==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAR-06 2G94 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.HONG,A.GHOSH,J.TANG . 1556 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1053 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 441 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 5 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 . 183 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 12 3 1 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 8 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 . 12 12 8 12 12 16 2 2 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 8 0 0 0 0 0 0 0 0 4 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 56 0, 0.0 184,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -21.8 5.2 3.8 59.6 2 46PA S + 0 0 90 182,-0.2 2,-0.1 183,-0.1 182,-0.1 -0.841 360.0 154.7-149.7 107.5 6.9 0.5 60.0 3 47PA F >> + 0 0 55 -2,-0.3 3,-2.0 1,-0.1 4,-1.2 -0.562 7.0 165.6-130.1 65.5 5.7 -2.9 58.5 4 48PA V T 34 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.773 72.2 68.7 -53.0 -30.0 8.8 -4.9 58.1 5 1 A E T 34 S+ 0 0 116 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.832 109.5 33.1 -60.5 -32.8 6.7 -8.0 57.7 6 2 A M T X4 S+ 0 0 3 -3,-2.0 3,-1.4 174,-0.0 172,-0.6 0.584 88.1 113.6-102.0 -12.1 5.4 -6.7 54.3 7 3 A V T 3< S+ 0 0 34 -4,-1.2 170,-0.1 1,-0.3 -5,-0.0 -0.369 88.2 11.3 -61.7 137.7 8.5 -4.8 53.0 8 4 A D T 3 S+ 0 0 87 1,-0.1 -1,-0.3 149,-0.1 169,-0.2 0.776 84.0 135.1 65.1 30.8 10.0 -6.5 50.0 9 5 A N < + 0 0 17 -3,-1.4 12,-0.5 84,-0.1 2,-0.3 0.378 48.2 85.4 -90.0 6.0 7.0 -8.8 49.5 10 6 A L E -AB 20 176A 0 166,-2.6 165,-3.0 10,-0.1 166,-1.1 -0.797 51.4-175.8-109.8 152.4 6.7 -8.3 45.7 11 7 A R E +A 19 0A 76 8,-2.2 8,-2.9 -2,-0.3 2,-0.2 -0.890 40.0 57.9-134.2 165.8 8.5 -9.9 42.8 12 8 A G E -A 18 0A 6 158,-0.6 2,-0.3 -2,-0.3 6,-0.3 -0.710 58.9-121.6 113.7-165.2 8.5 -9.3 39.1 13 9 A K E > -A 17 0A 54 4,-1.1 4,-2.9 -2,-0.2 3,-0.5 -0.967 38.8 -62.3-169.5 171.8 9.3 -6.4 36.8 14 10 A S T 4 S+ 0 0 17 -2,-0.3 2,-1.2 1,-0.2 222,-0.1 -0.246 116.3 33.8 -64.0 160.4 7.8 -4.1 34.2 15 11 A G T 4 S+ 0 0 34 1,-0.2 -1,-0.2 -3,-0.0 221,-0.1 -0.368 129.0 37.5 89.7 -55.6 6.8 -5.8 31.0 16 12 A Q T 4 S- 0 0 41 -2,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.733 113.8-108.6 -99.8 -30.3 5.7 -9.0 32.8 17 13 A G E < -A 13 0A 13 -4,-2.9 -4,-1.1 17,-0.0 2,-0.5 -0.188 16.0 -93.4 117.7 152.3 4.2 -7.7 36.0 18 14 A Y E -A 12 0A 3 215,-0.4 17,-2.8 17,-0.3 2,-0.3 -0.890 46.3-176.4-103.5 129.6 4.7 -7.2 39.7 19 15 A Y E -AC 11 34A 4 -8,-2.9 -8,-2.2 -2,-0.5 2,-0.3 -0.884 19.8-152.2-132.2 158.5 3.1 -9.9 41.9 20 16 A V E -AC 10 33A 1 13,-2.5 13,-3.0 -2,-0.3 2,-0.3 -0.899 30.8-108.3-122.9 151.4 2.5 -10.9 45.5 21 17 A E E + C 0 32A 60 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.655 43.0 167.6 -84.3 136.2 2.1 -14.4 47.0 22 18 A M E - C 0 31A 0 9,-2.7 9,-2.7 -2,-0.3 2,-0.4 -0.898 24.8-140.6-137.8 164.3 -1.4 -15.4 48.2 23 19 A T E -DC 90 30A 17 67,-2.3 67,-2.0 -2,-0.3 2,-0.4 -0.966 16.0-169.0-127.1 147.3 -3.1 -18.6 49.2 24 20 A V E > +DC 89 29A 0 5,-1.9 5,-2.0 -2,-0.4 65,-0.2 -0.994 45.3 7.7-136.2 142.7 -6.7 -19.6 48.4 25 21 A G T 5S- 0 0 4 63,-2.4 4,-0.1 -2,-0.4 36,-0.1 -0.083 89.9 -47.0 84.5 176.3 -8.9 -22.4 49.6 26 22 A S T 5S+ 0 0 27 2,-0.2 36,-2.6 1,-0.1 37,-0.3 -0.984 129.7 32.2-137.2 118.2 -8.6 -24.9 52.4 27 23 A P T 5S- 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.597 121.3-100.4 -64.4 158.1 -6.0 -26.4 52.6 28 24 A P T 5 - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.271 32.8-155.9 -56.9 129.6 -4.2 -23.3 51.3 29 25 A Q E < -C 24 0A 28 -5,-2.0 -5,-1.9 -4,-0.1 2,-0.3 -0.944 18.1-133.6-107.1 118.9 -3.3 -23.4 47.6 30 26 A T E +C 23 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.584 33.0 165.2 -79.7 133.1 -0.3 -21.1 46.9 31 27 A L E -C 22 0A 2 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.5 -0.994 35.8-125.2-145.9 146.5 -0.6 -18.8 43.9 32 28 A N E -C 21 0A 2 -2,-0.3 88,-3.2 -11,-0.2 89,-1.1 -0.831 31.1-158.8 -94.3 127.4 1.3 -15.7 42.7 33 29 A I E -Ce 20 121A 0 -13,-3.0 -13,-2.5 -2,-0.5 89,-0.3 -0.937 13.8-127.5-118.1 123.7 -1.1 -12.8 42.0 34 30 A L E -Ce 19 122A 15 87,-2.9 89,-3.0 -2,-0.5 2,-0.7 -0.410 23.6-128.1 -65.3 134.4 -0.4 -9.8 39.8 35 31 A V E + e 0 123A 0 -17,-2.8 2,-0.5 87,-0.2 -17,-0.3 -0.772 34.4 176.3 -88.2 114.8 -1.0 -6.5 41.5 36 32 A D E > + e 0 124A 7 87,-2.1 89,-2.2 -2,-0.7 3,-1.1 -0.861 23.2 174.0-127.7 100.0 -3.4 -4.4 39.3 37 33 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.4 1,-0.2 194,-0.2 0.564 78.5 72.3 -78.0 -3.0 -4.7 -1.0 40.4 38 34 A G T 3 S+ 0 0 13 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.386 101.4 35.0 -92.3 3.9 -6.3 -0.7 37.0 39 35 A S < - 0 0 10 -3,-1.1 87,-3.0 84,-0.2 92,-0.1 -0.898 62.6-141.3-145.5 176.8 -9.1 -3.2 37.6 40 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.276 63.0 99.4-130.9 13.7 -11.4 -4.5 40.3 41 37 A N - 0 0 4 89,-0.1 83,-1.2 98,-0.1 2,-0.6 -0.861 57.0-145.7-106.6 136.5 -11.8 -8.3 39.9 42 38 A F E +F 123 0A 8 -2,-0.4 62,-2.1 81,-0.2 2,-0.3 -0.878 37.3 163.7 -94.9 122.2 -9.9 -10.9 41.8 43 39 A A E -Fg 122 104A 0 79,-2.4 79,-2.9 -2,-0.6 2,-0.3 -0.993 20.7-170.4-144.5 151.2 -9.3 -13.8 39.4 44 40 A V E -Fg 121 105A 0 60,-2.5 62,-2.8 -2,-0.3 77,-0.3 -0.997 35.7-101.0-143.5 143.7 -7.1 -16.9 39.1 45 41 A G E + g 0 106A 1 75,-3.1 11,-3.0 -2,-0.3 62,-0.1 -0.419 37.0 179.5 -59.7 136.5 -6.3 -19.5 36.5 46 42 A A + 0 0 11 60,-2.2 12,-0.2 9,-0.2 -1,-0.1 0.048 59.0 42.9-130.6 24.4 -8.4 -22.6 37.4 47 43 A A S S- 0 0 35 59,-0.1 -1,-0.2 7,-0.1 9,-0.1 -0.947 99.3 -70.9-166.0 146.3 -7.4 -25.0 34.6 48 44 A P + 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.001 51.3 172.8 -44.0 142.4 -4.2 -26.0 32.8 49 45 A H > - 0 0 52 3,-0.4 3,-2.0 -4,-0.1 5,-0.0 -0.969 42.7-116.4-153.2 140.8 -2.7 -23.4 30.5 50 46 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.797 116.3 44.2 -49.7 -33.1 0.7 -23.5 28.7 51 47 A F T 3 S+ 0 0 81 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.472 97.0 90.5 -94.4 -1.0 1.9 -20.4 30.7 52 48 A L < - 0 0 19 -3,-2.0 -3,-0.4 1,-0.1 3,-0.1 -0.849 47.8-172.9-103.6 127.3 0.7 -21.6 34.1 53 49 A H S S- 0 0 150 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.625 80.9 -2.2 -85.3 -16.2 2.9 -23.7 36.4 54 50 A R - 0 0 88 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.970 66.9-168.8-163.2 169.1 -0.1 -24.1 38.8 55 51 A Y - 0 0 75 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.974 36.9 -71.5-161.2 168.5 -3.7 -23.1 39.2 56 52 A Y - 0 0 4 -11,-3.0 2,-0.7 -2,-0.3 -31,-0.1 -0.521 35.4-162.9 -71.0 122.4 -6.7 -23.0 41.5 57 53 A Q > - 0 0 86 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.814 7.5-177.4-111.3 91.6 -8.3 -26.4 42.1 58 54 A R G > S+ 0 0 46 -2,-0.7 3,-1.8 1,-0.3 6,-0.3 0.830 78.7 63.5 -56.1 -37.9 -11.8 -25.7 43.5 59 55 A Q G 3 S+ 0 0 196 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.649 102.0 52.9 -63.2 -17.1 -12.6 -29.4 44.0 60 56 A L G < S+ 0 0 102 -3,-1.8 2,-0.6 -33,-0.0 -1,-0.3 0.369 90.8 88.4-100.0 2.7 -9.8 -29.6 46.5 61 57 A S X - 0 0 11 -3,-1.8 3,-1.0 -4,-0.2 -36,-0.1 -0.908 57.1-163.3-107.3 118.9 -10.9 -26.7 48.7 62 58 A S T 3 S+ 0 0 106 -36,-2.6 -1,-0.1 -2,-0.6 -4,-0.0 0.655 92.7 52.1 -71.2 -15.5 -13.4 -27.5 51.5 63 59 A T T 3 S+ 0 0 29 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.384 78.1 125.2-102.8 2.8 -14.3 -23.8 51.7 64 60 A Y < - 0 0 55 -3,-1.0 2,-0.5 -6,-0.3 23,-0.2 -0.412 41.2-164.5 -66.0 133.2 -15.1 -23.2 48.0 65 61 A R E -H 86 0A 148 21,-2.5 21,-2.3 -2,-0.1 2,-0.6 -0.989 11.5-142.3-123.2 122.7 -18.6 -21.7 47.4 66 62 A D E -H 85 0A 79 -2,-0.5 19,-0.2 19,-0.2 18,-0.1 -0.747 11.9-170.6 -88.4 116.7 -20.0 -21.8 43.8 67 63 A L E - 0 0 82 17,-1.7 18,-0.2 -2,-0.6 -1,-0.1 0.498 31.8-135.6 -83.6 -3.3 -22.0 -18.7 42.9 68 64 A R E + 0 0 215 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.885 65.1 114.0 51.0 48.3 -23.2 -20.4 39.7 69 65 A K E -H 84 0A 97 15,-0.5 15,-2.9 2,-0.0 -2,-0.2 -0.975 57.4-137.4-151.0 131.3 -22.6 -17.3 37.6 70 66 A G E -H 83 0A 49 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.403 17.1-162.9 -85.4 164.7 -20.1 -16.6 34.8 71 67 A V E -H 82 0A 10 11,-2.1 11,-2.6 -2,-0.1 2,-0.4 -0.996 7.7-159.1-149.4 145.2 -18.1 -13.5 34.3 72 68 A Y E -H 81 0A 97 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.989 8.5-173.7-126.5 133.2 -16.2 -11.9 31.4 73 69 A V E -H 80 0A 7 7,-2.6 7,-1.9 -2,-0.4 2,-0.3 -0.955 2.0-170.6-134.9 116.8 -13.4 -9.3 31.8 74 70 A P E -H 79 0A 43 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.812 7.2-168.3-102.4 143.4 -11.7 -7.5 29.0 75 71 A Y - 0 0 50 3,-2.8 3,-0.3 -2,-0.3 -36,-0.0 -0.731 46.2 -89.3-122.2 173.3 -8.6 -5.3 29.5 76 72 A T S S+ 0 0 104 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.910 125.0 9.8 -50.4 -39.7 -6.8 -2.8 27.3 77 73 A Q S S+ 0 0 163 35,-0.0 -1,-0.3 34,-0.0 2,-0.1 -0.947 126.4 19.2-141.2 119.4 -4.9 -5.9 26.1 78 74 A G - 0 0 12 -2,-0.4 -3,-2.8 -3,-0.3 2,-0.3 -0.188 57.1-163.3 106.9 158.1 -6.0 -9.4 27.1 79 75 A K E -HI 74 110A 85 31,-1.5 31,-2.7 -5,-0.2 2,-0.3 -0.970 3.3-167.2-170.1 161.5 -9.2 -10.8 28.4 80 76 A W E -HI 73 109A 2 -7,-1.9 -7,-2.6 -2,-0.3 2,-0.4 -0.986 13.2-142.8-156.3 160.3 -10.6 -13.9 30.2 81 77 A E E +HI 72 108A 103 27,-2.6 26,-2.1 -2,-0.3 27,-1.8 -0.956 32.2 156.4-123.8 144.9 -13.9 -15.7 31.0 82 78 A G E -HI 71 106A 4 -11,-2.6 -11,-2.1 -2,-0.4 2,-0.5 -0.897 40.4 -95.4-155.7-175.1 -14.4 -17.5 34.3 83 79 A E E -HI 70 105A 84 22,-2.0 22,-2.9 -2,-0.3 -13,-0.2 -0.957 37.7-128.7-117.6 127.0 -16.8 -18.9 36.9 84 80 A L E +HI 69 104A 1 -15,-2.9 -17,-1.7 -2,-0.5 -15,-0.5 -0.475 44.4 128.4 -79.0 144.0 -17.7 -16.9 40.0 85 81 A G E -HI 66 103A 2 18,-1.4 18,-2.9 -19,-0.2 2,-0.3 -0.912 43.4-113.0-169.5-174.5 -17.4 -18.2 43.5 86 82 A T E +HI 65 102A 18 -21,-2.3 -21,-2.5 -2,-0.3 2,-0.3 -0.944 30.8 158.7-136.0 159.7 -15.9 -17.4 46.9 87 83 A D E - I 0 101A 0 14,-1.5 14,-2.4 -2,-0.3 2,-0.3 -0.970 46.4 -77.5-166.9 170.0 -13.3 -18.9 49.1 88 84 A L E - I 0 100A 50 -2,-0.3 -63,-2.4 12,-0.2 2,-0.4 -0.616 47.0-169.2 -80.8 140.2 -10.9 -18.0 52.0 89 85 A V E +DI 24 99A 1 10,-2.5 10,-2.4 -2,-0.3 2,-0.3 -0.985 8.6 178.8-133.7 141.4 -7.8 -16.0 51.0 90 86 A S E -D 23 0A 31 -67,-2.0 -67,-2.3 -2,-0.4 8,-0.1 -0.918 22.9-140.1-137.1 162.7 -4.7 -15.1 52.9 91 87 A I > - 0 0 11 4,-0.5 3,-1.6 6,-0.5 6,-0.2 -0.918 10.3-156.8-128.7 101.9 -1.5 -13.2 52.1 92 88 A P T 3 S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.845 96.0 34.5 -44.2 -49.2 1.7 -14.9 53.6 93 89 A H T 3 S+ 0 0 103 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.395 114.8 70.8-107.0 53.2 3.7 -11.7 53.6 94 90 A G S < S- 0 0 7 -3,-1.6 85,-0.1 -2,-0.3 -72,-0.0 -0.650 101.3 -34.6-142.9-162.3 0.8 -9.4 54.4 95 91 A P - 0 0 16 0, 0.0 2,-2.0 0, 0.0 -4,-0.5 -0.288 66.7-106.5 -63.6 154.1 -1.4 -8.8 57.4 96 92 A N S S+ 0 0 166 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.540 80.7 109.5 -82.1 77.6 -2.1 -11.9 59.5 97 93 A V - 0 0 41 -2,-2.0 -6,-0.5 -6,-0.2 2,-0.4 -0.906 56.7-142.1-144.3 171.4 -5.7 -12.4 58.4 98 94 A T - 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