==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-APR-07 2PH6 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MUNSHI . 371 3 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 66.3 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 . 107 28.8 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 . 43 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.7 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 . 3 4 2 2 3 4 1 0 0 0 1 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 45PA G > 0 0 94 0, 0.0 3,-1.3 0, 0.0 171,-0.1 0.000 360.0 360.0 360.0 154.2 38.8 41.0 32.9 2 46PA S T 3 + 0 0 116 1,-0.3 3,-0.3 2,-0.1 170,-0.1 0.713 360.0 57.1 -75.0 -19.9 41.1 38.1 32.0 3 47PA F T > S+ 0 0 52 1,-0.2 3,-2.3 168,-0.1 4,-0.5 0.204 70.4 122.2 -90.5 13.9 40.5 38.5 28.3 4 48PA V G X + 0 0 91 -3,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.738 62.7 62.4 -49.1 -35.0 41.8 42.2 28.4 5 1 A E G 3 S+ 0 0 167 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.628 102.8 52.4 -72.9 -11.4 44.6 41.7 25.8 6 2 A M G X S+ 0 0 22 -3,-2.3 3,-1.2 159,-0.0 160,-0.6 0.519 85.2 107.0 -95.3 -10.2 42.0 40.8 23.2 7 3 A V T < S+ 0 0 33 -3,-1.1 158,-0.1 -4,-0.5 -3,-0.0 -0.478 88.2 11.1 -71.5 140.1 39.9 43.9 23.8 8 4 A D T 3 S+ 0 0 96 -2,-0.1 -1,-0.3 149,-0.1 157,-0.2 0.764 84.3 134.1 63.2 30.6 40.2 46.6 21.0 9 5 A N < + 0 0 17 -3,-1.2 12,-0.5 84,-0.1 2,-0.3 0.478 50.9 81.6 -86.3 -2.6 42.0 44.1 18.7 10 6 A L E -AB 20 164A 0 154,-2.5 154,-1.1 10,-0.1 2,-0.3 -0.807 55.6-172.3-105.4 144.3 39.8 45.1 15.7 11 7 A R E +A 19 0A 125 8,-2.0 8,-2.8 -2,-0.3 2,-0.1 -0.906 33.8 112.8-126.4 160.7 40.1 48.0 13.4 12 8 A G + 0 0 12 -2,-0.3 2,-3.1 6,-0.2 6,-0.1 -0.395 15.7 141.3-178.9 -93.3 37.8 49.3 10.6 13 9 A K + 0 0 110 146,-0.3 148,-0.1 1,-0.2 5,-0.1 -0.178 64.3 80.0 58.3 -47.2 36.1 52.7 11.2 14 10 A S S S- 0 0 71 -2,-3.1 -1,-0.2 3,-0.1 103,-0.0 0.574 110.6-119.6 -57.8 -10.2 36.5 53.8 7.5 15 11 A G S S+ 0 0 35 2,-0.1 3,-0.1 102,-0.1 -2,-0.1 0.679 84.9 111.4 81.2 21.6 33.4 51.6 7.3 16 12 A Q S S- 0 0 65 1,-0.3 103,-0.1 101,-0.1 98,-0.1 0.180 86.7 -44.6-115.8 16.6 34.9 49.1 4.9 17 13 A G - 0 0 20 206,-0.0 2,-0.5 2,-0.0 -1,-0.3 -0.113 53.2-102.7 127.7 138.3 35.3 45.9 7.0 18 14 A Y - 0 0 14 203,-0.4 17,-3.1 17,-0.3 2,-0.3 -0.761 43.7-174.8 -90.9 124.5 36.5 44.9 10.5 19 15 A Y E -AC 11 34A 28 -8,-2.8 -8,-2.0 -2,-0.5 2,-0.3 -0.891 16.9-158.1-126.6 151.5 39.9 43.3 10.5 20 16 A V E -AC 10 33A 2 13,-2.6 13,-3.0 -2,-0.3 2,-0.3 -0.892 30.8-107.2-120.4 149.4 42.3 41.6 13.0 21 17 A E E - C 0 32A 73 -12,-0.5 72,-0.4 -2,-0.3 2,-0.4 -0.631 37.2-176.9 -76.2 134.7 46.0 41.1 12.7 22 18 A M E - C 0 31A 0 9,-2.4 9,-2.6 -2,-0.3 2,-0.5 -0.995 17.0-143.7-135.0 141.1 47.2 37.6 12.0 23 19 A T E -DC 90 30A 19 67,-3.2 67,-2.4 -2,-0.4 2,-0.4 -0.919 20.9-171.0-113.6 122.7 50.7 36.4 11.8 24 20 A V E > -DC 89 29A 0 5,-2.8 5,-1.3 -2,-0.5 65,-0.2 -0.918 37.0 -10.6-120.5 137.8 51.5 33.8 9.2 25 21 A G T 5S- 0 0 12 63,-2.8 4,-0.2 -2,-0.4 36,-0.1 -0.055 85.8 -42.0 80.5-174.5 54.6 31.6 8.5 26 22 A S T 5S+ 0 0 45 2,-0.2 36,-2.8 3,-0.0 37,-0.4 -0.983 125.4 31.6-144.7 118.8 58.2 31.6 9.7 27 23 A P T 5S- 0 0 89 0, 0.0 36,-0.1 0, 0.0 -3,-0.1 0.652 121.3 -93.0 -57.6 164.9 59.8 34.2 10.0 28 24 A P T 5 - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.252 39.7-172.0 -61.8 135.4 56.6 36.0 10.9 29 25 A Q E < -C 24 0A 28 -5,-1.3 -5,-2.8 -4,-0.2 2,-0.5 -0.947 11.8-158.5-124.6 111.6 54.5 37.9 8.3 30 26 A T E +C 23 0A 42 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.763 15.9 172.4 -96.2 130.4 51.7 39.9 9.8 31 27 A L E -C 22 0A 3 -9,-2.6 -9,-2.4 -2,-0.5 2,-0.5 -0.923 36.7-109.4-132.6 155.4 48.7 40.9 7.7 32 28 A N E -C 21 0A 11 -2,-0.3 88,-3.1 -11,-0.2 89,-0.7 -0.781 39.6-163.6 -87.2 124.5 45.3 42.6 8.4 33 29 A I E -Ce 20 121A 0 -13,-3.0 -13,-2.6 -2,-0.5 89,-0.3 -0.940 19.0-121.4-124.5 123.7 42.5 40.1 8.0 34 30 A L E -Ce 19 122A 9 87,-3.0 89,-3.5 -2,-0.5 2,-0.7 -0.408 23.1-132.8 -60.2 127.8 38.8 40.6 7.5 35 31 A V E + e 0 123A 1 -17,-3.1 2,-0.5 87,-0.2 -17,-0.3 -0.777 35.8 176.9 -84.9 114.0 36.7 39.0 10.3 36 32 A D E > + e 0 124A 12 87,-2.2 89,-2.8 -2,-0.7 3,-0.7 -0.928 27.3 174.9-132.2 106.1 34.0 37.2 8.2 37 33 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.4 1,-0.2 182,-0.2 0.467 77.2 72.6 -88.7 0.0 31.3 35.0 9.8 38 34 A G T 3 S+ 0 0 14 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.321 101.3 36.4 -93.3 7.5 29.6 34.5 6.4 39 35 A S < - 0 0 7 -3,-0.7 87,-3.1 84,-0.1 92,-0.1 -0.907 63.1-140.2-151.9 175.2 32.2 32.2 4.9 40 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.250 63.9 98.9-132.6 10.7 34.6 29.4 5.9 41 37 A N - 0 0 6 98,-0.1 83,-1.4 89,-0.1 2,-0.6 -0.867 55.8-147.4-104.7 137.1 37.9 30.0 4.0 42 38 A F E +F 123 0A 9 -2,-0.4 62,-2.3 81,-0.2 2,-0.3 -0.920 36.3 161.0 -94.9 122.1 41.1 31.5 5.4 43 39 A A E -Fg 122 104A 0 79,-2.2 79,-3.0 -2,-0.6 2,-0.4 -0.999 21.2-166.4-148.3 142.8 42.8 33.4 2.5 44 40 A V E -Fg 121 105A 0 60,-2.7 62,-3.4 -2,-0.3 77,-0.3 -0.977 35.0-100.5-132.2 142.9 45.3 36.1 2.1 45 41 A G E + g 0 106A 0 75,-3.4 11,-3.1 -2,-0.4 62,-0.2 -0.400 39.9 176.4 -53.6 130.5 46.5 38.3 -0.8 46 42 A A + 0 0 12 60,-3.1 12,-0.2 9,-0.3 61,-0.1 0.155 57.3 42.3-130.7 18.3 49.7 36.7 -2.0 47 43 A A S S- 0 0 29 59,-0.3 9,-0.1 7,-0.1 -1,-0.1 -0.964 99.3 -72.8-155.5 156.7 50.6 38.8 -5.1 48 44 A P + 0 0 101 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.197 50.4 172.6 -54.8 147.9 50.7 42.6 -5.7 49 45 A H > - 0 0 52 3,-0.4 3,-1.8 -4,-0.1 59,-0.0 -0.942 42.3-117.5-154.2 142.3 47.2 44.2 -6.2 50 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.776 115.3 46.9 -56.0 -28.5 46.5 48.0 -6.6 51 47 A F T 3 S+ 0 0 81 64,-0.1 2,-0.4 -3,-0.0 65,-0.3 0.457 96.3 89.3 -93.6 -2.3 44.4 47.9 -3.4 52 48 A L < - 0 0 21 -3,-1.8 -3,-0.4 1,-0.1 3,-0.1 -0.840 48.8-171.4-103.3 131.2 46.9 46.0 -1.2 53 49 A H S S+ 0 0 143 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.812 79.9 3.5 -82.2 -36.1 49.6 47.6 0.9 54 50 A R - 0 0 91 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.905 66.7-168.4-141.8 169.6 51.2 44.2 1.7 55 51 A Y - 0 0 72 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.3 -0.976 34.5 -81.3-156.3 165.4 50.8 40.5 0.9 56 52 A Y - 0 0 1 -11,-3.1 2,-0.7 -2,-0.3 -31,-0.0 -0.579 32.0-160.8 -73.3 123.4 51.9 37.0 1.8 57 53 A Q > - 0 0 70 -2,-0.4 3,-0.8 1,-0.2 4,-0.4 -0.862 7.1-175.5-108.1 96.1 55.2 35.9 0.4 58 54 A R G > S+ 0 0 59 -2,-0.7 3,-1.6 1,-0.2 6,-0.3 0.830 78.5 63.0 -60.4 -39.6 55.2 32.1 0.6 59 55 A Q G 3 S+ 0 0 148 1,-0.3 -1,-0.2 3,-0.0 5,-0.0 0.848 101.8 53.9 -54.2 -36.8 58.8 31.7 -0.7 60 56 A L G < S+ 0 0 97 -3,-0.8 2,-0.7 1,-0.1 -1,-0.3 0.573 92.9 84.6 -76.6 -10.7 60.0 33.6 2.5 61 57 A S X - 0 0 7 -3,-1.6 3,-1.1 -4,-0.4 -36,-0.1 -0.841 57.0-169.2 -99.1 112.4 58.1 31.2 4.8 62 58 A S T 3 S+ 0 0 101 -36,-2.8 -1,-0.1 -2,-0.7 -4,-0.0 0.725 87.3 53.1 -70.0 -21.7 60.1 28.0 5.7 63 59 A T T 3 S+ 0 0 30 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.2 0.419 80.0 117.2 -96.4 -1.2 57.0 26.4 7.3 64 60 A Y < - 0 0 34 -3,-1.1 2,-0.5 -6,-0.3 23,-0.2 -0.505 46.6-163.9 -70.6 133.1 54.7 26.8 4.3 65 61 A R E -H 86 0A 150 21,-2.8 21,-2.2 -2,-0.2 2,-0.3 -0.957 13.1-139.7-123.9 111.2 53.5 23.5 2.7 66 62 A D E -H 85 0A 75 -2,-0.5 19,-0.3 19,-0.2 18,-0.0 -0.505 4.3-158.1 -72.6 127.8 52.0 23.7 -0.8 67 63 A L E - 0 0 80 17,-2.5 18,-0.2 -2,-0.3 -1,-0.1 0.477 31.1-130.8 -84.9 -2.0 49.0 21.4 -1.1 68 64 A R E S+ 0 0 225 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.860 70.5 109.5 55.6 44.1 49.5 21.4 -4.9 69 65 A K E - 0 0 87 15,-0.5 15,-2.9 2,-0.0 -2,-0.2 -0.996 61.9-130.2-151.3 137.6 45.8 22.3 -5.5 70 66 A G E -H 83 0A 47 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.464 16.9-158.0 -88.2 162.0 43.9 25.4 -6.7 71 67 A V E -H 82 0A 10 11,-2.5 11,-2.6 -2,-0.1 2,-0.4 -0.992 7.9-170.8-144.1 137.1 41.0 27.1 -5.1 72 68 A Y E -H 81 0A 138 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.994 6.6-173.6-125.2 127.5 38.3 29.4 -6.5 73 69 A V E -H 80 0A 5 7,-2.8 7,-1.9 -2,-0.4 2,-0.5 -0.923 3.7-173.8-127.7 107.5 35.9 31.2 -4.2 74 70 A P E -H 79 0A 47 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.861 13.1-170.4 -96.2 134.8 33.0 33.3 -5.5 75 71 A Y - 0 0 58 3,-3.0 3,-0.2 -2,-0.5 -36,-0.0 -0.489 45.1 -91.4-105.8-178.9 31.0 35.2 -2.9 76 72 A T S S+ 0 0 112 1,-0.3 2,-0.4 -2,-0.2 3,-0.1 0.844 125.9 26.2 -53.7 -38.1 27.7 37.2 -2.9 77 73 A Q S S- 0 0 134 1,-0.1 -1,-0.3 35,-0.0 34,-0.0 -0.973 126.0 -13.3-132.1 117.1 30.1 40.0 -3.7 78 74 A G - 0 0 19 -2,-0.4 -3,-3.0 -3,-0.2 2,-0.3 -0.026 60.0-132.5 86.7 169.9 33.4 39.5 -5.5 79 75 A A E -HI 74 110A 11 31,-1.9 31,-2.5 -5,-0.2 2,-0.3 -0.987 12.4-164.7-158.3 156.2 35.6 36.4 -6.2 80 76 A W E -HI 73 109A 1 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.4 -0.986 8.1-152.8-146.6 159.5 39.1 35.2 -5.9 81 77 A A E +HI 72 108A 22 27,-2.5 26,-1.9 -2,-0.3 27,-1.6 -0.970 31.1 137.0-128.2 143.7 41.4 32.4 -7.2 82 78 A G E -HI 71 106A 10 -11,-2.6 -11,-2.5 -2,-0.4 2,-0.4 -0.935 46.5 -80.0-164.8-168.5 44.5 31.1 -5.4 83 79 A E E -HI 70 105A 47 22,-1.9 22,-2.9 -2,-0.3 2,-0.3 -0.893 36.7-128.6-113.8 138.6 46.7 28.2 -4.3 84 80 A L E + I 0 104A 0 -15,-2.9 -17,-2.5 -2,-0.4 -16,-0.5 -0.630 43.2 132.0 -86.7 142.5 46.1 25.9 -1.3 85 81 A G E -HI 66 103A 0 18,-1.5 18,-2.8 -2,-0.3 2,-0.3 -0.934 44.0-114.3-163.3-177.9 48.7 25.2 1.3 86 82 A T E +HI 65 102A 18 -21,-2.2 -21,-2.8 -2,-0.3 2,-0.3 -0.962 32.8 161.5-127.6 154.4 49.2 25.1 5.1 87 83 A D E - I 0 101A 0 14,-1.8 14,-2.5 -2,-0.3 2,-0.2 -0.962 45.6 -79.1-157.7 166.0 51.3 27.3 7.3 88 84 A L E - I 0 100A 61 -2,-0.3 -63,-2.8 12,-0.2 2,-0.4 -0.555 49.3-172.5 -70.5 137.3 51.7 28.3 11.0 89 85 A V E +DI 24 99A 2 10,-2.6 10,-2.5 -2,-0.2 2,-0.3 -0.999 12.0 168.6-138.6 131.7 49.2 31.0 12.1 90 86 A S E -D 23 0A 32 -67,-2.4 -67,-3.2 -2,-0.4 8,-0.1 -0.910 29.0-137.7-134.7 165.7 48.8 33.0 15.2 91 87 A I > - 0 0 6 4,-0.6 3,-2.5 6,-0.4 -69,-0.2 -0.949 13.6-156.8-123.0 101.5 46.8 36.1 16.3 92 88 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.791 96.1 35.4 -55.3 -30.9 49.1 38.4 18.3 93 89 A H T 3 S+ 0 0 87 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.021 118.1 59.7-111.4 26.8 46.0 40.0 20.0 94 90 A G S < S- 0 0 12 -3,-2.5 -87,-0.1 1,-0.3 73,-0.1 -0.235 104.6 -14.7-120.9-143.0 44.0 36.8 20.2 95 91 A P - 0 0 8 0, 0.0 2,-1.8 0, 0.0 -4,-0.6 -0.253 63.5-116.9 -67.4 149.7 44.6 33.4 21.8 96 92 A N S S+ 0 0 175 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.556 81.7 94.9 -88.1 71.7 48.1 32.6 23.0 97 93 A V - 0 0 38 -2,-1.8 -6,-0.4 -6,-0.2 2,-0.4 -0.941 60.7-143.0-150.2 162.3 48.5 29.6 20.6 98 94 A T - 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