==== 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 2ZHV . 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) . 16025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 69.2 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 . 47 12.7 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 . 2 3 4 2 3 4 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 . 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 0 100 0, 0.0 3,-2.1 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 54.9 66.4 60.7 -16.9 2 0 A V G >4 + 0 0 128 1,-0.3 3,-0.7 2,-0.2 171,-0.0 0.781 360.0 67.8 -49.1 -33.0 69.8 59.6 -18.3 3 1 A E G 34 S+ 0 0 108 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.825 103.3 43.7 -58.2 -34.5 71.4 61.8 -15.7 4 2 A M G X4 S+ 0 0 3 -3,-2.1 3,-1.5 2,-0.1 163,-0.6 0.570 85.1 114.0 -90.7 -10.8 70.2 59.5 -13.0 5 3 A V T << S+ 0 0 56 -3,-0.7 161,-0.1 -4,-0.7 -3,-0.0 -0.399 87.8 7.5 -65.3 136.3 71.1 56.2 -14.6 6 4 A D T 3 S+ 0 0 116 149,-0.1 -1,-0.3 1,-0.1 160,-0.2 0.720 84.6 135.8 66.8 24.6 73.8 54.3 -12.8 7 5 A N < + 0 0 13 -3,-1.5 12,-0.5 84,-0.1 2,-0.4 0.348 50.6 82.0 -84.1 6.9 73.8 56.7 -9.9 8 6 A L E +AB 18 165A 0 157,-2.3 157,-1.5 10,-0.1 2,-0.3 -0.915 52.7 164.7-114.6 141.4 74.0 53.9 -7.4 9 7 A R E +AB 17 164A 110 8,-2.0 8,-2.9 -2,-0.4 2,-0.3 -0.833 6.7 133.3-140.7 176.9 77.1 52.0 -6.3 10 8 A G E -AB 16 163A 2 153,-0.9 153,-2.5 -2,-0.3 2,-0.4 -0.958 46.2 -88.2 161.4-177.1 78.1 49.7 -3.5 11 9 A K E > - B 0 162A 80 4,-0.6 3,-2.9 -2,-0.3 4,-0.3 -0.957 58.0 -79.6-125.0 143.8 79.9 46.5 -2.5 12 10 A S T 3 S+ 0 0 60 149,-3.3 -1,-0.0 -2,-0.4 150,-0.0 -0.089 116.0 2.7 -42.7 129.6 78.2 43.0 -2.3 13 11 A G T 3 S+ 0 0 39 1,-0.1 -1,-0.3 212,-0.1 212,-0.1 0.356 112.2 89.3 73.0 -6.5 76.3 42.7 0.9 14 12 A Q S < S- 0 0 44 -3,-2.9 -2,-0.2 1,-0.2 -1,-0.1 0.288 92.1-116.3-104.5 8.9 77.0 46.3 2.1 15 13 A G - 0 0 18 -4,-0.3 -4,-0.6 -5,-0.1 2,-0.4 0.034 30.4 -69.2 82.9 169.6 74.0 47.9 0.4 16 14 A Y E -A 10 0A 10 17,-0.4 17,-3.1 206,-0.3 2,-0.3 -0.868 47.1-170.2-104.4 133.0 73.5 50.5 -2.4 17 15 A Y E -AC 9 32A 10 -8,-2.9 -8,-2.0 -2,-0.4 2,-0.3 -0.875 11.2-155.4-124.3 155.3 74.4 54.1 -1.9 18 16 A V E -AC 8 31A 2 13,-2.6 13,-3.0 -2,-0.3 2,-0.3 -0.923 29.9-108.0-124.0 149.1 73.9 57.4 -3.8 19 17 A E E + C 0 30A 56 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.601 44.3 170.3 -78.6 137.4 76.0 60.5 -3.7 20 18 A M E - C 0 29A 1 9,-2.9 9,-2.9 -2,-0.3 2,-0.4 -0.918 23.6-140.2-139.5 163.8 74.4 63.4 -1.8 21 19 A T E -DC 88 28A 18 67,-2.4 67,-2.1 -2,-0.3 2,-0.3 -0.962 15.6-169.8-126.1 148.2 75.6 66.8 -0.6 22 20 A V E > +DC 87 27A 1 5,-2.1 5,-2.7 -2,-0.4 65,-0.2 -0.979 45.5 6.9-136.5 148.6 74.7 68.5 2.7 23 21 A G T 5S- 0 0 5 63,-1.6 4,-0.1 -2,-0.3 36,-0.1 -0.006 90.2 -47.4 76.2 178.2 75.2 72.0 4.0 24 22 A S T 5S+ 0 0 32 2,-0.1 36,-2.1 -3,-0.0 37,-0.3 -0.973 130.1 32.7-137.9 118.6 76.6 75.2 2.4 25 23 A P T 5S- 0 0 96 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.592 120.9-101.7 -62.0 162.8 79.1 75.0 0.9 26 24 A P T 5 - 0 0 91 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.393 31.1-156.7 -66.6 127.5 78.1 71.5 -0.2 27 25 A Q E < -C 22 0A 25 -5,-2.7 -5,-2.1 -2,-0.2 2,-0.3 -0.919 17.3-137.0-103.7 121.4 79.7 68.6 1.6 28 26 A T E +C 21 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.630 30.4 164.7 -84.2 134.5 79.6 65.4 -0.4 29 27 A L E -C 20 0A 2 -9,-2.9 -9,-2.9 -2,-0.3 2,-0.5 -0.973 37.3-121.7-143.5 154.6 78.8 62.0 1.2 30 28 A N E -C 19 0A 3 -2,-0.3 88,-3.1 -11,-0.2 89,-0.9 -0.890 34.8-163.0 -98.9 129.2 77.8 58.6 -0.0 31 29 A I E -Ce 18 119A 0 -13,-3.0 -13,-2.6 -2,-0.5 89,-0.3 -0.958 18.6-121.6-123.9 126.2 74.4 57.6 1.5 32 30 A L E -Ce 17 120A 18 87,-2.8 89,-3.5 -2,-0.5 2,-0.8 -0.396 24.5-132.3 -62.3 128.8 72.8 54.2 1.7 33 31 A V E + e 0 121A 2 -17,-3.1 2,-0.5 87,-0.2 -17,-0.4 -0.761 32.6 177.3 -86.8 112.7 69.4 54.0 -0.0 34 32 A D E > + e 0 122A 17 87,-2.4 89,-2.6 -2,-0.8 3,-1.1 -0.876 25.7 177.7-126.1 102.4 67.0 52.4 2.5 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.4 1,-0.2 185,-0.2 0.446 80.9 71.3 -79.1 4.8 63.3 51.9 1.7 36 34 A G T 3 S+ 0 0 13 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.373 101.4 32.5-100.8 3.3 63.1 50.1 5.1 37 35 A S < - 0 0 21 -3,-1.1 87,-2.9 84,-0.2 92,-0.1 -0.910 63.5-140.8-147.6 174.4 63.5 53.1 7.4 38 36 A S + 0 0 1 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.254 61.9 99.4-131.7 18.2 62.6 56.9 7.3 39 37 A N - 0 0 9 98,-0.1 83,-1.3 89,-0.1 2,-0.9 -0.870 58.3-144.1-108.0 139.5 65.4 58.9 8.9 40 38 A F E +F 121 0A 8 -2,-0.4 62,-2.3 81,-0.2 2,-0.4 -0.902 37.9 168.3 -98.1 104.0 68.1 60.7 7.0 41 39 A A E -Fg 120 102A 0 79,-2.1 79,-3.1 -2,-0.9 2,-0.4 -0.981 12.9-176.1-125.0 134.8 71.1 60.2 9.3 42 40 A V E -Fg 119 103A 0 60,-2.2 62,-2.9 -2,-0.4 77,-0.3 -0.973 35.2-101.0-132.7 144.3 74.8 60.9 8.5 43 41 A G E + g 0 104A 0 75,-3.2 11,-2.7 -2,-0.4 62,-0.1 -0.350 37.4 177.0 -57.5 138.5 78.0 60.3 10.4 44 42 A A + 0 0 15 60,-2.3 12,-0.2 9,-0.2 -1,-0.1 0.248 56.0 55.4-131.2 11.4 79.1 63.6 12.0 45 43 A A S S- 0 0 36 59,-0.3 2,-2.4 7,-0.1 5,-0.1 -0.939 97.0 -87.9-140.3 160.5 82.2 62.7 13.9 46 44 A P + 0 0 92 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.350 51.0 174.5 -71.4 65.6 85.5 61.0 13.0 47 45 A H > - 0 0 59 -2,-2.4 3,-1.6 1,-0.1 5,-0.0 -0.545 39.9-121.0 -69.9 138.7 84.6 57.4 13.5 48 46 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.791 109.2 55.2 -50.6 -36.7 87.6 55.2 12.3 49 47 A F T 3 S+ 0 0 75 64,-0.1 65,-0.4 62,-0.0 2,-0.3 0.641 89.4 97.5 -75.0 -16.2 85.5 53.4 9.7 50 48 A L < - 0 0 23 -3,-1.6 3,-0.1 1,-0.1 68,-0.1 -0.601 57.0-159.2 -85.5 133.8 84.3 56.6 7.9 51 49 A H S S- 0 0 123 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.794 82.6 -18.7 -72.4 -29.1 85.9 58.1 4.8 52 50 A R - 0 0 80 -7,-0.1 2,-0.3 65,-0.1 -1,-0.2 -0.962 64.8-151.6-165.0 174.3 84.3 61.4 5.7 53 51 A Y - 0 0 72 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.993 33.3 -83.2-159.1 159.7 81.6 63.0 7.8 54 52 A Y - 0 0 3 -11,-2.7 2,-0.8 -2,-0.3 3,-0.1 -0.508 34.9-161.8 -69.0 121.7 79.2 65.9 8.1 55 53 A Q > - 0 0 62 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.845 6.7-174.4-109.8 91.5 80.9 68.9 9.6 56 54 A R G > S+ 0 0 47 -2,-0.8 3,-1.8 1,-0.3 6,-0.2 0.787 78.1 68.7 -56.0 -31.4 78.1 71.1 10.9 57 55 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.709 98.2 53.1 -63.5 -19.9 80.6 73.9 11.9 58 56 A L G < S+ 0 0 93 -3,-1.9 2,-0.6 1,-0.0 -1,-0.3 0.445 91.4 90.4 -94.1 -1.5 81.3 74.5 8.2 59 57 A S X - 0 0 12 -3,-1.8 3,-0.9 -4,-0.2 -36,-0.1 -0.858 49.7-172.5-106.0 116.1 77.6 74.9 7.2 60 58 A S T 3 S+ 0 0 105 -36,-2.1 -1,-0.1 -2,-0.6 -4,-0.0 0.710 90.2 53.5 -72.8 -20.6 76.1 78.3 7.2 61 59 A T T 3 S+ 0 0 29 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.1 0.392 81.5 120.0 -95.7 2.6 72.6 76.8 6.5 62 60 A Y < - 0 0 53 -3,-0.9 2,-0.4 -6,-0.2 23,-0.2 -0.415 41.8-169.9 -68.6 141.5 72.8 74.4 9.4 63 61 A R E -H 84 0A 147 21,-2.1 21,-2.3 -2,-0.1 2,-0.3 -0.985 16.4-133.8-139.0 126.0 70.0 74.7 12.0 64 62 A D E -H 83 0A 90 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.570 10.6-167.4 -80.1 135.3 70.0 72.9 15.4 65 63 A L E - 0 0 56 17,-2.3 18,-0.2 -2,-0.3 -1,-0.1 0.451 32.3-135.9 -97.6 -4.3 66.7 71.3 16.5 66 64 A R E + 0 0 222 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.891 67.2 110.2 49.2 47.4 68.1 70.9 20.0 67 65 A K E -H 82 0A 98 15,-0.5 15,-2.9 2,-0.0 -2,-0.2 -0.990 54.9-146.1-148.0 144.2 66.8 67.3 20.2 68 66 A G E -H 81 0A 51 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.588 6.1-154.2-106.9 172.4 68.6 64.0 20.3 69 67 A V E -H 80 0A 6 11,-2.0 11,-2.5 -2,-0.2 2,-0.5 -0.956 3.4-164.4-151.7 128.3 67.6 60.6 18.8 70 68 A Y E -H 79 0A 122 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.970 5.8-171.8-116.9 121.1 68.6 57.1 19.9 71 69 A V E -H 78 0A 5 7,-3.1 7,-1.9 -2,-0.5 2,-0.2 -0.886 8.5-164.0-117.0 100.5 67.9 54.2 17.5 72 70 A P E -H 77 0A 82 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.595 3.4-167.2 -86.9 144.9 68.6 50.8 18.9 73 71 A Y - 0 0 106 3,-2.8 37,-0.0 -2,-0.2 36,-0.0 -0.625 47.3 -83.1-116.3 178.4 68.9 47.6 16.8 74 72 A T S S- 0 0 142 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.801 122.7 -11.2 -53.2 -29.5 68.9 43.9 17.7 75 73 A Q S S+ 0 0 141 33,-0.1 -1,-0.1 34,-0.1 34,-0.1 0.540 133.5 35.8-135.8 -53.3 72.6 44.4 18.6 76 74 A G + 0 0 6 33,-0.2 -3,-2.8 -4,-0.1 2,-0.3 0.085 60.1 177.5 -90.9-155.1 74.0 47.7 17.4 77 75 A K E -HI 72 108A 30 31,-3.0 31,-3.0 -5,-0.3 2,-0.3 -0.925 20.9-127.4 168.1 169.3 72.5 51.2 17.1 78 76 A W E -HI 71 107A 6 -7,-1.9 -7,-3.1 -2,-0.3 2,-0.4 -0.989 15.7-167.7-140.6 147.3 73.1 54.8 16.2 79 77 A E E +HI 70 106A 64 27,-2.9 26,-1.9 -2,-0.3 27,-1.5 -0.994 17.5 158.4-135.4 142.2 72.5 58.0 18.1 80 78 A G E -HI 69 104A 2 -11,-2.5 -11,-2.0 -2,-0.4 2,-0.5 -0.926 39.7-100.5-154.4 179.8 72.5 61.6 16.9 81 79 A E E -HI 68 103A 81 22,-2.1 22,-3.2 -2,-0.3 -13,-0.2 -0.929 39.3-129.0-110.8 127.8 71.6 65.2 17.2 82 80 A L E +HI 67 102A 0 -15,-2.9 -17,-2.3 -2,-0.5 -15,-0.5 -0.516 42.9 135.6 -81.9 143.5 68.7 66.5 15.1 83 81 A G E -HI 64 101A 1 18,-1.4 18,-3.0 -19,-0.3 2,-0.3 -0.896 41.6-116.1-162.4-175.8 69.0 69.5 12.9 84 82 A T E +HI 63 100A 17 -21,-2.3 -21,-2.1 16,-0.3 2,-0.3 -0.960 33.1 156.7-135.4 154.7 68.1 70.7 9.4 85 83 A D E - I 0 99A 0 14,-1.7 14,-2.3 -2,-0.3 2,-0.4 -0.959 48.0 -73.0-164.0 173.2 70.2 71.8 6.4 86 84 A L E - I 0 98A 47 -2,-0.3 -63,-1.6 12,-0.2 2,-0.4 -0.665 49.4-170.4 -82.6 127.8 70.2 72.1 2.7 87 85 A V E +DI 22 97A 2 10,-3.9 10,-2.4 -2,-0.4 2,-0.3 -0.927 8.3 175.5-123.2 144.4 70.4 68.7 0.9 88 86 A S E -DI 21 96A 25 -67,-2.1 -67,-2.4 -2,-0.4 8,-0.1 -0.965 26.5-139.4-143.6 158.5 70.9 67.9 -2.8 89 87 A I > - 0 0 6 6,-0.5 3,-1.4 4,-0.5 -69,-0.2 -0.883 13.6-159.1-123.0 96.5 71.4 64.8 -5.0 90 88 A P T 3 S+ 0 0 54 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.835 93.8 38.0 -38.7 -53.5 74.1 65.5 -7.7 91 89 A H T 3 S+ 0 0 95 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.387 116.5 63.4-100.5 52.3 73.0 62.8 -10.0 92 90 A G S < S- 0 0 2 -3,-1.4 76,-0.1 -2,-0.5 78,-0.0 -0.648 102.5 -21.9-147.5-156.8 69.3 63.3 -9.3 93 91 A P - 0 0 17 0, 0.0 2,-2.1 0, 0.0 -4,-0.5 -0.279 67.1-112.0 -61.4 147.0 66.8 66.2 -9.7 94 92 A N S S+ 0 0 161 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.504 81.5 96.7 -80.9 74.6 68.3 69.6 -10.1 95 93 A V - 0 0 44 -2,-2.1 -6,-0.5 -6,-0.2 2,-0.4 -0.943 58.3-142.7-151.9 169.4 67.0 71.0 -6.8 96 94 A T E - 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