==== 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 23-MAY-07 2Q15 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.SHARFF . 384 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 39 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 0 0 1 0 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 6 2 0 4 4 0 1 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 1 1 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 E 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.5 72.3 61.3 -16.5 2 2 A M > + 0 0 30 174,-0.0 3,-1.2 2,-0.0 172,-0.6 0.354 360.0 113.1 -89.4 -0.3 70.9 59.6 -13.3 3 3 A V T 3 S+ 0 0 59 1,-0.2 170,-0.1 170,-0.1 169,-0.0 -0.507 85.9 10.1 -70.7 133.4 71.6 56.2 -15.0 4 4 A D T 3 S+ 0 0 81 -2,-0.2 -1,-0.2 1,-0.1 169,-0.2 0.759 82.1 138.8 74.2 19.0 74.3 54.3 -13.2 5 5 A N < + 0 0 14 -3,-1.2 12,-0.5 84,-0.1 2,-0.4 0.365 49.5 83.4 -78.6 7.6 74.4 56.7 -10.2 6 6 A L E +AB 16 172A 0 166,-2.0 166,-1.3 10,-0.1 2,-0.2 -0.933 51.1 167.3-117.3 137.7 74.7 53.9 -7.7 7 7 A R E +A 15 0A 46 8,-1.9 8,-2.2 -2,-0.4 2,-0.2 -0.806 30.8 59.6-127.2 166.1 77.8 51.9 -6.4 8 8 A G S S- 0 0 3 158,-0.5 6,-0.2 -2,-0.2 2,-0.1 -0.455 81.4 -37.7 136.9 -55.1 79.1 49.5 -3.8 9 9 A K - 0 0 57 4,-0.5 4,-0.3 -2,-0.2 -2,-0.1 -0.474 25.7-132.5 164.0 131.5 77.7 46.0 -3.1 10 10 A S S > S+ 0 0 9 1,-0.2 3,-0.9 2,-0.2 325,-0.2 0.979 121.2 45.8 -43.1 -49.9 74.5 43.9 -2.9 11 11 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.1 221,-0.1 0.619 121.6 31.2 -77.7 -30.9 76.3 42.9 0.4 12 12 A Q T 3 S- 0 0 58 1,-0.3 -1,-0.3 220,-0.0 -2,-0.2 -0.034 117.0-117.2-107.7 28.9 77.4 46.3 1.7 13 13 A G < - 0 0 8 -3,-0.9 -4,-0.5 -4,-0.3 2,-0.4 0.084 31.4 -69.5 60.8-177.3 74.3 48.1 0.1 14 14 A Y - 0 0 2 17,-0.4 17,-2.7 215,-0.3 2,-0.3 -0.899 44.8-164.8-117.2 141.5 74.0 50.8 -2.7 15 15 A Y E -AC 7 30A 3 -8,-2.2 -8,-1.9 -2,-0.4 2,-0.3 -0.917 7.2-155.2-133.9 146.5 75.1 54.3 -2.2 16 16 A V E -AC 6 29A 2 13,-2.4 13,-2.6 -2,-0.3 2,-0.4 -0.905 27.6-111.3-118.0 147.4 74.5 57.6 -4.1 17 17 A E E + C 0 28A 59 -12,-0.5 72,-0.4 -2,-0.3 2,-0.2 -0.670 43.5 172.0 -75.9 134.5 76.6 60.7 -4.1 18 18 A M E - C 0 27A 0 9,-2.2 9,-1.5 -2,-0.4 2,-0.4 -0.792 24.6-136.3-129.1 169.7 75.0 63.6 -2.4 19 19 A T E -DC 86 26A 20 67,-2.5 67,-2.1 -2,-0.2 2,-0.3 -0.991 16.9-170.3-125.1 143.9 76.1 67.2 -1.3 20 20 A V E > -DC 85 25A 1 5,-1.7 5,-3.5 -2,-0.4 65,-0.2 -0.981 45.7 -3.3-130.4 142.0 75.2 68.8 2.1 21 21 A G T 5S- 0 0 6 63,-1.4 4,-0.1 -2,-0.3 36,-0.1 0.245 88.3 -41.8 73.4 175.5 75.8 72.4 3.1 22 22 A S T 5S+ 0 0 32 2,-0.2 36,-2.1 -3,-0.0 37,-0.3 -0.983 130.8 29.9-126.6 123.0 77.3 75.6 1.6 23 23 A P T 5S- 0 0 95 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.664 121.6-100.9 -63.0 172.4 79.7 75.3 0.2 24 24 A P T 5 - 0 0 87 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.528 30.4-156.3 -80.1 127.8 78.7 71.7 -0.8 25 25 A Q E < -C 20 0A 28 -5,-3.5 -5,-1.7 -2,-0.3 2,-0.3 -0.870 14.2-139.6-100.2 121.1 80.2 68.8 1.0 26 26 A T E +C 19 0A 50 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.563 28.9 166.3 -79.5 130.7 80.1 65.5 -1.0 27 27 A L E -C 18 0A 3 -9,-1.5 -9,-2.2 -2,-0.3 2,-0.5 -0.988 37.1-120.5-138.1 149.6 79.3 62.2 0.9 28 28 A N E -C 17 0A 1 -2,-0.3 88,-3.2 -11,-0.2 89,-0.7 -0.857 35.1-167.5 -90.6 125.4 78.4 58.7 -0.2 29 29 A I E -Ce 16 117A 0 -13,-2.6 -13,-2.4 -2,-0.5 89,-0.3 -0.950 19.6-124.8-120.1 124.3 74.9 57.8 1.2 30 30 A L E -Ce 15 118A 16 87,-3.0 89,-3.2 -2,-0.5 2,-0.6 -0.456 23.1-130.5 -67.6 133.7 73.4 54.4 1.4 31 31 A V E + e 0 119A 3 -17,-2.7 2,-0.5 87,-0.2 -17,-0.4 -0.773 32.9 177.4 -86.7 120.2 69.9 54.2 -0.3 32 32 A D E > + e 0 120A 15 87,-2.4 89,-2.1 -2,-0.6 3,-0.9 -0.910 25.4 178.4-133.9 103.7 67.6 52.6 2.1 33 33 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.3 1,-0.2 90,-0.2 0.508 80.7 70.4 -82.5 -2.3 63.9 52.1 1.4 34 34 A G T 3 S+ 0 0 12 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.333 101.0 43.5 -92.2 9.2 63.5 50.3 4.8 35 35 A S < - 0 0 30 -3,-0.9 87,-2.5 84,-0.2 86,-0.2 -0.932 62.0-144.9-152.0 171.2 63.9 53.4 6.9 36 36 A S + 0 0 3 90,-0.4 2,-0.4 -2,-0.3 100,-0.3 0.354 61.9 94.5-130.5 8.4 62.9 57.1 7.1 37 37 A N - 0 0 13 89,-0.1 83,-1.0 98,-0.1 2,-0.6 -0.816 58.0-143.9-105.0 142.1 65.8 59.2 8.4 38 38 A F E +F 119 0A 9 -2,-0.4 62,-2.1 81,-0.2 2,-0.3 -0.963 38.4 165.6 -95.0 116.5 68.5 61.0 6.6 39 39 A A E -Fg 118 100A 0 79,-2.0 79,-2.5 -2,-0.6 2,-0.4 -0.999 13.7-173.3-143.5 124.6 71.6 60.6 8.9 40 40 A V E -Fg 117 101A 1 60,-2.5 62,-3.0 -2,-0.3 77,-0.3 -0.944 35.5 -94.6-130.6 151.1 75.3 61.2 8.2 41 41 A G E + g 0 102A 1 75,-3.3 11,-3.2 -2,-0.4 62,-0.1 -0.372 39.3 176.0 -56.5 133.5 78.6 60.6 9.9 42 42 A A + 0 0 16 60,-1.9 12,-0.2 9,-0.2 -1,-0.1 0.268 57.3 42.1-127.6 10.8 79.6 63.8 11.8 43 43 A A S S- 0 0 37 59,-0.2 2,-1.9 7,-0.1 9,-0.1 -0.906 95.9 -82.4-156.9 160.0 82.8 62.9 13.6 44 44 A P + 0 0 94 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.448 48.1 171.3 -82.2 76.0 85.9 61.0 12.8 45 45 A H > - 0 0 61 -2,-1.9 3,-1.4 1,-0.1 5,-0.0 -0.537 41.6-121.5 -73.0 137.0 85.1 57.4 13.3 46 46 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.670 106.8 57.2 -56.0 -26.4 88.0 55.4 12.0 47 47 A F T 3 S+ 0 0 78 64,-0.1 2,-0.4 66,-0.0 67,-0.4 0.549 90.4 93.7 -83.2 -16.7 86.0 53.4 9.4 48 48 A L < - 0 0 22 -3,-1.4 68,-0.1 1,-0.1 3,-0.1 -0.739 57.4-160.7 -88.0 132.6 84.8 56.5 7.6 49 49 A H S S- 0 0 108 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.724 80.8 -4.6 -68.7 -31.3 86.5 58.2 4.6 50 50 A R - 0 0 83 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.973 62.2-161.9-161.4 173.3 84.6 61.4 5.3 51 51 A Y - 0 0 75 -2,-0.3 2,-0.5 -9,-0.1 -9,-0.2 -0.988 34.5 -86.7-164.1 151.7 82.1 63.1 7.5 52 52 A Y - 0 0 4 -11,-3.2 2,-0.9 -2,-0.3 3,-0.1 -0.590 32.1-164.2 -71.9 119.4 79.8 66.1 7.7 53 53 A Q > - 0 0 59 -2,-0.5 3,-1.7 1,-0.2 4,-0.1 -0.843 4.8-172.4-106.7 90.1 81.5 69.2 9.2 54 54 A R G > S+ 0 0 47 -2,-0.9 3,-2.5 1,-0.3 6,-0.2 0.900 78.9 71.4 -51.1 -43.3 78.7 71.5 10.2 55 55 A Q G 3 S+ 0 0 149 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.719 95.1 55.4 -33.7 -39.6 81.3 74.2 11.1 56 56 A L G < S+ 0 0 95 -3,-1.7 2,-0.4 -33,-0.0 -1,-0.3 0.350 94.0 79.0 -87.5 4.1 82.0 74.6 7.3 57 57 A S < - 0 0 14 -3,-2.5 3,-0.5 -4,-0.1 -36,-0.1 -0.949 53.8-163.0-125.0 131.6 78.4 75.3 6.2 58 58 A S S S+ 0 0 107 -36,-2.1 -1,-0.1 -2,-0.4 -4,-0.0 0.732 91.2 56.3 -84.8 -18.9 76.4 78.6 6.4 59 59 A T S S+ 0 0 31 -37,-0.3 -1,-0.2 -36,-0.1 23,-0.1 0.550 77.4 118.1 -96.1 -5.2 73.1 77.1 5.9 60 60 A Y - 0 0 56 -3,-0.5 2,-0.4 -6,-0.2 23,-0.2 -0.351 42.2-173.1 -59.1 137.4 73.3 74.7 8.8 61 61 A R E -H 82 0A 133 21,-1.9 21,-1.4 -2,-0.0 2,-0.2 -0.986 18.8-131.1-135.6 128.3 70.6 75.2 11.5 62 62 A D E -H 81 0A 89 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.519 11.9-168.3 -75.2 136.8 70.4 73.5 14.8 63 63 A L E - 0 0 79 17,-2.2 18,-0.2 -2,-0.2 -1,-0.1 0.365 34.5-133.0-102.6 1.8 67.1 71.9 15.9 64 64 A R E + 0 0 228 16,-0.4 2,-0.4 1,-0.2 17,-0.1 0.780 66.5 117.9 56.8 32.5 68.4 71.4 19.4 65 65 A K E -H 80 0A 91 15,-0.6 15,-3.8 2,-0.0 -2,-0.2 -0.984 51.4-149.5-133.7 144.5 67.2 67.9 19.5 66 66 A G E -H 79 0A 48 -2,-0.4 2,-0.3 13,-0.3 13,-0.3 -0.563 8.0-157.2 -99.9 163.5 68.9 64.6 19.8 67 67 A V E -H 78 0A 8 11,-2.3 11,-2.7 -2,-0.2 2,-0.4 -0.962 4.2-165.8-145.9 143.8 67.9 61.2 18.4 68 68 A Y E -H 77 0A 137 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.988 3.6-173.3-132.0 121.6 68.8 57.7 19.5 69 69 A V E -H 76 0A 20 7,-2.9 7,-1.6 -2,-0.4 2,-0.3 -0.848 4.9-169.5-125.0 93.0 68.2 54.7 17.2 70 70 A P E +H 75 0A 74 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.629 13.0 165.8 -73.4 136.8 68.9 51.3 18.8 71 71 A Y - 0 0 161 3,-2.6 2,-1.2 -2,-0.3 5,-0.0 -0.402 57.4 -25.6-126.6-141.2 68.9 48.2 16.5 72 72 A T S S- 0 0 81 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.493 121.2 -44.3 -86.8 95.4 70.1 44.7 17.0 73 73 A Q S S+ 0 0 156 -2,-1.2 -1,-0.3 1,-0.2 2,-0.2 0.203 130.6 84.6 62.1 -14.4 72.8 45.0 19.7 74 74 A G - 0 0 11 33,-0.1 -3,-2.6 34,-0.0 2,-0.3 -0.539 57.2-177.7-102.9 175.4 74.0 48.1 17.7 75 75 A K E -HI 70 106A 18 31,-1.8 31,-3.0 -5,-0.3 2,-0.3 -0.978 18.6-151.2-155.3 163.1 73.0 51.8 17.7 76 76 A W E -HI 69 105A 17 -7,-1.6 -7,-2.9 -2,-0.3 2,-0.3 -0.977 15.4-173.0-129.9 158.9 73.4 55.2 16.2 77 77 A E E +HI 68 104A 61 27,-2.1 26,-2.7 -2,-0.3 27,-1.3 -0.988 12.3 153.8-152.7 145.8 72.8 58.5 17.9 78 78 A G E -HI 67 102A 5 -11,-2.7 -11,-2.3 -2,-0.3 2,-0.4 -0.791 39.0-102.1-158.6-178.9 72.9 62.0 16.6 79 79 A E E -HI 66 101A 83 22,-1.6 22,-2.6 -13,-0.3 2,-0.3 -0.986 40.1-119.1-129.1 135.9 71.7 65.6 16.9 80 80 A L E +HI 65 100A 1 -15,-3.8 -17,-2.2 -2,-0.4 -15,-0.6 -0.596 43.8 145.9 -90.3 138.7 69.0 67.0 14.6 81 81 A G E -HI 62 99A 3 18,-2.1 18,-2.0 -2,-0.3 2,-0.3 -0.739 35.4-127.5-148.2 179.4 69.6 69.8 12.2 82 82 A T E +HI 61 98A 19 -21,-1.4 -21,-1.9 16,-0.3 2,-0.3 -0.966 31.9 154.5-136.1 152.0 68.5 71.0 8.8 83 83 A D E - I 0 97A 0 14,-2.1 14,-2.1 -2,-0.3 2,-0.5 -0.932 47.3 -74.9-158.1-172.5 70.7 72.1 5.8 84 84 A L E - I 0 96A 52 -2,-0.3 -63,-1.4 12,-0.2 2,-0.4 -0.783 47.0-169.3 -99.7 122.3 70.7 72.3 2.0 85 85 A V E +DI 20 95A 0 10,-3.8 10,-2.4 -2,-0.5 2,-0.3 -0.891 9.8 174.5-116.7 141.5 71.0 69.0 0.1 86 86 A S E -D 19 0A 20 -67,-2.1 -67,-2.5 -2,-0.4 8,-0.1 -0.882 23.8-142.4-131.9 170.4 71.6 68.2 -3.5 87 87 A I > - 0 0 8 6,-0.4 3,-1.1 4,-0.4 -69,-0.2 -0.923 10.7-156.8-136.2 101.6 72.3 65.0 -5.6 88 88 A P T 3 S+ 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.756 95.0 40.3 -47.3 -40.1 74.8 65.6 -8.3 89 89 A H T 3 S+ 0 0 105 -72,-0.4 -84,-0.1 -84,-0.1 -72,-0.0 -0.430 113.9 67.1-110.5 56.1 73.6 62.7 -10.5 90 90 A G S < S- 0 0 9 -3,-1.1 2,-0.1 -2,-0.2 85,-0.1 -0.700 102.8 -32.6-153.8-164.4 69.9 63.4 -9.7 91 91 A P - 0 0 22 0, 0.0 2,-1.7 0, 0.0 -4,-0.4 -0.480 66.8-110.4 -73.6 139.3 67.3 66.2 -10.5 92 92 A Q S S+ 0 0 167 -2,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.480 80.1 101.1 -77.8 81.0 68.9 69.7 -10.6 93 93 A V - 0 0 39 -2,-1.7 -6,-0.4 -6,-0.2 2,-0.4 -0.939 59.0-135.6-156.2 167.8 67.4 71.1 -7.4 94 94 A T - 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