==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAY-09 2WJO . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MATHIEU,A.S.DUPUY . 380 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 68.2 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 . 112 29.5 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 . 1 0.3 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 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 7.6 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 0 1 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 3 3 3 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 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 0 163 0, 0.0 4,-0.7 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0-145.9 7.0 27.8 25.5 2 0 A V T >4 + 0 0 93 2,-0.2 3,-0.6 1,-0.2 172,-0.0 0.894 360.0 59.8 -76.4 -47.1 6.5 24.5 27.3 3 1 A E T 34 S+ 0 0 109 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.782 107.7 50.0 -52.7 -31.3 10.0 22.9 27.2 4 2 A M T >4 S+ 0 0 10 2,-0.1 3,-1.6 166,-0.1 164,-0.4 0.772 82.7 109.6 -82.3 -27.9 11.3 25.9 29.1 5 3 A V T << S+ 0 0 52 -4,-0.7 162,-0.1 -3,-0.6 -3,-0.0 -0.233 88.9 12.3 -51.8 130.1 8.7 25.8 31.8 6 4 A D T 3 S+ 0 0 88 149,-0.1 -1,-0.3 1,-0.1 161,-0.2 0.712 84.6 130.0 71.7 26.4 10.3 24.7 35.1 7 5 A N < + 0 0 20 -3,-1.6 2,-0.5 84,-0.1 12,-0.5 0.323 48.3 90.8 -90.5 7.1 13.9 25.1 33.9 8 6 A L E +A 166 0A 0 158,-2.1 158,-1.6 10,-0.1 2,-0.2 -0.900 49.3 164.8-109.8 132.2 15.0 27.2 36.9 9 7 A R E +AB 165 17A 100 8,-2.3 8,-3.2 -2,-0.5 2,-0.3 -0.785 7.0 126.9-133.4 175.6 16.4 25.7 40.1 10 8 A G E -AB 164 16A 2 154,-1.0 154,-2.2 -2,-0.2 2,-0.4 -0.980 49.0 -75.4 163.5-175.5 18.3 26.9 43.3 11 9 A K E >> -AB 163 15A 42 4,-0.8 3,-3.0 -2,-0.3 4,-0.5 -0.968 61.3 -89.9-118.4 131.6 18.9 27.2 47.0 12 10 A S T 34 S+ 0 0 20 150,-2.3 151,-0.0 -2,-0.4 214,-0.0 -0.137 112.0 0.2 -44.8 122.6 16.8 29.7 49.1 13 11 A G T 34 S+ 0 0 36 1,-0.1 -1,-0.3 213,-0.1 213,-0.1 0.541 115.0 91.3 72.4 9.3 18.6 33.1 49.1 14 12 A Q T <4 S- 0 0 42 -3,-3.0 -2,-0.2 1,-0.2 98,-0.1 0.430 95.3 -97.4-110.3 -6.9 21.4 31.7 46.9 15 13 A G E < -B 11 0A 17 -4,-0.5 -4,-0.8 17,-0.1 2,-0.4 0.015 29.5 -88.7 104.8 151.4 19.9 32.5 43.5 16 14 A Y E -B 10 0A 14 17,-0.4 17,-2.6 207,-0.4 2,-0.3 -0.797 45.5-165.5 -95.3 137.1 18.0 30.9 40.7 17 15 A Y E -BC 9 32A 24 -8,-3.2 -8,-2.3 -2,-0.4 2,-0.3 -0.928 13.3-153.3-131.5 151.4 20.0 29.1 38.1 18 16 A V E - C 0 31A 2 13,-2.9 13,-3.4 -2,-0.3 2,-0.4 -0.815 28.2-110.6-115.6 155.4 19.5 27.7 34.6 19 17 A E E + C 0 30A 74 -12,-0.5 72,-0.5 -2,-0.3 2,-0.3 -0.745 42.2 170.2 -89.9 133.2 21.5 24.9 32.9 20 18 A M E - C 0 29A 0 9,-2.5 9,-2.6 -2,-0.4 2,-0.3 -0.955 23.0-144.3-137.8 158.1 23.7 25.8 30.0 21 19 A T E -DC 88 28A 23 67,-2.4 67,-2.3 -2,-0.3 2,-0.3 -0.897 16.5-174.3-120.7 152.7 26.4 24.2 27.9 22 20 A V E > +DC 87 27A 0 5,-1.7 5,-2.7 -2,-0.3 65,-0.2 -0.993 42.4 12.4-147.8 143.1 29.6 25.8 26.5 23 21 A G T 5S- 0 0 7 63,-1.7 4,-0.1 -2,-0.3 36,-0.1 0.010 88.6 -47.0 82.0 170.8 32.3 24.7 24.2 24 22 A S T 5S+ 0 0 29 1,-0.3 36,-2.4 2,-0.2 37,-0.3 -0.987 132.6 29.5-130.5 120.1 32.7 21.7 21.9 25 23 A P T 5S- 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.562 121.4 -98.0 -77.4 166.0 32.1 19.3 22.9 26 24 A P T 5 - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.089 31.1-158.5 -47.0 122.4 29.5 20.8 25.3 27 25 A Q E < -C 22 0A 26 -5,-2.7 -5,-1.7 -4,-0.1 2,-0.4 -0.925 17.3-138.0-106.1 121.2 30.6 21.4 28.9 28 26 A T E +C 21 0A 53 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.687 30.7 162.1 -86.0 131.7 27.6 21.6 31.2 29 27 A L E -C 20 0A 2 -9,-2.6 -9,-2.5 -2,-0.4 2,-0.5 -0.984 38.8-121.1-142.2 151.3 27.4 24.2 34.0 30 28 A N E -C 19 0A 15 -2,-0.3 88,-3.0 -11,-0.2 89,-0.9 -0.824 34.9-160.0 -92.1 130.4 24.6 25.6 36.1 31 29 A I E -Ce 18 119A 0 -13,-3.4 -13,-2.9 -2,-0.5 89,-0.3 -0.956 15.4-122.9-119.8 130.7 24.5 29.4 35.6 32 30 A L E -Ce 17 120A 15 87,-3.5 89,-3.4 -2,-0.4 2,-0.6 -0.527 22.1-133.0 -73.5 132.1 22.9 32.0 37.8 33 31 A V E + e 0 121A 2 -17,-2.6 2,-0.4 -2,-0.3 -17,-0.4 -0.790 32.5 175.0 -87.6 117.8 20.2 34.2 36.2 34 32 A D E > + e 0 122A 15 87,-2.3 89,-2.4 -2,-0.6 3,-0.9 -0.910 26.5 177.8-135.6 105.0 20.9 37.8 37.1 35 33 A T T 3 S+ 0 0 1 -2,-0.4 158,-0.3 1,-0.2 90,-0.1 0.500 82.9 71.4 -81.6 -1.7 18.9 40.8 35.6 36 34 A G T 3 S+ 0 0 11 156,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.297 101.7 36.2 -96.4 7.0 21.2 43.0 37.8 37 35 A S < - 0 0 29 -3,-0.9 87,-3.1 84,-0.1 92,-0.1 -0.888 61.6-144.1-149.0 175.7 24.4 42.6 35.8 38 36 A S + 0 0 2 90,-0.4 2,-0.3 -2,-0.3 100,-0.3 0.370 61.6 95.2-132.3 6.4 25.5 42.2 32.1 39 37 A N - 0 0 10 89,-0.2 83,-1.9 98,-0.1 2,-0.7 -0.775 59.9-140.1-101.7 150.4 28.5 39.8 31.9 40 38 A F E +F 121 0A 7 -2,-0.3 62,-3.1 81,-0.2 2,-0.4 -0.935 39.1 164.8-106.3 109.5 28.6 36.0 31.2 41 39 A A E +Fg 120 102A 0 79,-2.0 79,-2.9 -2,-0.7 2,-0.3 -0.976 13.5 179.4-131.7 143.9 31.2 34.6 33.6 42 40 A V E -Fg 119 103A 0 60,-2.3 62,-2.3 -2,-0.4 77,-0.3 -0.992 40.4 -93.4-145.0 150.1 32.0 31.1 34.7 43 41 A G E + g 0 104A 1 75,-3.2 11,-3.1 -2,-0.3 62,-0.1 -0.442 39.8 176.3 -61.2 132.4 34.4 29.3 36.9 44 42 A A + 0 0 11 60,-2.1 12,-0.2 9,-0.2 -1,-0.1 0.005 60.4 44.5-129.7 26.6 37.3 28.3 34.7 45 43 A A S S- 0 0 31 7,-0.1 9,-0.1 59,-0.1 7,-0.1 -0.965 99.5 -72.2-163.0 155.1 39.6 26.8 37.3 46 44 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.160 51.3 179.2 -55.3 146.3 39.3 24.5 40.4 47 45 A H > - 0 0 53 3,-0.4 3,-2.1 1,-0.1 5,-0.0 -0.977 38.8-126.0-153.4 138.1 37.6 26.0 43.4 48 46 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.818 115.7 41.1 -53.1 -32.9 36.6 24.6 46.9 49 47 A F T 3 S+ 0 0 84 64,-0.1 2,-0.5 -3,-0.1 65,-0.3 0.302 99.9 91.5 -98.5 5.5 33.0 25.7 46.3 50 48 A L < - 0 0 18 -3,-2.1 -3,-0.4 1,-0.1 3,-0.1 -0.914 50.3-170.2-108.5 127.4 32.8 24.5 42.7 51 49 A H S S- 0 0 149 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.646 79.4 -5.1 -81.7 -20.1 31.7 21.0 41.7 52 50 A R - 0 0 89 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.986 65.2-159.9-164.7 169.0 32.9 21.7 38.2 53 51 A Y - 0 0 77 -2,-0.3 2,-0.6 -9,-0.1 -9,-0.2 -0.965 34.1 -80.4-154.6 170.4 34.3 24.3 35.8 54 52 A Y - 0 0 3 -11,-3.1 2,-1.0 -2,-0.3 3,-0.1 -0.649 33.9-162.8 -77.0 114.4 34.9 25.5 32.2 55 53 A Q > - 0 0 65 -2,-0.6 3,-1.9 1,-0.2 4,-0.1 -0.796 6.5-175.2-102.6 89.0 37.9 23.8 30.7 56 54 A R G > S+ 0 0 39 -2,-1.0 3,-1.4 1,-0.3 6,-0.2 0.777 78.1 61.7 -53.6 -34.0 38.8 26.0 27.8 57 55 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.561 98.1 58.4 -75.0 -8.0 41.5 23.7 26.5 58 56 A L G < S+ 0 0 98 -3,-1.9 2,-0.5 -33,-0.0 -1,-0.3 0.341 91.5 88.0 -98.8 1.5 39.0 21.0 25.9 59 57 A S X - 0 0 11 -3,-1.4 3,-0.8 -4,-0.1 -36,-0.1 -0.918 53.6-168.9-112.5 121.6 37.0 23.1 23.6 60 58 A S T 3 S+ 0 0 90 -36,-2.4 -1,-0.1 -2,-0.5 -4,-0.0 0.718 92.8 53.7 -73.7 -22.9 37.6 23.3 19.8 61 59 A T T 3 S+ 0 0 28 -37,-0.3 2,-0.4 25,-0.1 -1,-0.2 0.451 82.7 116.8 -91.9 0.1 35.3 26.3 19.5 62 60 A Y < - 0 0 50 -3,-0.8 2,-0.4 -6,-0.2 23,-0.2 -0.564 42.4-174.4 -75.0 125.5 37.1 28.3 22.2 63 61 A R E -H 84 0A 159 21,-2.0 21,-2.7 -2,-0.4 2,-0.4 -0.976 18.8-135.1-124.2 126.7 38.7 31.5 21.0 64 62 A D E -H 83 0A 75 -2,-0.4 19,-0.3 19,-0.2 21,-0.0 -0.649 8.8-164.5 -82.6 128.3 40.9 33.7 23.3 65 63 A L E - 0 0 79 17,-2.0 18,-0.2 -2,-0.4 -1,-0.1 0.515 30.3-137.3 -88.7 -4.3 40.3 37.5 23.2 66 64 A R E + 0 0 220 16,-0.6 2,-0.3 1,-0.2 17,-0.1 0.715 66.1 114.8 53.7 26.0 43.6 38.0 24.9 67 65 A K E -H 82 0A 89 15,-0.5 15,-2.2 2,-0.0 2,-0.3 -0.789 55.5-139.2-119.3 162.4 42.0 40.6 27.1 68 66 A G E -H 81 0A 49 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.794 6.8-153.4-119.3 164.6 41.3 40.6 30.9 69 67 A V E -H 80 0A 10 11,-2.4 11,-2.1 -2,-0.3 2,-0.5 -1.000 2.9-165.2-141.5 138.1 38.5 41.7 33.1 70 68 A Y E -H 79 0A 117 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.971 6.6-180.0-126.3 116.9 38.3 42.9 36.8 71 69 A V E +H 78 0A 29 7,-3.0 7,-2.6 -2,-0.5 2,-0.4 -0.852 7.0 174.5-119.5 96.5 35.0 43.0 38.7 72 70 A P E +H 77 0A 59 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.821 5.6 176.6-102.5 143.5 35.3 44.2 42.3 73 71 A Y - 0 0 147 3,-2.2 3,-0.4 -2,-0.4 -2,-0.0 -0.720 48.2 -67.9-132.5-179.8 32.2 44.8 44.4 74 72 A T S S+ 0 0 122 1,-0.3 2,-0.7 -2,-0.2 -1,-0.1 0.892 124.7 12.2 -34.3 -76.9 31.4 45.8 48.0 75 73 A Q S S- 0 0 141 34,-0.1 -1,-0.3 -3,-0.1 2,-0.2 -0.890 131.4 -17.3-110.0 103.0 32.8 42.7 49.7 76 74 A G - 0 0 12 -2,-0.7 -3,-2.2 -3,-0.4 2,-0.3 -0.633 62.7-147.8 107.8-164.3 34.8 40.6 47.3 77 75 A K E -HI 72 108A 49 31,-2.5 31,-3.2 -5,-0.3 2,-0.3 -0.914 8.4-123.7 169.9 168.8 35.2 40.3 43.6 78 76 A W E -HI 71 107A 13 -7,-2.6 -7,-3.0 -2,-0.3 2,-0.3 -0.938 19.0-173.8-135.3 153.9 36.0 38.2 40.5 79 77 A E E +HI 70 106A 59 27,-2.6 26,-2.1 -2,-0.3 27,-2.1 -0.993 16.0 143.5-144.3 149.7 38.6 38.4 37.8 80 78 A G E -HI 69 104A 7 -11,-2.1 -11,-2.4 -2,-0.3 2,-0.4 -0.974 42.9 -80.8-170.5-176.6 39.2 36.5 34.6 81 79 A E E -HI 68 103A 85 22,-1.8 22,-3.6 -2,-0.3 2,-0.3 -0.821 39.1-133.0-105.3 135.9 40.2 36.1 31.0 82 80 A L E +HI 67 102A 2 -15,-2.2 -17,-2.0 -2,-0.4 -16,-0.6 -0.632 40.4 129.4 -92.1 148.4 37.9 37.0 28.1 83 81 A G E -HI 64 101A 2 18,-1.1 18,-2.8 -19,-0.3 2,-0.3 -0.909 43.8-108.9-169.9-173.2 37.2 34.9 25.0 84 82 A T E +HI 63 100A 18 -21,-2.7 -21,-2.0 -2,-0.3 2,-0.3 -0.834 33.1 157.9-130.1 168.5 34.3 33.5 23.0 85 83 A D E - I 0 99A 0 14,-1.2 14,-2.2 -2,-0.3 2,-0.2 -0.958 45.7 -74.3-178.0 169.0 32.7 30.1 22.5 86 84 A L E - I 0 98A 49 -2,-0.3 -63,-1.7 12,-0.2 2,-0.4 -0.503 48.1-169.1 -77.7 147.7 29.6 28.3 21.5 87 85 A V E -DI 22 97A 3 10,-1.3 10,-2.0 -65,-0.2 2,-0.3 -0.995 9.1-179.3-146.3 135.5 26.8 28.4 24.0 88 86 A S E -D 21 0A 28 -67,-2.3 -67,-2.4 -2,-0.4 8,-0.1 -0.916 23.9-144.4-132.9 160.8 23.5 26.6 24.4 89 87 A I > - 0 0 8 4,-0.5 3,-1.8 6,-0.5 -69,-0.2 -0.837 14.5-160.2-125.4 88.7 20.5 26.4 26.8 90 88 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.786 92.7 36.9 -37.9 -44.8 19.3 22.8 26.8 91 89 A H T 3 S+ 0 0 96 -72,-0.5 -84,-0.1 -84,-0.1 3,-0.1 -0.329 115.3 64.0-109.2 50.0 15.9 23.7 28.2 92 90 A G S < S- 0 0 1 -3,-1.8 77,-0.1 1,-0.1 -89,-0.0 -0.642 103.3 -26.1-144.2-160.8 15.6 26.9 26.3 93 91 A P - 0 0 19 0, 0.0 2,-2.9 0, 0.0 -4,-0.5 -0.324 66.8-111.0 -62.9 139.7 15.3 27.9 22.6 94 92 A N S S+ 0 0 156 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.347 77.8 114.5 -70.2 67.2 17.0 25.4 20.2 95 93 A V - 0 0 41 -2,-2.9 2,-0.5 -6,-0.1 -6,-0.5 -0.984 54.5-144.4-142.7 152.9 19.8 27.7 19.2 96 94 A T - 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