==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-07 2OHR . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.PATEL . 377 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 29.7 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 . 4 1.1 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 . 49 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.6 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 2 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 . 1 4 3 4 2 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 87 0, 0.0 4,-1.4 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0 -3.6 64.4 61.5 -14.8 2 0 A V T 34 + 0 0 127 1,-0.3 171,-0.0 2,-0.2 0, 0.0 0.764 360.0 60.1 -62.8 -28.0 67.6 61.1 -16.9 3 1 A E T 34 S+ 0 0 98 1,-0.2 -1,-0.3 89,-0.0 0, 0.0 0.749 108.6 44.5 -64.4 -27.3 69.3 63.1 -14.1 4 2 A M T X4 S+ 0 0 6 -3,-1.3 3,-1.4 162,-0.0 163,-0.6 0.679 84.2 110.3 -94.9 -20.1 68.2 60.4 -11.6 5 3 A V T 3< S+ 0 0 56 -4,-1.4 161,-0.1 1,-0.3 -3,-0.0 -0.262 89.6 10.1 -57.6 136.1 69.2 57.3 -13.7 6 4 A D T 3 S+ 0 0 86 149,-0.1 -1,-0.3 1,-0.1 160,-0.2 0.770 84.7 135.7 67.2 27.4 72.2 55.4 -12.1 7 5 A N < + 0 0 19 -3,-1.4 12,-0.6 84,-0.1 2,-0.4 0.390 49.4 79.6 -89.5 4.3 72.1 57.5 -8.9 8 6 A L E +AB 18 165A 0 157,-2.3 157,-1.4 10,-0.1 2,-0.3 -0.910 53.0 174.6-112.1 146.1 72.6 54.5 -6.6 9 7 A R E +AB 17 164A 95 8,-2.0 8,-3.1 -2,-0.4 2,-0.3 -0.857 8.5 142.9-135.0 169.6 75.8 52.7 -5.7 10 8 A G E -AB 16 163A 2 153,-1.4 153,-2.3 -2,-0.3 2,-0.3 -0.980 41.1-100.0-178.9-176.5 76.8 50.0 -3.4 11 9 A K E > - B 0 162A 99 4,-0.7 3,-2.7 -2,-0.3 4,-0.3 -0.953 58.4 -78.0-122.8 147.5 79.0 46.9 -2.7 12 10 A S T 3 S+ 0 0 53 149,-3.1 150,-0.0 -2,-0.3 146,-0.0 -0.185 117.5 1.3 -45.5 122.0 77.7 43.4 -3.0 13 11 A G T 3 S+ 0 0 43 1,-0.1 -1,-0.3 212,-0.0 212,-0.1 0.340 111.9 89.6 80.3 -4.9 75.7 42.7 0.2 14 12 A Q S < S- 0 0 44 -3,-2.7 -2,-0.1 1,-0.3 102,-0.1 0.204 90.7-112.5-108.9 13.4 76.1 46.1 1.8 15 13 A G - 0 0 19 -4,-0.3 -4,-0.7 17,-0.1 2,-0.4 -0.102 30.1 -73.2 86.7 171.0 73.0 47.8 0.3 16 14 A Y E -A 10 0A 10 17,-0.4 17,-3.2 206,-0.3 2,-0.3 -0.916 46.5-168.4-106.1 135.6 72.3 50.6 -2.2 17 15 A Y E -AC 9 32A 31 -8,-3.1 -8,-2.0 -2,-0.4 2,-0.3 -0.903 10.6-152.2-127.7 157.8 73.0 54.2 -1.2 18 16 A V E -AC 8 31A 2 13,-2.5 13,-2.8 -2,-0.3 2,-0.3 -0.921 27.0-110.3-123.3 148.2 72.1 57.6 -2.7 19 17 A E E + C 0 30A 68 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.593 41.0 172.9 -79.9 138.5 74.0 60.8 -2.3 20 18 A M E - C 0 29A 0 9,-3.0 9,-2.9 -2,-0.3 2,-0.4 -0.914 22.9-139.9-137.7 164.3 72.4 63.5 -0.3 21 19 A T E -DC 88 28A 22 67,-2.8 67,-2.4 -2,-0.3 2,-0.3 -0.990 18.0-174.1-129.2 139.7 73.3 66.9 1.1 22 20 A V E > +DC 87 27A 0 5,-1.7 5,-3.3 -2,-0.4 65,-0.2 -0.980 42.4 8.4-133.2 143.1 72.4 68.2 4.5 23 21 A G T 5S- 0 0 9 63,-2.3 36,-0.1 -2,-0.3 4,-0.1 -0.083 88.1 -49.4 87.7 177.0 72.9 71.6 6.2 24 22 A S T 5S+ 0 0 28 1,-0.2 36,-2.8 2,-0.1 37,-0.3 -0.972 131.1 31.1-134.1 116.6 74.0 75.0 5.1 25 23 A P T 5S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.614 122.1-101.4 -68.8 157.6 76.6 75.1 3.5 26 24 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.225 29.7-153.7 -62.0 130.1 75.7 71.6 2.1 27 25 A Q E < -C 22 0A 33 -5,-3.3 -5,-1.7 -4,-0.1 2,-0.4 -0.915 17.1-136.8-101.3 119.4 77.4 68.5 3.7 28 26 A T E +C 21 0A 68 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.611 31.5 168.1 -80.1 127.3 77.6 65.6 1.2 29 27 A L E -C 20 0A 3 -9,-2.9 -9,-3.0 -2,-0.4 2,-0.5 -0.981 34.7-128.1-136.7 152.6 76.7 62.2 2.5 30 28 A N E -C 19 0A 16 -2,-0.3 88,-3.0 -11,-0.2 89,-0.8 -0.901 31.1-167.1-100.0 127.5 76.0 58.7 1.2 31 29 A I E -Ce 18 119A 0 -13,-2.8 -13,-2.5 -2,-0.5 89,-0.2 -0.961 20.8-122.1-127.7 118.7 72.8 57.3 2.6 32 30 A L E -Ce 17 120A 17 87,-2.4 89,-2.9 -2,-0.5 2,-0.7 -0.298 25.8-128.9 -52.8 133.5 71.5 53.8 2.4 33 31 A V E + e 0 121A 3 -17,-3.2 2,-0.5 87,-0.2 -17,-0.4 -0.818 34.6 177.5 -93.9 114.1 68.1 53.5 0.7 34 32 A D E > + e 0 122A 17 87,-2.5 89,-2.5 -2,-0.7 3,-1.0 -0.889 27.0 175.5-129.1 102.5 65.8 51.5 3.1 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.5 1,-0.2 185,-0.2 0.478 81.7 70.7 -79.3 -1.9 62.2 50.8 2.4 36 34 A G T 3 S+ 0 0 14 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.331 102.1 38.1 -93.9 4.6 62.1 48.6 5.6 37 35 A S < - 0 0 24 -3,-1.0 87,-2.7 84,-0.1 86,-0.3 -0.936 61.8-146.1-149.7 171.5 62.4 51.6 8.0 38 36 A S + 0 0 1 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.245 62.5 94.6-132.4 10.3 61.1 55.2 8.4 39 37 A N - 0 0 13 89,-0.1 83,-1.5 98,-0.1 2,-0.7 -0.851 60.0-142.9-104.8 144.5 63.8 57.3 10.1 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.4 81,-0.2 2,-0.4 -0.953 37.4 167.6-100.0 110.2 66.4 59.5 8.3 41 39 A A E -Fg 120 102A 0 79,-2.2 79,-3.0 -2,-0.7 2,-0.4 -0.999 13.7-173.5-136.8 127.5 69.4 59.0 10.5 42 40 A V E -Fg 119 103A 0 60,-2.5 62,-2.7 -2,-0.4 77,-0.3 -0.955 36.2 -99.3-126.9 138.5 73.1 59.9 9.8 43 41 A G E + g 0 104A 1 75,-3.5 11,-3.2 -2,-0.4 62,-0.2 -0.362 38.1 177.0 -51.3 130.4 76.4 59.3 11.6 44 42 A A + 0 0 13 60,-2.7 12,-0.2 9,-0.3 -1,-0.1 0.036 60.2 53.8-127.3 19.7 77.1 62.6 13.5 45 43 A A S S- 0 0 31 59,-0.2 2,-2.5 7,-0.1 9,-0.1 -0.974 96.1 -93.5-156.9 150.9 80.3 61.4 15.2 46 44 A P + 0 0 90 0, 0.0 7,-0.1 0, 0.0 59,-0.1 -0.276 46.5 173.5 -76.7 58.6 83.7 59.9 14.0 47 45 A H > - 0 0 57 -2,-2.5 3,-2.0 1,-0.1 -2,-0.0 -0.387 41.9-120.0 -55.0 134.7 83.0 56.2 14.3 48 46 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.724 109.5 61.1 -60.7 -21.1 86.1 54.6 12.7 49 47 A F T 3 S+ 0 0 72 64,-0.1 65,-0.3 69,-0.0 2,-0.3 0.645 88.9 97.4 -75.0 -12.0 84.0 52.7 10.0 50 48 A L < - 0 0 23 -3,-2.0 3,-0.1 1,-0.1 68,-0.1 -0.549 51.3-169.6 -90.9 135.1 82.8 56.1 8.6 51 49 A H S S+ 0 0 112 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.779 82.9 3.8 -79.9 -29.7 84.2 58.0 5.6 52 50 A R - 0 0 79 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.3 -0.937 66.5-168.0-150.1 157.7 82.1 61.1 6.4 53 51 A Y - 0 0 78 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.3 -0.981 32.5 -94.6-153.9 157.4 79.7 62.2 9.1 54 52 A Y - 0 0 1 -11,-3.2 2,-0.7 -2,-0.3 -31,-0.1 -0.581 27.3-161.1 -71.0 126.5 77.2 65.0 9.7 55 53 A Q > - 0 0 91 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 -0.849 8.0-176.1-112.2 89.9 78.5 68.0 11.7 56 54 A R G > S+ 0 0 66 -2,-0.7 3,-1.8 1,-0.3 6,-0.3 0.812 77.1 60.3 -56.9 -40.5 75.4 69.7 12.9 57 55 A Q G 3 S+ 0 0 175 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.659 98.9 58.7 -69.0 -16.7 77.2 72.7 14.5 58 56 A L G < S+ 0 0 109 -3,-1.5 2,-0.6 -33,-0.0 -1,-0.3 0.479 89.3 89.2 -84.7 -1.9 78.7 73.7 11.2 59 57 A S X - 0 0 9 -3,-1.8 3,-1.1 -4,-0.2 -36,-0.1 -0.854 60.6-160.3-105.7 120.0 75.2 74.1 9.6 60 58 A S T 3 S+ 0 0 105 -36,-2.8 -1,-0.1 -2,-0.6 -3,-0.0 0.716 94.5 50.4 -67.9 -18.1 73.5 77.5 9.9 61 59 A T T 3 S+ 0 0 29 -37,-0.3 -1,-0.2 25,-0.1 23,-0.1 0.520 79.6 119.6-100.5 -5.2 70.1 75.9 9.3 62 60 A Y < - 0 0 31 -3,-1.1 2,-0.4 -6,-0.3 23,-0.2 -0.342 42.7-166.5 -60.4 136.8 70.3 73.0 11.9 63 61 A R E -H 84 0A 147 21,-2.6 21,-2.1 -2,-0.0 2,-0.4 -0.981 14.0-139.0-128.5 122.5 67.6 73.1 14.5 64 62 A D E -H 83 0A 78 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.628 6.1-161.6 -81.4 128.6 67.9 71.0 17.6 65 63 A L E - 0 0 83 17,-2.3 18,-0.2 -2,-0.4 -1,-0.1 0.439 33.6-130.3 -87.0 -0.4 64.5 69.4 18.6 66 64 A R E S+ 0 0 228 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.876 70.9 114.8 53.5 43.2 66.0 68.9 22.1 67 65 A K E -H 82 0A 91 15,-0.6 15,-3.5 2,-0.0 -2,-0.2 -0.996 55.0-144.3-146.6 132.6 64.9 65.2 21.9 68 66 A G E -H 81 0A 45 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.516 8.5-153.2 -92.5 164.2 66.8 62.0 21.8 69 67 A V E -H 80 0A 10 11,-2.1 11,-2.1 -2,-0.2 2,-0.4 -0.986 6.4-168.3-135.9 147.2 66.1 58.7 20.0 70 68 A Y E -H 79 0A 134 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.978 3.6-175.1-137.3 116.8 67.0 55.1 20.7 71 69 A V E -H 78 0A 13 7,-3.1 7,-1.8 -2,-0.4 2,-0.2 -0.934 12.3-165.7-115.9 102.7 66.5 52.4 18.0 72 70 A P E -H 77 0A 76 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.610 6.1-170.4 -86.7 147.8 67.3 48.9 19.3 73 71 A Y - 0 0 106 3,-1.9 37,-0.0 -2,-0.2 5,-0.0 -0.711 49.2 -82.5-117.9 179.1 67.8 45.8 17.2 74 72 A T S S- 0 0 156 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.858 123.9 -4.7 -51.3 -42.8 68.1 42.2 18.3 75 73 A Q S S+ 0 0 154 34,-0.1 -1,-0.2 33,-0.1 34,-0.0 0.645 131.5 45.0-117.7 -36.8 71.9 42.8 19.1 76 74 A G - 0 0 9 33,-0.2 -3,-1.9 -4,-0.0 2,-0.3 0.048 55.8-177.9 -92.7-160.7 72.7 46.3 17.9 77 75 A K E -HI 72 108A 18 31,-2.4 31,-2.7 -5,-0.3 2,-0.3 -0.915 17.2-142.3-177.4 167.8 71.3 49.8 18.2 78 76 A W E -HI 71 107A 5 -7,-1.8 -7,-3.1 -2,-0.3 2,-0.3 -0.966 18.9-177.6-134.3 153.2 71.7 53.4 17.2 79 77 A E E +HI 70 106A 52 27,-2.4 26,-1.9 -2,-0.3 27,-1.8 -0.981 15.6 131.0-143.9 155.1 71.0 56.4 19.3 80 78 A G E -HI 69 104A 9 -11,-2.1 -11,-2.1 -2,-0.3 2,-0.5 -0.945 48.0 -63.2-175.9-166.9 71.2 60.1 18.7 81 79 A E E -HI 68 103A 43 22,-2.1 22,-2.7 -2,-0.3 -13,-0.2 -0.924 40.4-130.2-115.4 129.8 69.7 63.6 18.8 82 80 A L E +HI 67 102A 1 -15,-3.5 -17,-2.3 -2,-0.5 -15,-0.6 -0.533 42.2 136.9 -76.9 139.7 66.7 64.7 16.9 83 81 A G E -HI 64 101A 1 18,-1.6 18,-2.6 -19,-0.3 2,-0.3 -0.912 42.1-117.5-156.7-178.5 66.8 67.9 14.8 84 82 A T E +HI 63 100A 17 -21,-2.1 -21,-2.6 -2,-0.3 2,-0.3 -0.955 33.1 158.6-126.2 153.5 65.7 69.3 11.5 85 83 A D E - I 0 99A 0 14,-1.8 14,-2.2 -2,-0.3 2,-0.3 -0.956 46.6 -77.6-157.9 172.6 67.9 70.7 8.7 86 84 A L E - I 0 98A 56 -2,-0.3 -63,-2.3 12,-0.2 2,-0.4 -0.664 48.7-170.0 -81.5 137.6 67.8 71.5 5.0 87 85 A V E +DI 22 97A 2 10,-3.1 10,-2.2 -2,-0.3 2,-0.3 -0.986 11.8 172.6-135.0 135.1 68.2 68.4 2.8 88 86 A S E -D 21 0A 26 -67,-2.4 -67,-2.8 -2,-0.4 8,-0.1 -0.919 26.5-139.2-133.9 160.5 68.7 67.9 -0.9 89 87 A I > - 0 0 8 4,-0.5 3,-1.8 6,-0.5 6,-0.2 -0.958 13.9-155.0-117.7 105.5 69.4 65.0 -3.2 90 88 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.862 95.4 36.4 -50.2 -45.4 71.9 66.1 -5.9 91 89 A H T 3 S+ 0 0 100 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.334 114.7 66.9-105.4 46.6 70.8 63.4 -8.4 92 90 A G S < S- 0 0 7 -3,-1.8 76,-0.1 1,-0.3 78,-0.0 -0.561 102.7 -28.9-132.5-153.2 67.1 63.6 -7.5 93 91 A P - 0 0 21 0, 0.0 2,-1.7 0, 0.0 -4,-0.5 -0.202 64.5-107.1 -65.4 161.7 64.6 66.4 -7.9 94 92 A N S S+ 0 0 169 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.501 82.2 102.8 -88.7 66.5 65.7 70.1 -7.9 95 93 A V - 0 0 44 -2,-1.7 -6,-0.5 -6,-0.2 2,-0.4 -0.936 56.2-145.8-145.8 168.2 64.4 70.9 -4.5 96 94 A T - 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