 20.9 81 140 A G E -HI 70 105A 6 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.4 -0.970 44.0 -97.2-171.0-173.6 12.6 -22.8 17.9 82 141 A E E -HI 69 104A 87 22,-1.6 22,-2.3 -2,-0.3 -13,-0.2 -0.988 36.2-126.3-129.1 133.4 13.9 -25.7 15.9 83 142 A L E + I 0 103A 2 -15,-3.1 -17,-2.0 -2,-0.4 -15,-0.4 -0.536 42.9 132.7 -85.8 143.6 16.5 -25.3 13.1 84 143 A G E -HI 65 102A 0 18,-1.2 18,-3.1 -19,-0.2 2,-0.3 -0.951 42.0-114.2-166.1 178.9 16.1 -26.6 9.6 85 144 A T E +HI 64 101A 22 -21,-2.3 -21,-2.3 -2,-0.3 2,-0.3 -0.934 31.4 162.0-126.2 155.0 16.5 -25.7 5.9 86 145 A D E - I 0 100A 0 14,-1.8 14,-2.4 -2,-0.3 2,-0.2 -0.981 46.1 -78.3-160.9 163.5 14.0 -25.3 3.1 87 146 A L E - I 0 99A 52 -2,-0.3 -63,-2.6 12,-0.2 2,-0.4 -0.490 50.5-168.8 -67.2 135.9 13.5 -23.7 -0.3 88 147 A V E +DI 23 98A 2 10,-3.1 10,-2.5 -65,-0.2 2,-0.3 -0.988 9.9 175.5-134.6 139.4 12.9 -20.0 -0.1 89 148 A S E -DI 22 97A 26 -67,-2.3 -67,-2.4 -2,-0.4 8,-0.1 -0.969 26.1-145.3-141.6 154.8 11.8 -17.4 -2.6 90 149 A I > - 0 0 9 6,-0.5 3,-2.1 4,-0.5 6,-0.2 -0.912 14.5-160.6-121.4 102.7 10.9 -13.7 -2.8 91 150 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.831 93.0 37.8 -55.1 -43.7 8.1 -13.3 -5.4 92 151 A H T 3 S+ 0 0 81 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.199 115.3 68.1-101.8 39.3 8.6 -9.6 -6.0 93 152 A G S < S- 0 0 9 -3,-2.1 80,-0.1 1,-0.3 -87,-0.0 -0.455 103.8 -28.6-128.7-154.0 12.4 -10.0 -5.7 94 153 A P - 0 0 20 0, 0.0 2,-2.0 0, 0.0 -4,-0.5 -0.322 66.8-110.6 -64.7 149.2 15.0 -11.6 -7.9 95 154 A N S S+ 0 0 167 -3,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.450 80.8 102.2 -82.8 68.1 13.8 -14.6 -9.9 96 155 A V - 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