==== 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 3IN3 . 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) . 16152.0 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 . 113 30.5 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 . 2 0.5 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 . 34 9.2 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 5 3 2 2 5 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 99 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 134.6 14.7 -6.1 -13.3 2 61 A F G >> + 0 0 67 1,-0.3 3,-1.3 2,-0.2 4,-0.9 0.766 360.0 73.2 -69.0 -25.6 14.4 -3.7 -10.5 3 62 A V G >4 S+ 0 0 108 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.836 93.8 54.0 -55.1 -36.6 11.1 -2.3 -11.7 4 63 A E G <4 S+ 0 0 135 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.720 107.1 53.5 -68.5 -21.9 9.5 -5.6 -10.5 5 64 A M G X4 S+ 0 0 8 -3,-1.3 3,-1.4 -4,-0.4 167,-0.6 0.612 81.2 112.1 -91.2 -14.7 11.0 -4.9 -7.1 6 65 A V T << S+ 0 0 60 -4,-0.9 165,-0.1 -3,-0.5 -3,-0.0 -0.368 87.1 8.1 -64.2 136.2 9.6 -1.4 -6.6 7 66 A D T 3 S+ 0 0 81 149,-0.1 -1,-0.3 1,-0.1 164,-0.2 0.737 83.0 138.0 64.9 27.5 7.0 -1.1 -3.9 8 67 A N < + 0 0 16 -3,-1.4 12,-0.6 84,-0.1 2,-0.3 0.440 51.4 78.3 -82.8 1.2 7.6 -4.7 -2.6 9 68 A L E +AB 19 170A 0 161,-2.2 161,-1.3 10,-0.1 2,-0.3 -0.855 52.3 168.0-110.0 148.7 7.4 -3.6 1.0 10 69 A R E +AB 18 169A 105 8,-2.1 8,-3.5 -2,-0.3 2,-0.3 -0.938 7.3 143.4-144.8 167.4 4.4 -2.8 3.2 11 70 A G E -AB 17 168A 1 157,-1.3 157,-2.7 -2,-0.3 2,-0.4 -0.983 44.0 -93.7 177.7 178.4 3.8 -2.3 6.9 12 71 A K E > - B 0 167A 65 4,-0.6 3,-3.0 -2,-0.3 155,-0.2 -0.955 58.1 -86.2-115.5 138.5 1.9 -0.4 9.6 13 72 A S T 3 S+ 0 0 9 153,-3.2 152,-0.0 -2,-0.4 217,-0.0 -0.122 113.8 5.0 -47.6 123.8 3.4 2.7 11.2 14 73 A G T 3 S+ 0 0 29 216,-0.1 -1,-0.3 215,-0.0 216,-0.2 0.419 113.8 87.4 84.1 -0.6 5.7 1.7 14.1 15 74 A Q S < S- 0 0 39 -3,-3.0 -2,-0.2 1,-0.3 98,-0.1 0.205 94.3-102.0-120.2 16.0 5.3 -2.1 13.4 16 75 A G - 0 0 17 -4,-0.2 -4,-0.6 -5,-0.1 2,-0.4 0.032 30.7 -84.4 92.8 163.5 8.0 -2.7 10.8 17 76 A Y E -A 11 0A 9 17,-0.3 17,-2.9 210,-0.3 2,-0.3 -0.919 44.5-167.8-105.9 138.1 8.3 -3.1 7.0 18 77 A Y E -AC 10 33A 22 -8,-3.5 -8,-2.1 -2,-0.4 2,-0.3 -0.909 12.1-154.0-128.3 154.5 7.7 -6.5 5.6 19 78 A V E -AC 9 32A 2 13,-2.4 13,-2.8 -2,-0.3 2,-0.3 -0.921 29.7-107.9-121.9 148.1 8.2 -8.3 2.2 20 79 A E E + C 0 31A 70 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.577 44.6 168.9 -75.9 134.7 6.3 -11.2 0.8 21 80 A M E - C 0 30A 0 9,-3.0 9,-2.8 -2,-0.3 2,-0.4 -0.935 25.1-140.2-135.9 162.6 8.2 -14.5 0.7 22 81 A T E -DC 89 29A 18 67,-2.5 67,-2.2 -2,-0.3 2,-0.4 -0.982 14.8-166.7-121.1 144.8 7.4 -18.2 0.1 23 82 A V E > -DC 88 28A 1 5,-1.9 5,-1.9 -2,-0.4 65,-0.2 -0.983 46.6 -3.6-127.3 139.6 8.9 -21.1 2.0 24 83 A G T 5S- 0 0 6 63,-2.7 4,-0.1 -2,-0.4 36,-0.1 -0.146 90.9 -38.4 84.3-175.8 8.8 -24.8 1.1 25 84 A S T 5S+ 0 0 31 2,-0.2 36,-2.7 1,-0.1 37,-0.3 -0.977 129.6 31.0-139.0 118.7 7.1 -26.9 -1.6 26 85 A P T 5S- 0 0 96 0, 0.0 -3,-0.1 0, 0.0 36,-0.1 0.623 120.5 -99.4 -64.3 163.3 4.4 -26.2 -2.5 27 86 A P T 5 - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.312 32.6-152.3 -61.7 130.3 5.2 -22.5 -1.8 28 87 A Q E < -C 23 0A 27 -5,-1.9 -5,-1.9 -4,-0.1 2,-0.4 -0.928 16.4-135.1-103.9 118.9 3.8 -21.2 1.6 29 88 A T E +C 22 0A 60 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.588 33.8 162.4 -79.7 125.5 3.1 -17.5 1.4 30 89 A L E -C 21 0A 3 -9,-2.8 -9,-3.0 -2,-0.4 2,-0.5 -0.985 37.4-126.8-138.4 149.8 4.3 -15.4 4.4 31 90 A N E -C 20 0A 15 -2,-0.3 88,-3.3 -11,-0.2 89,-0.8 -0.872 32.8-164.0 -93.9 126.1 4.9 -11.8 5.2 32 91 A I E -Ce 19 120A 0 -13,-2.8 -13,-2.4 -2,-0.5 89,-0.2 -0.939 19.5-120.0-122.9 127.3 8.4 -11.3 6.6 33 92 A L E -Ce 18 121A 12 87,-2.9 89,-3.4 -2,-0.4 2,-0.9 -0.372 23.8-131.9 -62.0 129.3 9.9 -8.3 8.5 34 93 A V E + e 0 122A 3 -17,-2.9 2,-0.5 87,-0.2 -17,-0.3 -0.785 34.6 179.7 -86.5 109.0 13.0 -6.8 6.8 35 94 A D E > + e 0 123A 15 87,-2.3 89,-2.7 -2,-0.9 3,-1.0 -0.885 28.2 174.4-123.9 100.8 15.5 -6.5 9.6 36 95 A T T 3 S+ 0 0 0 -2,-0.5 161,-0.5 1,-0.2 189,-0.2 0.475 80.5 71.3 -79.1 0.4 19.0 -5.1 9.2 37 96 A G T 3 S+ 0 0 13 159,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.338 100.8 33.4-100.8 6.6 19.4 -5.4 12.9 38 97 A S < - 0 0 35 -3,-1.0 87,-2.7 84,-0.2 92,-0.1 -0.934 62.9-138.8-153.4 176.8 19.6 -9.2 13.3 39 98 A S + 0 0 3 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.275 63.3 93.8-133.4 11.7 20.8 -12.3 11.4 40 99 A N - 0 0 13 98,-0.1 83,-1.7 89,-0.1 2,-0.9 -0.859 61.8-138.9-106.3 142.3 18.3 -15.1 11.6 41 100 A F E +F 122 0A 7 -2,-0.4 62,-2.9 81,-0.2 2,-0.5 -0.897 41.8 172.5 -89.5 104.1 15.6 -16.1 9.2 42 101 A A E -Fg 121 103A 3 79,-2.2 79,-3.3 -2,-0.9 2,-0.4 -0.979 9.1-179.5-126.9 124.5 13.0 -16.9 11.9 43 102 A V E -Fg 120 104A 0 60,-2.5 62,-2.6 -2,-0.5 77,-0.3 -0.962 36.4-102.1-132.3 137.1 9.4 -17.7 11.1 44 103 A G E + g 0 105A 1 75,-2.9 11,-3.0 -2,-0.4 62,-0.1 -0.342 40.7 170.5 -51.8 128.4 6.3 -18.5 13.2 45 104 A A + 0 0 9 60,-2.4 12,-0.2 9,-0.2 -1,-0.1 0.014 56.2 45.2-135.9 27.7 5.9 -22.3 12.8 46 105 A A S S- 0 0 26 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.962 98.2 -70.4-162.1 156.4 3.1 -23.0 15.4 47 106 A P + 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.170 52.1 169.8 -51.3 140.5 -0.2 -21.4 16.4 48 107 A H > - 0 0 47 3,-0.4 3,-1.7 -4,-0.1 5,-0.1 -0.965 43.6-118.7-151.8 144.2 0.0 -18.1 18.2 49 108 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.780 116.7 44.4 -57.4 -29.5 -2.8 -15.6 19.1 50 109 A F T 3 S+ 0 0 79 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.501 99.5 86.9 -91.7 -5.6 -1.2 -12.9 16.9 51 110 A L < + 0 0 16 -3,-1.7 -3,-0.4 1,-0.1 3,-0.1 -0.832 44.6 177.1 -98.3 126.9 -0.5 -15.3 14.0 52 111 A H S S+ 0 0 169 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.490 79.1 14.3-102.3 -6.7 -3.2 -15.9 11.4 53 112 A R S S+ 0 0 94 -7,-0.1 2,-0.3 -5,-0.1 -1,-0.3 -0.967 70.2 179.4-156.8 157.2 -0.9 -18.1 9.4 54 113 A Y - 0 0 67 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.968 38.4 -76.6-154.8 169.6 2.4 -19.9 9.9 55 114 A Y - 0 0 2 -11,-3.0 2,-0.8 -2,-0.3 -31,-0.1 -0.576 36.9-162.3 -77.3 121.5 5.1 -22.1 8.4 56 115 A Q > - 0 0 63 -2,-0.4 3,-1.5 1,-0.2 4,-0.3 -0.852 6.8-172.8-110.1 97.3 4.0 -25.8 8.3 57 116 A R G > S+ 0 0 46 -2,-0.8 3,-1.5 1,-0.3 6,-0.3 0.806 82.7 61.2 -59.7 -33.4 7.1 -28.0 7.9 58 117 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.722 99.3 56.6 -69.5 -21.4 5.0 -31.1 7.5 59 118 A L G < S+ 0 0 96 -3,-1.5 2,-0.6 1,-0.0 -1,-0.3 0.472 91.8 90.6 -84.9 -3.2 3.3 -29.6 4.4 60 119 A S X - 0 0 12 -3,-1.5 3,-1.0 -4,-0.3 -36,-0.1 -0.851 54.5-168.8-105.1 116.2 6.8 -29.1 2.7 61 120 A S T 3 S+ 0 0 103 -36,-2.7 -1,-0.1 -2,-0.6 -4,-0.0 0.671 92.1 49.5 -70.2 -16.4 8.2 -31.9 0.6 62 121 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.1 0.373 80.7 121.6-108.8 2.7 11.6 -30.0 0.5 63 122 A Y < - 0 0 50 -3,-1.0 2,-0.4 -6,-0.3 23,-0.2 -0.400 41.4-166.1 -65.5 139.6 12.0 -29.4 4.3 64 123 A R E -H 85 0A 152 21,-2.4 21,-2.4 -2,-0.1 2,-0.3 -0.989 14.3-134.8-132.9 126.6 15.1 -30.8 5.9 65 124 A D E -H 84 0A 87 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.562 10.5-166.7 -79.4 134.3 15.5 -31.1 9.7 66 125 A L E - 0 0 69 17,-2.1 18,-0.2 -2,-0.3 -1,-0.1 0.459 33.7-133.4 -95.7 -2.5 18.8 -30.0 11.2 67 126 A R E + 0 0 207 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.942 66.1 115.4 50.4 56.2 18.0 -31.7 14.5 68 127 A K E - 0 0 110 15,-0.5 15,-3.1 2,-0.0 -2,-0.2 -0.974 54.1-141.5-158.0 135.5 19.0 -28.7 16.5 69 128 A G E -H 82 0A 29 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.531 8.6-156.9 -98.3 165.7 17.2 -26.2 18.8 70 129 A V E -H 81 0A 2 11,-1.9 11,-2.7 -2,-0.2 2,-0.5 -0.991 5.0-170.5-146.3 133.3 17.7 -22.5 19.2 71 130 A Y E -H 80 0A 153 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.976 3.7-178.3-130.5 118.0 16.8 -20.3 22.1 72 131 A V E +H 79 0A 11 7,-3.2 7,-2.3 -2,-0.5 2,-0.3 -0.752 2.2 177.6-125.6 85.7 16.9 -16.5 21.9 73 132 A P E +H 78 0A 81 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.640 16.7 170.8 -73.8 140.2 16.1 -14.5 25.0 74 133 A Y - 0 0 79 3,-3.3 -2,-0.0 -2,-0.3 0, 0.0 -0.890 46.1 -85.2-145.3 176.6 16.5 -10.8 24.5 75 134 A T S S+ 0 0 139 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.942 123.1 34.3 -49.7 -63.7 15.7 -7.5 26.3 76 135 A Q S S- 0 0 114 -3,-0.1 -1,-0.2 34,-0.0 2,-0.2 0.783 132.5 -55.7 -66.8 -30.9 12.1 -7.0 25.1 77 136 A G - 0 0 13 -5,-0.1 -3,-3.3 2,-0.0 2,-0.3 -0.752 60.1 -94.9-174.1-139.7 11.2 -10.7 25.1 78 137 A K E -HI 73 109A 82 31,-1.9 31,-2.5 -5,-0.3 2,-0.3 -0.986 12.6-153.8-164.8 156.8 12.3 -14.0 23.6 79 138 A W E -HI 72 108A 20 -7,-2.3 -7,-3.2 -2,-0.3 2,-0.3 -0.973 10.1-169.9-135.8 158.1 11.8 -16.5 20.8 80 139 A E E +HI 71 107A 51 27,-1.9 26,-1.8 -2,-0.3 27,-1.6 -0.997 19.5 137.1-149.0 137.1 12.5 -20.2 20.7 81 140 A G E -HI 70 105A 3 -11,-2.7 -11,-1.9 -2,-0.3 2,-0.4 -0.876 43.3 -86.9-163.5-166.1 12.5 -22.7 17.8 82 141 A E E -HI 69 104A 89 22,-1.7 22,-2.8 -2,-0.3 2,-0.2 -0.985 37.0-126.6-130.3 133.1 13.8 -25.6 15.7 83 142 A L E + I 0 103A 0 -15,-3.1 -17,-2.1 -2,-0.4 -16,-0.5 -0.544 43.5 129.5 -86.5 143.0 16.5 -25.4 13.0 84 143 A G E -HI 65 102A 0 18,-1.3 18,-2.8 -19,-0.2 2,-0.3 -0.937 42.6-114.9-165.8-176.0 16.1 -26.7 9.5 85 144 A T E +HI 64 101A 19 -21,-2.4 -21,-2.4 -2,-0.3 2,-0.3 -0.955 31.5 158.2-133.4 154.6 16.4 -25.8 5.8 86 145 A D E - I 0 100A 0 14,-1.6 14,-2.2 -2,-0.3 2,-0.2 -0.967 46.7 -76.1-162.8 169.7 14.0 -25.3 3.0 87 146 A L E - I 0 99A 50 -2,-0.3 -63,-2.7 12,-0.2 2,-0.4 -0.565 48.5-170.1 -76.8 139.2 13.5 -23.7 -0.4 88 147 A V E +DI 23 98A 2 10,-2.6 10,-2.5 -2,-0.2 2,-0.3 -0.990 9.4 176.6-136.1 138.5 12.8 -19.9 -0.2 89 148 A S E -DI 22 97A 27 -67,-2.2 -67,-2.5 -2,-0.4 8,-0.1 -0.964 25.0-143.7-137.0 156.2 11.7 -17.3 -2.8 90 149 A I > - 0 0 10 4,-0.5 3,-2.3 6,-0.5 6,-0.2 -0.945 14.4-158.2-118.5 104.8 10.8 -13.6 -2.8 91 150 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.838 94.2 35.1 -55.5 -38.7 8.0 -13.2 -5.4 92 151 A H T 3 S+ 0 0 98 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.109 115.7 67.7-107.3 35.8 8.7 -9.5 -5.9 93 152 A G S < S- 0 0 11 -3,-2.3 -87,-0.1 1,-0.3 80,-0.1 -0.326 104.8 -26.3-123.2-152.0 12.5 -9.9 -5.5 94 153 A P - 0 0 18 0, 0.0 2,-2.0 0, 0.0 -4,-0.5 -0.352 67.8-111.9 -62.5 147.7 15.1 -11.5 -7.6 95 154 A N S S+ 0 0 169 -3,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.416 80.6 101.8 -83.3 64.3 13.8 -14.4 -9.7 96 155 A V - 0 0 45 -2,-2.0 -6,-0.5 -6,-0.2 2,-0.4 -0.894 60.2-138.2-138.6 168.0 15.6 -17.2 -7.8 97 156 A T E - 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