==== 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 21-DEC-09 3L5C . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.STRICKLAND,Z.ZHU . 774 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 217 28.0 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 89 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.6 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 6 4 6 8 2 0 0 1 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 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 58 0, 0.0 3,-0.3 0, 0.0 181,-0.1 0.000 360.0 360.0 360.0 111.2 36.6 -15.1 29.6 2 59 A S + 0 0 104 179,-0.3 3,-0.1 1,-0.2 180,-0.1 0.392 360.0 60.0-100.0 2.8 33.8 -17.2 28.2 3 60 A F >> + 0 0 61 1,-0.1 3,-2.1 2,-0.1 4,-1.0 -0.283 55.0 149.8-125.0 48.8 32.6 -14.9 25.4 4 61 A V T 34 + 0 0 112 -3,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.769 66.4 66.8 -52.5 -29.5 35.7 -14.6 23.2 5 62 A E T 34 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.775 109.9 36.6 -66.9 -22.0 33.6 -14.2 20.1 6 63 A M T X4 S+ 0 0 12 -3,-2.1 3,-1.3 169,-0.0 170,-0.7 0.564 89.5 110.3-105.2 -11.7 32.4 -10.8 21.4 7 64 A V T 3< S+ 0 0 34 -4,-1.0 168,-0.1 1,-0.3 85,-0.0 -0.436 88.9 10.7 -66.5 136.1 35.5 -9.6 23.1 8 65 A D T 3 S+ 0 0 89 -2,-0.1 -1,-0.3 147,-0.1 167,-0.2 0.769 85.1 132.8 68.3 26.9 37.1 -6.6 21.3 9 66 A N < + 0 0 18 -3,-1.3 12,-0.6 82,-0.1 2,-0.3 0.405 49.8 85.6 -88.9 3.6 34.1 -6.1 19.1 10 67 A L E -AB 20 174A 0 164,-2.5 163,-2.9 10,-0.1 164,-0.9 -0.781 50.4-178.8-108.4 150.7 34.0 -2.4 19.7 11 68 A R E +A 19 0A 74 8,-1.8 8,-3.0 -2,-0.3 2,-0.3 -0.942 38.1 57.7-136.4 159.0 35.8 0.6 18.0 12 69 A G E -A 18 0A 8 156,-0.5 2,-0.3 159,-0.3 6,-0.3 -0.840 62.8 -98.9 125.5-160.7 35.7 4.3 18.7 13 70 A K E > -A 17 0A 61 4,-1.3 4,-2.7 -2,-0.3 3,-0.3 -0.976 35.2 -91.5-161.9 163.6 36.4 6.8 21.5 14 71 A S T 4 S+ 0 0 12 -2,-0.3 323,-0.2 1,-0.2 4,-0.1 0.868 118.5 48.3 -49.7 -46.8 34.6 8.9 24.1 15 72 A G T 4 S+ 0 0 24 1,-0.2 -1,-0.2 2,-0.1 219,-0.1 0.869 125.3 25.3 -67.2 -39.1 34.3 12.0 22.0 16 73 A Q T 4 S- 0 0 52 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.550 115.3-108.2-104.1 -7.9 32.9 10.4 18.8 17 74 A G E < -A 13 0A 8 -4,-2.7 -4,-1.3 17,-0.1 2,-0.4 -0.034 23.0 -87.9 100.4 155.8 31.3 7.3 20.4 18 75 A Y E -A 12 0A 4 213,-0.3 17,-3.1 17,-0.3 2,-0.3 -0.879 45.3-169.9-102.2 132.7 31.9 3.6 20.5 19 76 A Y E -AC 11 34A 5 -8,-3.0 -8,-1.8 -2,-0.4 2,-0.3 -0.894 14.9-153.3-129.2 155.5 30.3 1.4 17.8 20 77 A V E -AC 10 33A 1 13,-2.7 13,-2.8 -2,-0.3 2,-0.3 -0.916 29.9-107.7-122.9 148.0 29.7 -2.2 16.9 21 78 A E E + C 0 32A 61 -12,-0.6 70,-0.4 -2,-0.3 2,-0.3 -0.592 43.7 169.4 -77.1 135.1 29.4 -3.9 13.5 22 79 A M E - C 0 31A 0 9,-2.8 9,-2.8 -2,-0.3 2,-0.4 -0.920 24.0-141.2-138.0 161.8 25.9 -5.0 12.5 23 80 A T E -DC 88 30A 17 65,-2.3 65,-2.1 -2,-0.3 2,-0.4 -0.979 14.7-169.6-126.4 143.8 24.2 -6.2 9.3 24 81 A V E > +DC 87 29A 0 5,-2.1 5,-2.1 -2,-0.4 63,-0.2 -0.994 44.9 7.1-133.1 138.6 20.7 -5.3 8.2 25 82 A G T 5S- 0 0 6 61,-2.1 36,-0.1 -2,-0.4 4,-0.1 -0.085 87.4 -46.6 89.4 174.8 18.6 -6.8 5.4 26 83 A S T 5S+ 0 0 30 1,-0.2 36,-2.8 2,-0.1 37,-0.3 -0.975 131.0 29.3-133.9 114.3 18.8 -9.7 3.0 27 84 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.588 121.9-101.8 -67.7 158.0 21.4 -10.0 1.6 28 85 A P T 5 - 0 0 85 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.229 29.7-154.9 -56.7 131.3 23.1 -8.5 4.6 29 86 A Q E < -C 24 0A 30 -5,-2.1 -5,-2.1 -4,-0.1 2,-0.3 -0.947 18.4-135.1-106.7 119.5 24.2 -4.8 4.5 30 87 A T E +C 23 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.592 31.5 167.6 -80.9 133.6 27.1 -4.1 6.8 31 88 A L E -C 22 0A 3 -9,-2.8 -9,-2.8 -2,-0.3 2,-0.5 -0.993 35.4-124.1-144.1 146.9 26.9 -1.0 9.0 32 89 A N E -C 21 0A 4 -2,-0.3 86,-3.3 -11,-0.2 87,-1.0 -0.826 33.7-160.3 -90.7 129.6 28.8 0.5 12.0 33 90 A I E -Ce 20 119A 0 -13,-2.8 -13,-2.7 -2,-0.5 87,-0.3 -0.949 17.1-124.4-125.6 121.8 26.4 1.2 14.8 34 91 A L E -Ce 19 120A 13 85,-2.9 87,-3.6 -2,-0.5 2,-0.8 -0.343 24.7-133.4 -56.1 124.7 26.8 3.5 17.8 35 92 A V E + e 0 121A 2 -17,-3.1 2,-0.5 85,-0.2 -17,-0.3 -0.760 33.2 177.7 -85.2 112.8 26.3 1.7 21.1 36 93 A D E > + e 0 122A 13 85,-2.4 87,-2.5 -2,-0.8 3,-0.9 -0.892 26.8 177.2-126.5 107.0 23.9 3.9 23.1 37 94 A T T 3 S+ 0 0 0 -2,-0.5 164,-0.5 1,-0.2 192,-0.2 0.502 81.6 68.0 -81.2 -1.3 22.6 3.1 26.5 38 95 A G T 3 S+ 0 0 13 162,-0.1 2,-0.3 86,-0.1 -1,-0.2 0.266 101.1 42.0-100.6 10.8 20.9 6.5 26.7 39 96 A S < - 0 0 19 -3,-0.9 85,-2.9 82,-0.2 90,-0.1 -0.914 62.2-145.2-146.6 172.9 18.3 5.9 23.9 40 97 A S + 0 0 2 88,-0.4 2,-0.4 -2,-0.3 98,-0.2 0.323 62.1 96.2-130.8 9.0 15.9 3.1 22.8 41 98 A N - 0 0 13 96,-0.1 81,-1.3 87,-0.1 2,-0.7 -0.844 58.5-144.8-104.7 139.1 15.7 3.3 18.9 42 99 A F E +F 121 0A 6 -2,-0.4 60,-2.2 79,-0.2 2,-0.4 -0.921 39.5 165.5 -96.4 114.7 17.6 1.3 16.4 43 100 A A E -Fg 120 102A 0 77,-2.1 77,-3.2 -2,-0.7 2,-0.3 -1.000 16.5-172.2-139.4 136.5 18.1 3.8 13.6 44 101 A V E -Fg 119 103A 0 58,-2.4 60,-3.0 -2,-0.4 75,-0.3 -0.961 36.0 -98.5-132.2 145.9 20.3 3.9 10.6 45 102 A G E + g 0 104A 1 73,-3.2 11,-2.7 -2,-0.3 60,-0.1 -0.406 40.8 173.8 -57.1 133.8 21.3 6.4 7.9 46 103 A A + 0 0 11 58,-2.6 12,-0.2 9,-0.2 -1,-0.1 0.172 56.8 47.5-130.8 14.3 19.1 5.4 4.9 47 104 A A S S- 0 0 29 57,-0.3 -1,-0.1 7,-0.1 7,-0.1 -0.982 99.0 -70.1-154.1 152.7 19.9 8.2 2.5 48 105 A P + 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.111 53.5 172.9 -45.6 134.0 23.0 10.0 1.2 49 106 A H > - 0 0 44 3,-0.4 3,-2.3 1,-0.1 5,-0.1 -0.979 42.3-121.5-151.0 136.6 24.8 12.2 3.8 50 107 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.733 114.9 43.5 -45.5 -30.2 28.1 14.2 3.7 51 108 A F T 3 S+ 0 0 89 62,-0.1 2,-0.5 -3,-0.0 63,-0.3 0.442 99.7 82.0-100.7 -1.7 29.4 12.2 6.7 52 109 A L < - 0 0 19 -3,-2.3 -3,-0.4 1,-0.1 3,-0.1 -0.888 46.5-176.2-106.8 130.5 28.2 8.7 5.6 53 110 A H S S+ 0 0 131 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.353 81.1 19.0-102.4 5.0 30.2 6.6 3.2 54 111 A R - 0 0 76 -5,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.964 67.0-178.6-165.3 154.2 27.5 4.0 3.3 55 112 A Y - 0 0 68 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.987 39.1 -80.4-156.4 159.9 23.8 3.7 4.3 56 113 A Y - 0 0 3 -11,-2.7 2,-0.8 -2,-0.3 -31,-0.1 -0.484 36.2-161.3 -65.1 121.4 20.9 1.3 4.5 57 114 A Q > - 0 0 64 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.857 6.8-173.7-110.8 97.3 19.2 0.7 1.1 58 115 A R G > S+ 0 0 41 -2,-0.8 3,-1.5 1,-0.3 6,-0.3 0.794 80.1 64.0 -59.9 -31.6 15.8 -0.7 1.8 59 116 A Q G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.629 100.5 54.5 -70.5 -12.5 15.1 -1.4 -1.9 60 117 A L G < S+ 0 0 93 -3,-1.7 2,-0.6 -33,-0.0 -1,-0.3 0.402 90.6 88.9 -99.7 0.7 17.9 -3.9 -1.9 61 118 A S X - 0 0 10 -3,-1.5 3,-1.0 -4,-0.2 -36,-0.1 -0.898 55.2-166.5-105.9 117.1 16.6 -5.9 1.0 62 119 A S T 3 S+ 0 0 104 -36,-2.8 -1,-0.1 -2,-0.6 -4,-0.0 0.709 93.1 51.1 -71.3 -20.5 14.2 -8.8 0.2 63 120 A T T 3 S+ 0 0 30 -37,-0.3 -1,-0.2 23,-0.1 2,-0.1 0.369 80.2 125.4 -99.7 2.9 13.2 -9.0 3.9 64 121 A Y < - 0 0 57 -3,-1.0 2,-0.4 -6,-0.3 21,-0.2 -0.413 40.5-166.6 -61.5 132.1 12.4 -5.3 4.3 65 122 A R E -H 84 0A 146 19,-2.3 19,-2.3 -2,-0.1 2,-0.5 -0.988 12.8-140.4-127.4 122.5 9.0 -4.5 5.7 66 123 A D E -H 83 0A 80 -2,-0.4 17,-0.3 17,-0.2 16,-0.1 -0.695 9.1-166.0 -85.0 122.4 7.5 -1.0 5.5 67 124 A L E - 0 0 75 15,-1.9 16,-0.2 -2,-0.5 -1,-0.1 0.498 31.1-134.1 -83.8 -3.9 5.6 0.1 8.6 68 125 A R E + 0 0 231 14,-0.5 2,-0.4 1,-0.2 15,-0.1 0.840 67.1 113.8 54.5 38.0 4.1 3.1 6.8 69 126 A K E -H 82 0A 102 13,-0.5 13,-3.0 2,-0.0 -2,-0.2 -0.999 56.5-140.9-142.5 136.0 4.9 5.4 9.7 70 127 A G E -H 81 0A 50 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.454 11.4-155.8 -90.3 166.9 7.2 8.3 10.2 71 128 A V E -H 80 0A 9 9,-2.0 9,-2.5 -2,-0.1 2,-0.5 -0.989 2.8-162.0-145.9 133.3 9.3 9.1 13.3 72 129 A Y E -H 79 0A 105 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.968 7.3-177.4-120.6 118.9 10.7 12.4 14.5 73 130 A V E -H 78 0A 10 5,-2.7 5,-2.5 -2,-0.5 2,-0.4 -0.873 2.8-177.4-122.4 101.6 13.5 12.5 17.0 74 131 A P 0 0 52 0, 0.0 -2,-0.0 0, 0.0 5,-0.0 -0.815 360.0 360.0 -97.5 130.6 14.6 16.0 18.2 75 132 A Y 0 0 164 -2,-0.4 -2,-0.0 0, 0.0 35,-0.0 -0.679 360.0 360.0-105.0 360.0 17.5 16.2 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 98 0, 0.0 31,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 144.1 17.6 15.8 15.4 78 137 A W E -HI 73 107A 1 -5,-2.5 -5,-2.7 29,-0.3 2,-0.4 -0.992 360.0-155.2-139.2 146.7 16.9 13.1 12.9 79 138 A E E +HI 72 106A 71 27,-3.8 26,-2.3 -2,-0.3 27,-1.8 -0.952 24.9 161.9-120.7 140.5 13.8 12.1 10.9 80 139 A G E -HI 71 104A 6 -9,-2.5 -9,-2.0 -2,-0.4 2,-0.5 -0.919 37.9-109.0-151.2 178.9 13.0 8.7 9.6 81 140 A E E -HI 70 103A 83 22,-2.1 22,-3.0 -2,-0.3 -11,-0.2 -0.957 36.3-128.8-116.2 125.9 10.7 6.0 8.2 82 141 A L E +HI 69 102A 2 -13,-3.0 -15,-1.9 -2,-0.5 -13,-0.5 -0.477 44.0 130.7 -77.7 143.2 9.8 3.0 10.3 83 142 A G E -HI 66 101A 2 18,-1.3 18,-3.0 -17,-0.3 2,-0.3 -0.931 42.8-117.5-168.6-176.6 10.1 -0.6 9.1 84 143 A T E +HI 65 100A 17 -19,-2.3 -19,-2.3 -2,-0.3 2,-0.3 -0.927 31.6 157.9-134.5 159.8 11.4 -3.9 10.2 85 144 A D E - 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