==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUL-09 3IGB . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.OLLAND . 369 5 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15640.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 69.1 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 30.6 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 . 46 12.5 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 . 26 7.0 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 4 4 2 2 6 0 0 0 1 0 0 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 99 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 133.4 14.8 -6.1 -13.4 2 61 A F G >> + 0 0 72 1,-0.3 3,-2.1 2,-0.2 4,-0.8 0.693 360.0 81.3 -67.5 -21.2 14.5 -3.9 -10.3 3 62 A V G >4 S+ 0 0 108 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.835 88.3 55.9 -53.0 -33.0 11.2 -2.5 -11.4 4 63 A E G <4 S+ 0 0 141 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.603 103.6 54.7 -81.6 -8.3 9.5 -5.6 -10.1 5 64 A M G X4 S+ 0 0 9 -3,-2.1 3,-1.8 -4,-0.2 165,-0.7 0.577 80.5 112.8 -96.3 -10.2 10.9 -5.0 -6.7 6 65 A V T << S+ 0 0 61 -4,-0.8 163,-0.1 -3,-0.7 -3,-0.0 -0.346 90.0 5.5 -61.8 139.4 9.6 -1.5 -6.4 7 66 A D T 3 S+ 0 0 77 1,-0.1 -1,-0.3 147,-0.1 162,-0.2 0.690 85.5 136.3 57.3 22.2 6.9 -1.2 -3.7 8 67 A N < + 0 0 16 -3,-1.8 12,-0.6 82,-0.1 2,-0.4 0.463 53.8 80.7 -75.2 0.9 7.6 -4.8 -2.7 9 68 A L E +AB 19 168A 0 159,-2.6 159,-1.4 10,-0.1 2,-0.3 -0.877 53.4 166.9-109.4 144.2 7.4 -3.7 1.0 10 69 A R E +AB 18 167A 103 8,-2.3 8,-3.8 -2,-0.4 2,-0.3 -0.928 7.7 138.9-141.2 166.9 4.4 -3.0 3.1 11 70 A G E -AB 17 166A 3 155,-1.1 155,-3.0 -2,-0.3 2,-0.4 -0.958 47.4 -89.7 173.1 173.7 3.7 -2.5 6.8 12 71 A K E > - B 0 165A 51 4,-0.6 3,-3.2 -2,-0.3 4,-0.3 -0.903 59.1 -89.4-105.8 137.0 1.9 -0.7 9.5 13 72 A S T 3 S+ 0 0 9 151,-3.4 151,-0.1 -2,-0.4 -1,-0.1 -0.147 113.4 6.8 -48.5 123.8 3.4 2.5 10.9 14 73 A G T 3 S+ 0 0 27 214,-0.1 -1,-0.3 213,-0.1 214,-0.2 0.325 113.0 86.5 87.4 -8.9 5.7 1.6 13.8 15 74 A Q S < S- 0 0 36 -3,-3.2 -2,-0.2 1,-0.2 96,-0.1 0.282 96.0-108.1-111.1 10.8 5.3 -2.1 13.2 16 75 A G - 0 0 14 -4,-0.3 -4,-0.6 -5,-0.1 2,-0.4 0.105 31.2 -77.5 89.5 162.0 8.0 -2.6 10.7 17 76 A Y E -A 11 0A 7 17,-0.4 17,-2.9 208,-0.3 2,-0.3 -0.822 43.4-165.5 -99.4 136.2 8.3 -3.2 6.9 18 77 A Y E -AC 10 33A 28 -8,-3.8 -8,-2.3 -2,-0.4 2,-0.3 -0.912 11.0-154.0-123.1 150.4 7.6 -6.7 5.5 19 78 A V E -AC 9 32A 0 13,-2.6 13,-3.1 -2,-0.3 2,-0.3 -0.876 31.0-110.9-112.4 148.2 8.3 -8.3 2.1 20 79 A E E + C 0 31A 69 -12,-0.6 70,-0.4 -2,-0.3 2,-0.3 -0.647 44.3 172.7 -79.5 136.0 6.2 -11.3 0.9 21 80 A M E - C 0 30A 0 9,-3.4 9,-2.8 -2,-0.3 2,-0.4 -0.922 23.9-139.2-134.8 163.2 8.1 -14.5 0.8 22 81 A T E -DC 87 29A 21 65,-2.7 65,-2.2 -2,-0.3 2,-0.4 -0.975 15.3-167.6-122.3 145.1 7.4 -18.2 0.1 23 82 A V E > -DC 86 28A 0 5,-1.8 5,-2.0 -2,-0.4 63,-0.2 -0.991 46.3 -3.7-129.8 139.6 8.8 -21.1 2.0 24 83 A G T 5S- 0 0 7 61,-2.4 4,-0.1 -2,-0.4 36,-0.1 -0.061 90.9 -40.9 80.5 179.9 8.7 -24.8 1.2 25 84 A S T 5S+ 0 0 29 2,-0.2 36,-2.7 -3,-0.0 37,-0.3 -0.994 129.7 33.4-133.0 121.4 7.1 -26.9 -1.5 26 85 A P T 5S- 0 0 95 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 0.655 119.7-100.8 -62.1 163.4 4.3 -26.2 -2.4 27 86 A P T 5 - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.346 32.1-152.7 -61.7 125.8 5.1 -22.5 -1.7 28 87 A Q E < -C 23 0A 25 -5,-2.0 -5,-1.8 -4,-0.1 2,-0.4 -0.900 16.9-134.0 -99.2 122.7 3.7 -21.2 1.6 29 88 A T E +C 22 0A 59 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.647 34.6 163.8 -82.1 129.0 3.0 -17.5 1.4 30 89 A L E -C 21 0A 2 -9,-2.8 -9,-3.4 -2,-0.4 2,-0.5 -0.984 37.0-126.9-139.0 152.2 4.3 -15.5 4.4 31 90 A N E -C 20 0A 13 -2,-0.3 86,-3.3 -11,-0.2 87,-0.9 -0.881 33.0-164.0 -96.5 128.5 4.9 -11.8 5.2 32 91 A I E -Ce 19 118A 0 -13,-3.1 -13,-2.6 -2,-0.5 87,-0.3 -0.953 18.5-121.6-128.7 123.9 8.4 -11.3 6.5 33 92 A L E -Ce 18 119A 12 85,-2.9 87,-3.5 -2,-0.5 2,-0.8 -0.333 22.2-132.7 -62.0 131.0 9.9 -8.4 8.4 34 93 A V E + e 0 120A 2 -17,-2.9 2,-0.5 85,-0.2 -17,-0.4 -0.800 34.5 178.3 -87.0 112.8 13.0 -6.9 6.7 35 94 A D E > + e 0 121A 16 85,-2.3 87,-3.1 -2,-0.8 3,-0.8 -0.911 27.0 175.7-129.5 102.5 15.4 -6.6 9.5 36 95 A T T 3 S+ 0 0 0 -2,-0.5 159,-0.5 1,-0.2 187,-0.2 0.374 81.1 68.8 -83.4 6.3 19.0 -5.3 9.1 37 96 A G T 3 S+ 0 0 13 157,-0.1 2,-0.3 86,-0.1 -1,-0.2 0.292 101.2 41.0-109.1 6.4 19.5 -5.5 12.8 38 97 A S < - 0 0 33 -3,-0.8 85,-3.2 82,-0.2 84,-0.1 -0.927 62.8-145.2-146.9 173.3 19.4 -9.3 13.1 39 98 A S + 0 0 3 88,-0.3 2,-0.4 -2,-0.3 98,-0.2 0.242 61.6 96.6-130.9 8.6 20.8 -12.2 11.2 40 99 A N - 0 0 13 96,-0.1 81,-1.4 87,-0.1 2,-1.0 -0.886 61.0-141.1-107.3 135.5 18.3 -15.1 11.5 41 100 A F E +F 120 0A 5 -2,-0.4 60,-2.7 79,-0.2 2,-0.4 -0.843 41.7 169.8 -82.1 106.6 15.6 -16.1 9.0 42 101 A A E -Fg 119 101A 2 77,-2.2 77,-3.9 -2,-1.0 2,-0.4 -0.985 12.2-176.8-131.4 129.4 13.0 -17.0 11.6 43 102 A V E -Fg 118 102A 0 58,-2.8 60,-2.5 -2,-0.4 75,-0.3 -0.981 36.3-103.3-134.4 134.3 9.4 -17.7 10.9 44 103 A G E + g 0 103A 0 73,-3.1 11,-3.1 -2,-0.4 60,-0.2 -0.340 41.5 171.4 -48.4 127.8 6.3 -18.5 13.0 45 104 A A + 0 0 9 58,-2.6 12,-0.2 9,-0.2 -1,-0.1 0.049 57.2 46.0-134.9 22.5 5.8 -22.2 12.6 46 105 A A S S- 0 0 24 57,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.962 99.2 -74.0-159.0 155.5 3.1 -22.9 15.2 47 106 A P + 0 0 96 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.124 51.0 172.4 -53.4 146.5 -0.2 -21.2 16.0 48 107 A H B > -N 51 0B 41 3,-0.5 3,-1.5 -4,-0.1 5,-0.0 -0.969 43.1-117.5-154.7 146.9 -0.0 -17.9 17.9 49 108 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.788 118.8 43.9 -59.6 -27.2 -2.7 -15.4 18.8 50 109 A F T 3 S+ 0 0 83 62,-0.1 2,-0.5 -3,-0.0 63,-0.3 0.511 100.9 87.2 -93.2 -5.9 -1.1 -12.7 16.7 51 110 A L B < +N 48 0B 15 -3,-1.5 -3,-0.5 1,-0.1 3,-0.1 -0.834 41.3 172.0-100.8 125.6 -0.5 -15.2 13.8 52 111 A H S S+ 0 0 163 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.596 80.0 22.6 -98.7 -18.1 -3.1 -15.8 11.2 53 112 A R S S+ 0 0 91 -7,-0.1 2,-0.3 63,-0.1 -1,-0.2 -0.963 70.4 179.6-137.9 156.2 -0.7 -17.9 9.0 54 113 A Y - 0 0 67 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.2 -0.992 38.0 -87.7-157.1 159.4 2.4 -19.8 9.9 55 114 A Y - 0 0 0 -11,-3.1 2,-0.7 -2,-0.3 -31,-0.1 -0.498 36.2-160.7 -65.7 122.2 5.1 -22.0 8.3 56 115 A Q > - 0 0 62 -2,-0.3 3,-1.3 1,-0.2 4,-0.2 -0.871 7.2-172.2-111.4 100.4 4.0 -25.6 8.3 57 116 A R G > S+ 0 0 45 -2,-0.7 3,-2.1 1,-0.3 6,-0.3 0.853 81.9 59.4 -57.0 -42.2 7.0 -27.8 7.9 58 117 A Q G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.669 99.9 58.3 -66.1 -18.3 5.1 -31.1 7.5 59 118 A L G < S+ 0 0 84 -3,-1.3 2,-0.6 1,-0.1 -1,-0.3 0.459 92.1 88.1 -86.1 -4.2 3.3 -29.6 4.4 60 119 A S X - 0 0 11 -3,-2.1 3,-1.0 -4,-0.2 -36,-0.1 -0.863 56.0-167.9-107.2 117.0 6.7 -29.1 2.7 61 120 A S T 3 S+ 0 0 104 -36,-2.7 -1,-0.1 -2,-0.6 -3,-0.0 0.671 91.3 50.9 -72.6 -14.4 8.2 -31.8 0.7 62 121 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.1 0.393 79.9 119.7-107.9 -0.5 11.5 -30.0 0.6 63 122 A Y < - 0 0 46 -3,-1.0 2,-0.4 -6,-0.3 21,-0.2 -0.426 42.4-166.9 -63.4 138.0 11.9 -29.3 4.3 64 123 A R E -H 83 0A 152 19,-2.5 19,-2.3 -2,-0.1 2,-0.1 -0.963 15.8-134.1-133.1 117.3 15.0 -30.8 5.9 65 124 A D E -H 82 0A 77 -2,-0.4 17,-0.3 17,-0.2 16,-0.0 -0.408 9.6-164.7 -65.5 135.4 15.4 -31.0 9.7 66 125 A L E - 0 0 66 15,-2.1 16,-0.2 2,-0.2 -1,-0.1 0.433 34.0-133.2 -96.0 -0.6 18.8 -29.9 11.1 67 126 A R E + 0 0 205 14,-0.5 2,-0.3 1,-0.2 15,-0.1 0.961 67.8 110.0 44.5 69.0 17.9 -31.6 14.4 68 127 A K E - 0 0 109 13,-0.4 13,-3.2 2,-0.0 -2,-0.2 -0.861 55.6-142.7-170.8 129.3 19.0 -28.6 16.4 69 128 A G E -H 80 0A 52 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.484 5.6-147.9 -96.1 168.6 17.1 -26.1 18.5 70 129 A V E -H 79 0A 7 9,-2.4 9,-2.2 -2,-0.2 2,-0.5 -0.995 7.2-170.2-137.4 129.7 17.6 -22.4 19.0 71 130 A Y E -H 78 0A 74 -2,-0.4 7,-0.2 7,-0.2 -2,-0.0 -0.989 9.3-176.6-119.2 122.6 16.7 -20.5 22.1 72 131 A V E +H 77 0A 9 5,-1.9 5,-1.6 -2,-0.5 2,-0.2 -0.748 5.0 175.8-128.5 85.9 16.9 -16.7 21.7 73 132 A P 0 0 94 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.536 360.0 360.0 -78.0 155.9 16.3 -14.5 24.8 74 133 A Y 0 0 175 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.970 360.0 360.0-168.6 360.0 16.8 -10.8 24.3 75 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 76 137 A K 0 0 75 0, 0.0 31,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 163.4 12.3 -14.1 23.1 77 138 A W E -HI 72 106A 17 -5,-1.6 -5,-1.9 29,-0.2 2,-0.3 -0.982 360.0-172.5-144.5 145.6 11.7 -16.7 20.5 78 139 A E E +HI 71 105A 83 27,-2.9 27,-1.7 -2,-0.3 26,-1.5 -0.956 18.2 142.6-132.6 153.8 12.7 -20.3 20.3 79 140 A G E -HI 70 103A 5 -9,-2.2 -9,-2.4 -2,-0.3 2,-0.4 -0.952 44.6 -80.6-169.4-173.5 12.5 -22.8 17.5 80 141 A E E -HI 69 102A 85 22,-1.9 22,-2.6 -2,-0.3 2,-0.2 -0.905 39.0-127.8-114.5 135.0 13.8 -25.7 15.5 81 142 A L E + I 0 101A 1 -13,-3.2 -15,-2.1 -2,-0.4 -14,-0.5 -0.570 44.0 132.0 -82.1 143.2 16.5 -25.4 12.9 82 143 A G E -HI 65 100A 0 18,-1.5 18,-3.3 -17,-0.3 2,-0.3 -0.941 43.8-114.6-164.4-179.6 16.1 -26.7 9.4 83 144 A T E +HI 64 99A 19 -19,-2.3 -19,-2.5 -2,-0.3 2,-0.3 -0.905 32.6 160.9-122.2 158.3 16.5 -25.7 5.8 84 145 A D E - 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