==== 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 08-FEB-08 2ZHT . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.SHIMIZU,N.NUKINA . 370 3 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 69.5 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 . 112 30.3 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 . 46 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.5 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 . 1 4 4 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 -1 A F >> 0 0 94 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -24.9 65.0 61.9 -14.8 2 0 A V T 34 + 0 0 120 1,-0.3 3,-0.4 2,-0.2 171,-0.0 0.822 360.0 53.7 -62.6 -32.8 68.1 61.3 -17.0 3 1 A E T 34 S+ 0 0 95 1,-0.2 -1,-0.3 89,-0.0 0, 0.0 0.596 105.8 54.6 -78.5 -10.3 70.4 63.1 -14.5 4 2 A M T X4 S+ 0 0 5 -3,-1.1 3,-1.5 2,-0.0 163,-0.7 0.568 82.5 110.2 -95.7 -14.6 69.1 60.8 -11.7 5 3 A V T 3< S+ 0 0 56 -4,-0.7 161,-0.1 -3,-0.4 -3,-0.0 -0.377 87.5 10.1 -63.3 137.7 70.0 57.6 -13.6 6 4 A D T 3 S+ 0 0 81 149,-0.1 -1,-0.3 1,-0.1 160,-0.2 0.754 84.1 135.8 64.7 26.3 72.9 55.7 -12.1 7 5 A N < + 0 0 15 -3,-1.5 12,-0.6 84,-0.1 2,-0.4 0.336 50.8 82.4 -86.5 9.0 72.8 57.9 -9.0 8 6 A L E +AB 18 165A 0 157,-1.8 157,-1.5 10,-0.1 2,-0.3 -0.919 52.7 168.0-116.7 141.9 73.2 54.8 -6.7 9 7 A R E +AB 17 164A 96 8,-2.2 8,-3.2 -2,-0.4 2,-0.3 -0.851 9.5 126.0-139.5 173.6 76.4 53.0 -5.8 10 8 A G E -AB 16 163A 3 153,-0.8 153,-2.5 -2,-0.3 2,-0.4 -0.953 48.8 -80.8 159.9-177.4 77.6 50.4 -3.3 11 9 A K E > - B 0 162A 90 4,-0.6 3,-3.4 -2,-0.3 4,-0.3 -0.925 56.7 -85.9-118.9 144.8 79.3 47.1 -2.7 12 10 A S T 3 S+ 0 0 48 149,-2.0 213,-0.0 -2,-0.4 150,-0.0 -0.249 118.7 8.4 -49.2 119.4 77.8 43.6 -3.1 13 11 A G T 3 S+ 0 0 43 212,-0.0 -1,-0.3 211,-0.0 212,-0.1 0.312 110.7 89.2 89.6 -8.6 76.1 42.9 0.2 14 12 A Q S < S- 0 0 45 -3,-3.4 -2,-0.2 1,-0.2 102,-0.1 0.219 91.4-116.8-105.7 14.5 76.6 46.4 1.6 15 13 A G - 0 0 19 -4,-0.3 -4,-0.6 -5,-0.1 2,-0.4 0.087 33.3 -73.5 74.5 168.6 73.4 48.1 0.3 16 14 A Y E -A 10 0A 10 206,-0.4 17,-2.8 17,-0.4 2,-0.3 -0.842 45.4-165.2-103.8 139.9 73.0 50.9 -2.2 17 15 A Y E -AC 9 32A 30 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.3 -0.923 7.7-153.4-126.8 152.0 73.8 54.5 -1.3 18 16 A V E -AC 8 31A 1 13,-2.8 13,-3.3 -2,-0.3 2,-0.3 -0.876 28.4-107.7-118.3 151.6 73.0 57.8 -2.9 19 17 A E E + C 0 30A 67 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.612 43.2 171.1 -82.3 138.8 75.0 61.1 -2.5 20 18 A M E - C 0 29A 0 9,-2.6 9,-2.7 -2,-0.3 2,-0.4 -0.936 22.7-143.2-141.1 162.1 73.4 63.8 -0.4 21 19 A T E -DC 88 28A 20 67,-2.4 67,-2.3 -2,-0.3 2,-0.3 -0.966 15.3-171.1-128.5 146.4 74.5 67.1 1.0 22 20 A V E > +DC 87 27A 1 5,-1.5 5,-2.7 -2,-0.4 65,-0.2 -0.979 42.8 5.5-137.3 147.8 73.6 68.6 4.4 23 21 A G T 5S- 0 0 6 63,-1.4 4,-0.1 -2,-0.3 36,-0.1 0.070 88.8 -43.4 75.6 175.9 74.1 72.0 6.0 24 22 A S T 5S+ 0 0 33 2,-0.1 36,-2.3 1,-0.1 37,-0.2 -0.976 132.5 29.8-131.5 115.4 75.4 75.4 4.9 25 23 A P T 5S- 0 0 99 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 0.593 121.5-101.7 -66.2 162.6 77.8 75.3 3.3 26 24 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.315 30.2-152.5 -61.9 132.0 76.8 71.9 1.9 27 25 A Q E < -C 22 0A 34 -5,-2.7 -5,-1.5 -4,-0.1 2,-0.2 -0.926 14.5-137.3-108.4 115.4 78.4 68.8 3.4 28 26 A T E +C 21 0A 55 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.510 31.2 163.2 -75.9 135.0 78.6 65.8 1.1 29 27 A L E -C 20 0A 3 -9,-2.7 -9,-2.6 -2,-0.2 2,-0.6 -0.991 37.4-123.1-149.7 147.7 77.8 62.3 2.4 30 28 A N E -C 19 0A 10 -2,-0.3 88,-2.8 -11,-0.2 89,-1.0 -0.854 34.2-162.7 -94.5 125.6 77.0 58.9 1.0 31 29 A I E -Ce 18 119A 0 -13,-3.3 -13,-2.8 -2,-0.6 89,-0.3 -0.934 18.2-122.5-120.6 127.3 73.6 57.7 2.3 32 30 A L E -Ce 17 120A 24 87,-3.2 89,-3.6 -2,-0.5 2,-0.8 -0.364 23.2-134.8 -62.0 135.3 72.1 54.2 2.4 33 31 A V E + e 0 121A 2 -17,-2.8 2,-0.5 87,-0.2 -17,-0.4 -0.849 32.7 175.2 -95.7 109.7 68.8 54.0 0.6 34 32 A D E > + e 0 122A 19 87,-2.3 89,-2.5 -2,-0.8 3,-1.0 -0.909 26.5 176.8-125.6 105.9 66.6 52.0 3.0 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.4 1,-0.2 185,-0.2 0.464 81.6 72.1 -82.1 1.1 62.9 51.4 2.3 36 34 A G T 3 S+ 0 0 14 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.328 102.0 33.3 -97.0 6.5 62.9 49.2 5.4 37 35 A S < - 0 0 21 -3,-1.0 87,-2.9 84,-0.1 86,-0.1 -0.908 64.6-140.9-148.9 173.9 63.2 52.0 8.0 38 36 A S + 0 0 2 90,-0.4 2,-0.3 -2,-0.3 100,-0.3 0.360 61.8 96.1-128.2 7.0 62.1 55.7 8.4 39 37 A N - 0 0 11 89,-0.1 83,-2.2 98,-0.1 2,-0.7 -0.740 57.4-144.2-101.9 151.0 64.9 57.8 10.0 40 38 A F E +F 121 0A 7 -2,-0.3 62,-2.5 81,-0.2 2,-0.4 -0.950 38.0 163.9-108.8 105.7 67.5 60.0 8.2 41 39 A A E -Fg 120 102A 0 79,-1.9 79,-2.7 -2,-0.7 2,-0.4 -0.992 16.9-172.4-132.3 133.9 70.6 59.5 10.4 42 40 A V E -Fg 119 103A 0 60,-2.2 62,-2.4 -2,-0.4 77,-0.2 -0.965 35.8-101.7-128.6 140.8 74.2 60.3 9.6 43 41 A G E + g 0 104A 1 75,-2.9 11,-3.1 -2,-0.4 62,-0.2 -0.347 38.6 177.3 -53.8 132.7 77.4 59.6 11.5 44 42 A A + 0 0 5 60,-3.0 12,-0.2 9,-0.3 -1,-0.1 0.017 58.4 54.6-131.3 26.1 78.3 62.9 13.2 45 43 A A S S- 0 0 32 59,-0.2 2,-2.4 7,-0.1 9,-0.1 -0.965 98.9 -89.4-154.5 148.4 81.4 61.9 15.1 46 44 A P + 0 0 91 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.312 47.8 175.4 -65.6 68.1 84.7 60.3 13.9 47 45 A H > - 0 0 57 -2,-2.4 3,-1.9 1,-0.1 5,-0.0 -0.557 40.7-120.3 -68.6 137.6 83.9 56.6 14.2 48 46 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.698 109.1 60.1 -55.8 -21.9 87.0 54.8 12.7 49 47 A F T 3 S+ 0 0 74 64,-0.1 65,-0.5 65,-0.0 2,-0.3 0.619 87.7 99.1 -81.5 -12.9 85.0 53.0 10.0 50 48 A L < - 0 0 25 -3,-1.9 3,-0.1 1,-0.1 68,-0.1 -0.575 56.7-161.1 -86.4 137.6 83.8 56.3 8.5 51 49 A H S S- 0 0 125 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.778 84.2 -17.8 -77.0 -29.0 85.3 58.1 5.5 52 50 A R - 0 0 82 -7,-0.1 2,-0.3 65,-0.1 -1,-0.3 -0.966 64.6-148.6-165.4 171.3 83.6 61.3 6.7 53 51 A Y - 0 0 75 -2,-0.3 -9,-0.3 -3,-0.1 2,-0.2 -0.991 29.7 -92.3-153.1 157.8 80.9 62.5 9.0 54 52 A Y - 0 0 1 -11,-3.1 2,-0.6 -2,-0.3 3,-0.1 -0.514 31.0-159.7 -72.0 133.2 78.3 65.3 9.5 55 53 A Q > - 0 0 52 -2,-0.2 3,-1.5 1,-0.2 4,-0.1 -0.835 8.7-175.4-120.7 90.2 79.6 68.3 11.5 56 54 A R G > S+ 0 0 56 -2,-0.6 3,-3.1 1,-0.3 6,-0.3 0.898 79.9 66.4 -45.0 -54.1 76.6 70.2 12.8 57 55 A Q G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -3,-0.1 5,-0.0 0.748 98.3 53.2 -41.1 -36.9 78.9 72.9 14.3 58 56 A L G < S+ 0 0 108 -3,-1.5 2,-0.5 2,-0.0 -1,-0.3 0.359 91.1 89.1 -89.1 7.6 80.0 73.9 10.8 59 57 A S X - 0 0 10 -3,-3.1 3,-0.7 -4,-0.1 -36,-0.1 -0.917 54.5-165.5-110.9 123.4 76.5 74.5 9.5 60 58 A S T 3 S+ 0 0 104 -36,-2.3 -1,-0.1 -2,-0.5 -3,-0.0 0.667 92.2 53.3 -77.5 -16.6 74.8 77.9 9.8 61 59 A T T 3 S+ 0 0 31 -37,-0.2 -1,-0.2 -36,-0.1 2,-0.2 0.435 82.4 119.2 -97.3 0.9 71.4 76.4 9.0 62 60 A Y < - 0 0 45 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.440 43.6-167.8 -70.1 136.0 71.6 73.7 11.6 63 61 A R E -H 84 0A 145 21,-2.2 21,-1.9 -2,-0.2 2,-0.3 -0.978 15.5-138.9-128.6 118.2 68.9 73.8 14.3 64 62 A D E -H 83 0A 84 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.575 5.3-160.3 -74.5 132.2 69.3 71.6 17.5 65 63 A L E - 0 0 74 17,-2.2 18,-0.2 -2,-0.3 -1,-0.1 0.423 32.1-130.9 -91.3 1.0 66.0 70.0 18.5 66 64 A R E S+ 0 0 227 16,-0.4 2,-0.3 1,-0.2 17,-0.1 0.905 70.2 106.9 50.2 49.2 67.4 69.5 21.9 67 65 A K E - 0 0 89 15,-0.5 15,-3.4 2,-0.0 -2,-0.2 -0.974 58.8-136.8-156.6 140.3 66.3 65.9 22.0 68 66 A G E -H 81 0A 45 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.543 10.2-155.4 -97.2 164.0 68.0 62.5 21.7 69 67 A V E -H 80 0A 8 11,-2.0 11,-2.0 -2,-0.2 2,-0.4 -0.991 2.6-164.6-138.4 143.5 67.1 59.4 19.8 70 68 A Y E -H 79 0A 124 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.977 2.4-172.4-134.5 119.2 68.0 55.7 20.4 71 69 A V E -H 78 0A 2 7,-3.2 7,-1.8 -2,-0.4 2,-0.2 -0.886 10.6-166.6-118.2 102.7 67.6 53.0 17.8 72 70 A P E -H 77 0A 59 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.519 5.5-175.7 -86.4 152.4 68.2 49.4 19.1 73 71 A Y - 0 0 102 3,-2.8 36,-0.0 -2,-0.2 5,-0.0 -0.527 50.0 -67.2-127.3-164.7 68.7 46.3 17.0 74 72 A T S S- 0 0 140 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.943 125.2 -14.3 -55.4 -52.4 69.1 42.5 17.6 75 73 A Q S S+ 0 0 162 34,-0.1 2,-0.2 33,-0.1 -1,-0.2 0.313 133.5 35.6-135.2 4.1 72.5 43.0 19.2 76 74 A G + 0 0 9 33,-0.1 -3,-2.8 34,-0.0 2,-0.3 -0.569 56.2 176.2-137.9-158.8 73.5 46.6 18.3 77 75 A K E -HI 72 108A 29 31,-2.4 31,-3.0 -5,-0.3 2,-0.3 -0.979 22.0-120.0 170.9 180.0 72.2 50.1 17.8 78 76 A W E -HI 71 107A 4 -7,-1.8 -7,-3.2 -2,-0.3 2,-0.3 -0.983 22.2-178.5-146.8 147.4 72.8 53.8 17.1 79 77 A E E +HI 70 106A 58 27,-2.4 26,-1.8 -2,-0.3 27,-1.6 -0.974 14.5 134.9-145.0 155.7 72.0 56.9 19.1 80 78 A G E -HI 69 104A 8 -11,-2.0 -11,-2.0 -2,-0.3 2,-0.4 -0.955 48.3 -59.3-174.4-166.7 72.3 60.6 18.6 81 79 A E E -HI 68 103A 46 22,-1.8 22,-2.8 -2,-0.3 -13,-0.2 -0.845 43.6-132.7-104.3 133.7 71.0 64.1 18.7 82 80 A L E + I 0 102A 1 -15,-3.4 -17,-2.2 -2,-0.4 -15,-0.5 -0.515 43.0 127.1 -83.8 152.9 67.9 65.2 16.8 83 81 A G E -HI 64 101A 0 18,-0.9 18,-2.7 -19,-0.3 2,-0.3 -0.959 44.2-110.8-178.0-173.1 67.8 68.4 14.7 84 82 A T E +HI 63 100A 16 -21,-1.9 -21,-2.2 -2,-0.3 2,-0.3 -0.919 31.2 157.5-137.6 162.6 67.0 69.8 11.3 85 83 A D E - I 0 99A 0 14,-1.2 14,-2.0 -2,-0.3 2,-0.5 -0.955 49.8 -69.5-170.6 174.4 69.1 71.3 8.4 86 84 A L E - I 0 98A 52 -2,-0.3 -63,-1.4 12,-0.2 2,-0.4 -0.699 50.6-166.2 -83.5 125.2 68.9 71.9 4.7 87 85 A V E +DI 22 97A 1 10,-3.8 10,-2.2 -2,-0.5 2,-0.3 -0.908 9.7 175.5-117.3 139.5 69.2 68.7 2.7 88 86 A S E -DI 21 96A 28 -67,-2.3 -67,-2.4 -2,-0.4 8,-0.1 -0.963 25.7-143.9-140.1 157.3 69.8 68.2 -1.0 89 87 A I > - 0 0 6 6,-0.6 3,-2.2 4,-0.5 -69,-0.2 -0.867 11.3-159.7-123.9 94.7 70.3 65.4 -3.4 90 88 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.819 94.5 37.0 -39.8 -46.4 72.9 66.4 -6.1 91 89 A H T 3 S+ 0 0 94 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.212 114.5 65.6-106.5 43.9 71.7 63.7 -8.5 92 90 A G S < S- 0 0 5 -3,-2.2 76,-0.1 1,-0.3 -87,-0.0 -0.564 103.1 -26.7-137.6-159.0 68.0 64.0 -7.7 93 91 A P - 0 0 19 0, 0.0 2,-2.4 0, 0.0 -4,-0.5 -0.278 68.7-109.6 -59.5 146.1 65.4 66.7 -8.1 94 92 A N S S+ 0 0 166 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.419 81.4 103.9 -77.8 69.0 66.9 70.2 -8.1 95 93 A V - 0 0 44 -2,-2.4 -6,-0.6 -6,-0.2 2,-0.4 -0.911 55.5-146.1-142.7 169.2 65.5 71.2 -4.7 96 94 A T E - 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