==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-NOV-09 3KN0 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.STRICKLAND,Y.WANG . 776 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 28.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 2 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 . 88 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 8 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 . 4 8 4 6 6 8 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 4 0 0 0 0 0 0 0 0 2 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 58 A G 0 0 61 0, 0.0 3,-0.3 0, 0.0 181,-0.1 0.000 360.0 360.0 360.0 107.9 36.7 -15.4 29.5 2 59 A S + 0 0 98 179,-0.3 3,-0.1 1,-0.2 180,-0.1 0.351 360.0 58.4 -99.5 4.9 33.8 -17.4 28.2 3 60 A F >> + 0 0 62 1,-0.1 3,-1.9 2,-0.0 4,-1.2 -0.330 55.3 152.8-129.8 54.7 32.7 -15.2 25.4 4 61 A V T 34 + 0 0 115 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.751 67.9 64.8 -55.9 -26.2 35.7 -15.0 23.2 5 62 A E T 34 S+ 0 0 101 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.755 110.5 36.8 -73.4 -18.6 33.6 -14.4 20.0 6 63 A M T X4 S+ 0 0 13 -3,-1.9 3,-1.4 169,-0.0 170,-0.7 0.597 89.3 110.2-106.9 -13.3 32.4 -11.1 21.4 7 64 A V T 3< S+ 0 0 34 -4,-1.2 168,-0.1 1,-0.3 -3,-0.0 -0.388 89.0 10.4 -63.3 135.5 35.6 -9.9 23.2 8 65 A D T 3 S+ 0 0 86 147,-0.1 -1,-0.3 1,-0.1 167,-0.2 0.749 85.1 132.8 68.2 25.5 37.2 -6.9 21.4 9 66 A N < + 0 0 18 -3,-1.4 12,-0.5 82,-0.1 2,-0.3 0.439 49.6 84.6 -87.1 2.4 34.2 -6.3 19.1 10 67 A L E -AB 20 174A 1 164,-2.5 163,-2.9 10,-0.1 164,-0.8 -0.738 51.1-177.5-107.0 153.2 34.0 -2.6 19.7 11 68 A R E +A 19 0A 73 8,-1.7 8,-2.9 162,-0.3 2,-0.3 -0.941 37.4 61.8-138.4 158.6 35.9 0.4 18.2 12 69 A G E -A 18 0A 7 156,-0.5 2,-0.3 -2,-0.3 6,-0.2 -0.825 61.4-101.0 127.7-164.1 35.9 4.1 18.8 13 70 A K E >> -A 17 0A 67 4,-1.2 4,-2.6 -2,-0.3 3,-0.8 -0.968 35.3 -93.7-158.4 164.9 36.7 6.6 21.6 14 71 A S T 34 S+ 0 0 9 -2,-0.3 323,-0.2 1,-0.2 324,-0.1 0.827 116.9 56.3 -56.1 -35.1 34.9 8.7 24.3 15 72 A G T 34 S+ 0 0 25 1,-0.2 -1,-0.2 2,-0.1 219,-0.1 0.808 124.8 17.5 -70.9 -29.7 34.7 11.8 22.1 16 73 A Q T <4 S- 0 0 50 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.483 113.6-104.1-119.8 -6.6 32.8 10.3 19.2 17 74 A G E < -A 13 0A 9 -4,-2.6 -4,-1.2 17,-0.1 2,-0.4 -0.110 26.1 -86.9 103.0 159.1 31.4 7.1 20.7 18 75 A Y E -A 12 0A 3 213,-0.4 17,-2.9 17,-0.3 2,-0.3 -0.898 44.0-168.5-106.8 133.1 32.0 3.3 20.6 19 76 A Y E -AC 11 34A 3 -8,-2.9 -8,-1.7 -2,-0.4 2,-0.3 -0.875 14.5-153.2-127.0 156.4 30.4 1.2 17.9 20 77 A V E -AC 10 33A 1 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.896 30.8-108.0-121.5 149.4 29.8 -2.5 17.0 21 78 A E E + C 0 32A 61 -12,-0.5 70,-0.4 -2,-0.3 2,-0.3 -0.621 43.3 170.4 -81.0 138.1 29.5 -4.0 13.6 22 79 A M E - C 0 31A 0 9,-2.7 9,-2.7 -2,-0.3 2,-0.4 -0.934 23.5-139.2-139.4 161.7 25.9 -5.1 12.6 23 80 A T E -DC 88 30A 17 65,-2.4 65,-2.0 -2,-0.3 2,-0.4 -0.969 14.8-169.7-125.1 143.7 24.2 -6.3 9.4 24 81 A V E > +DC 87 29A 1 5,-2.0 5,-2.2 -2,-0.4 63,-0.2 -0.988 45.3 6.2-131.5 141.3 20.7 -5.3 8.2 25 82 A G T 5S- 0 0 6 61,-1.9 36,-0.1 -2,-0.4 4,-0.1 -0.069 88.1 -45.9 87.4 176.2 18.7 -6.8 5.4 26 83 A S T 5S+ 0 0 28 1,-0.2 36,-2.6 2,-0.1 37,-0.3 -0.980 131.2 29.9-134.4 114.9 18.9 -9.7 2.9 27 84 A P T 5S- 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.624 121.6-101.8 -67.5 157.7 21.5 -10.0 1.6 28 85 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.244 30.2-155.0 -56.2 130.6 23.2 -8.5 4.7 29 86 A Q E < -C 24 0A 31 -5,-2.2 -5,-2.0 -4,-0.1 2,-0.3 -0.951 17.6-136.1-107.9 117.3 24.3 -4.9 4.5 30 87 A T E +C 23 0A 51 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.572 31.0 166.9 -80.0 134.0 27.2 -4.2 7.0 31 88 A L E -C 22 0A 3 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.5 -0.983 35.8-122.8-143.9 149.8 27.1 -1.0 9.1 32 89 A N E -C 21 0A 3 -2,-0.3 86,-3.1 -11,-0.2 87,-0.8 -0.858 34.1-160.8 -94.5 128.9 28.9 0.4 12.1 33 90 A I E -Ce 20 119A 1 -13,-2.9 -13,-2.4 -2,-0.5 87,-0.2 -0.943 16.8-125.1-124.2 124.8 26.5 1.1 14.9 34 91 A L E -Ce 19 120A 12 85,-2.9 87,-3.6 -2,-0.5 2,-0.7 -0.390 24.3-132.8 -62.7 128.4 27.0 3.4 18.0 35 92 A V E + e 0 121A 1 -17,-2.9 2,-0.5 85,-0.2 -17,-0.3 -0.773 32.4 177.5 -85.9 114.5 26.3 1.5 21.2 36 93 A D E > + e 0 122A 13 85,-2.4 87,-2.6 -2,-0.7 3,-1.0 -0.901 26.4 177.0-127.6 106.6 24.0 3.8 23.3 37 94 A T T 3 S+ 0 0 0 -2,-0.5 164,-0.5 1,-0.2 192,-0.2 0.459 81.2 70.7 -82.2 1.8 22.6 2.8 26.7 38 95 A G T 3 S+ 0 0 13 162,-0.1 2,-0.3 86,-0.1 -1,-0.2 0.325 101.2 35.7 -98.9 5.1 21.0 6.3 26.8 39 96 A S < - 0 0 8 -3,-1.0 85,-2.9 82,-0.2 90,-0.1 -0.889 63.2-141.8-146.6 177.0 18.3 5.8 24.2 40 97 A S + 0 0 2 88,-0.4 2,-0.4 -2,-0.3 98,-0.2 0.273 62.7 96.4-133.3 12.6 16.0 3.1 22.9 41 98 A N - 0 0 9 96,-0.1 81,-1.3 87,-0.1 2,-0.7 -0.871 58.3-144.4-108.0 139.9 15.8 3.3 19.1 42 99 A F E +F 121 0A 7 -2,-0.4 60,-2.3 79,-0.2 2,-0.4 -0.916 37.6 167.5 -97.3 115.4 17.7 1.3 16.5 43 100 A A E -Fg 120 102A 0 77,-2.2 77,-3.1 -2,-0.7 2,-0.3 -0.999 15.0-172.1-137.4 135.1 18.2 3.9 13.7 44 101 A V E -Fg 119 103A 0 58,-2.2 60,-3.0 -2,-0.4 75,-0.3 -0.950 35.7 -99.3-130.1 145.2 20.5 3.8 10.7 45 102 A G E + g 0 104A 1 73,-3.3 11,-2.8 -2,-0.3 60,-0.2 -0.406 40.8 174.0 -56.6 134.9 21.4 6.2 8.0 46 103 A A + 0 0 11 58,-2.8 12,-0.2 9,-0.2 -1,-0.1 0.177 57.0 47.3-131.7 15.0 19.3 5.3 5.0 47 104 A A S S- 0 0 29 57,-0.3 -1,-0.1 7,-0.1 7,-0.1 -0.984 98.3 -74.2-155.1 148.8 20.1 8.1 2.6 48 105 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.113 51.0 173.5 -46.0 136.8 23.3 9.8 1.3 49 106 A H > - 0 0 47 3,-0.5 3,-2.1 -4,-0.1 5,-0.1 -0.983 41.7-119.4-148.1 140.7 25.0 12.2 3.8 50 107 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.766 115.3 44.6 -52.6 -26.8 28.3 14.0 3.6 51 108 A F T 3 S+ 0 0 91 62,-0.1 2,-0.4 60,-0.1 63,-0.3 0.257 100.4 79.7-103.9 10.2 29.6 12.2 6.6 52 109 A L < - 0 0 17 -3,-2.1 -3,-0.5 1,-0.1 3,-0.1 -0.970 48.8-175.2-117.3 129.7 28.4 8.7 5.7 53 110 A H S S+ 0 0 137 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.364 79.5 19.7-102.5 5.1 30.3 6.5 3.3 54 111 A R + 0 0 75 -7,-0.1 2,-0.3 -5,-0.1 -1,-0.2 -0.961 66.6 177.9-165.3 151.6 27.6 3.9 3.4 55 112 A Y - 0 0 69 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.978 40.7 -76.4-155.4 164.0 24.0 3.6 4.4 56 113 A Y - 0 0 2 -11,-2.8 2,-0.8 -2,-0.3 -31,-0.1 -0.523 37.1-160.1 -67.6 121.1 21.0 1.2 4.6 57 114 A Q > - 0 0 67 -2,-0.4 3,-1.7 1,-0.2 4,-0.2 -0.849 6.8-173.5-109.8 96.3 19.4 0.6 1.2 58 115 A R G > S+ 0 0 41 -2,-0.8 3,-1.6 1,-0.3 6,-0.3 0.826 80.1 61.7 -59.1 -36.0 15.9 -0.6 1.8 59 116 A Q G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.599 101.2 55.3 -71.8 -7.3 15.2 -1.3 -1.9 60 117 A L G < S+ 0 0 94 -3,-1.7 2,-0.6 -33,-0.0 -1,-0.3 0.404 90.7 86.0-102.1 -0.5 18.0 -3.9 -1.9 61 118 A S X - 0 0 11 -3,-1.6 3,-1.0 -4,-0.2 -36,-0.1 -0.906 57.5-164.4-106.4 120.4 16.7 -5.9 1.0 62 119 A S T 3 S+ 0 0 106 -36,-2.6 -1,-0.1 -2,-0.6 -4,-0.0 0.676 92.5 52.4 -74.0 -16.0 14.2 -8.6 0.2 63 120 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 23,-0.1 2,-0.1 0.364 79.0 124.3-101.9 5.1 13.2 -8.9 3.8 64 121 A Y < - 0 0 57 -3,-1.0 2,-0.4 -6,-0.3 21,-0.2 -0.428 41.7-165.5 -66.6 133.9 12.5 -5.2 4.3 65 122 A R E -H 84 0A 148 19,-2.5 19,-2.3 -2,-0.1 2,-0.4 -0.988 13.3-138.3-127.2 122.6 9.0 -4.4 5.7 66 123 A D E -H 83 0A 85 -2,-0.4 17,-0.3 17,-0.2 16,-0.0 -0.659 10.7-168.0 -81.1 124.7 7.6 -0.8 5.6 67 124 A L E - 0 0 76 15,-2.1 16,-0.2 -2,-0.4 -1,-0.1 0.462 31.4-135.0 -89.7 -1.5 5.7 0.2 8.7 68 125 A R E + 0 0 226 14,-0.5 2,-0.3 1,-0.2 15,-0.1 0.859 66.0 114.6 51.0 42.6 4.3 3.3 6.9 69 126 A K E -H 82 0A 101 13,-0.6 13,-2.9 2,-0.0 -2,-0.2 -0.999 54.7-143.3-143.0 139.2 5.1 5.5 9.9 70 127 A G E -H 81 0A 49 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.539 10.5-160.2 -97.9 168.2 7.5 8.4 10.4 71 128 A V E -H 80 0A 9 9,-2.0 9,-2.9 -2,-0.2 2,-0.5 -0.978 5.2-163.3-151.3 133.9 9.5 9.4 13.4 72 129 A Y E -H 79 0A 112 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.981 6.3-175.4-121.8 121.3 11.2 12.6 14.5 73 130 A V E -H 78 0A 3 5,-2.9 5,-2.3 -2,-0.5 2,-0.5 -0.909 5.0-171.7-121.4 104.1 13.9 12.6 17.2 74 131 A P 0 0 54 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.820 360.0 360.0 -98.0 129.0 15.2 16.0 18.3 75 132 A Y 0 0 165 -2,-0.5 35,-0.0 0, 0.0 -2,-0.0 -0.453 360.0 360.0-119.6 360.0 18.2 16.3 20.6 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 136 A K 0 0 99 0, 0.0 31,-3.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 126.7 18.3 15.7 15.4 78 137 A W E -HI 73 107A 4 -5,-2.3 -5,-2.9 29,-0.3 2,-0.4 -0.995 360.0-156.2-145.8 148.2 17.2 13.1 12.9 79 138 A E E +HI 72 106A 76 27,-3.6 26,-2.1 -2,-0.3 27,-1.7 -0.970 24.6 165.6-123.0 140.0 14.1 12.1 11.0 80 139 A G E -HI 71 104A 6 -9,-2.9 -9,-2.0 -2,-0.4 2,-0.5 -0.887 36.5-112.5-148.4-179.5 13.2 8.7 9.7 81 140 A E E -HI 70 103A 90 22,-1.9 22,-3.1 -2,-0.3 -11,-0.2 -0.976 35.7-130.3-120.4 125.7 10.9 6.1 8.3 82 141 A L E +HI 69 102A 1 -13,-2.9 -15,-2.1 -2,-0.5 -13,-0.6 -0.542 43.5 130.8 -81.1 141.5 10.0 3.1 10.4 83 142 A G E -HI 66 101A 2 18,-1.5 18,-2.8 -17,-0.3 2,-0.3 -0.895 43.2-114.5-164.8-173.3 10.1 -0.5 9.1 84 143 A T E +HI 65 100A 17 -19,-2.3 -19,-2.5 -2,-0.3 2,-0.3 -0.939 31.4 159.8-136.6 158.7 11.5 -3.9 10.1 85 144 A D E - 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