==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-07 2VA6 . COMPND 2 MOLECULE: BETA SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.D.EDWARDS,J.S.ALBERT,M.SYLVESTER,D.AHARONY,D.ANDISIK, . 376 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 28.7 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 . 2 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 . 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 . 50 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.2 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 1 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 . 3 3 3 2 3 4 1 0 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 0 103 0, 0.0 4,-1.1 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -4.9 65.8 61.8 -16.0 2 0 A V T 34 + 0 0 134 1,-0.2 3,-0.3 2,-0.2 170,-0.0 0.853 360.0 59.7 -58.4 -35.2 68.8 60.9 -18.1 3 1 A E T 34 S+ 0 0 107 1,-0.2 -1,-0.2 89,-0.0 164,-0.0 0.860 104.6 46.9 -59.1 -38.2 70.7 62.8 -15.4 4 2 A M T X4 S+ 0 0 6 -3,-0.5 3,-1.5 164,-0.1 162,-0.6 0.695 83.8 115.5 -82.1 -16.8 69.5 60.4 -12.6 5 3 A V T 3< S+ 0 0 54 -4,-1.1 160,-0.1 -3,-0.3 -3,-0.0 -0.247 87.5 3.9 -59.8 133.9 70.3 57.2 -14.5 6 4 A D T 3 S+ 0 0 113 149,-0.1 -1,-0.3 1,-0.1 159,-0.2 0.786 83.6 138.4 64.7 29.4 73.0 55.1 -12.8 7 5 A N < + 0 0 12 -3,-1.5 12,-0.6 84,-0.1 2,-0.4 0.220 50.7 82.1 -89.1 15.3 73.2 57.4 -9.8 8 6 A L E -AB 18 164A 3 156,-2.0 156,-1.4 10,-0.1 2,-0.3 -0.927 54.4-179.1-118.3 145.7 73.5 54.5 -7.3 9 7 A R E +AB 17 163A 98 8,-1.5 8,-2.0 -2,-0.4 154,-0.2 -0.813 35.6 57.8-128.2 173.0 76.6 52.4 -6.4 10 8 A G E -A 16 0A 6 152,-1.4 2,-0.2 -2,-0.3 6,-0.2 -0.324 69.4 -80.5 103.7-179.0 77.2 49.4 -4.1 11 9 A K E > -A 15 0A 55 4,-0.6 4,-0.9 150,-0.1 147,-0.1 -0.606 30.5-112.0-111.0 175.7 75.9 45.8 -3.6 12 10 A S T 4 S+ 0 0 11 -2,-0.2 315,-0.2 2,-0.2 316,-0.1 0.734 119.3 58.5 -74.5 -26.5 72.9 44.1 -2.0 13 11 A G T 4 S+ 0 0 29 1,-0.2 -1,-0.2 2,-0.1 211,-0.1 0.897 123.8 19.6 -66.5 -42.3 75.3 42.7 0.5 14 12 A Q T 4 S- 0 0 64 1,-0.3 -2,-0.2 210,-0.1 -1,-0.2 0.272 115.6-107.3-112.7 4.0 76.5 46.2 1.6 15 13 A G E < -A 11 0A 9 -4,-0.9 -4,-0.6 -5,-0.1 2,-0.4 -0.041 27.9 -89.3 93.4 162.7 73.5 48.4 0.3 16 14 A Y E -A 10 0A 2 17,-0.4 17,-3.0 205,-0.3 2,-0.3 -0.930 42.5-167.6-112.8 140.5 73.0 50.9 -2.5 17 15 A Y E -AC 9 32A 19 -8,-2.0 -8,-1.5 -2,-0.4 2,-0.3 -0.920 14.1-150.4-130.5 154.5 73.8 54.6 -2.0 18 16 A V E -AC 8 31A 1 13,-2.7 13,-2.7 -2,-0.3 2,-0.2 -0.905 31.2-108.6-118.3 147.1 73.3 57.9 -3.8 19 17 A E E + C 0 30A 43 -12,-0.6 2,-0.3 -2,-0.3 72,-0.3 -0.546 43.8 178.1 -71.0 138.8 75.6 60.9 -3.6 20 18 A M E - C 0 29A 1 9,-3.0 9,-2.9 -2,-0.2 2,-0.4 -0.930 21.1-143.9-135.2 162.5 74.0 63.7 -1.6 21 19 A T E -DC 88 28A 20 67,-2.2 67,-2.3 -2,-0.3 2,-0.3 -0.997 17.8-173.9-126.8 135.7 75.1 67.2 -0.5 22 20 A V E > +DC 87 27A 2 5,-2.7 5,-3.5 -2,-0.4 65,-0.2 -0.946 42.1 9.3-129.9 150.5 74.3 68.7 2.9 23 21 A G T 5S- 0 0 5 63,-1.0 4,-0.2 -2,-0.3 36,-0.1 0.294 91.3 -49.3 71.8 164.5 74.8 72.2 4.4 24 22 A S T 5S+ 0 0 27 2,-0.1 36,-2.9 63,-0.0 37,-0.3 -0.971 131.7 33.0-114.1 120.5 76.0 75.5 2.9 25 23 A P T 5S- 0 0 88 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.642 120.0 -99.0 -74.2 167.8 78.5 75.3 1.4 26 24 A P T 5 - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.342 31.6-159.7 -64.6 119.4 77.6 71.7 0.1 27 25 A Q E < -C 22 0A 25 -5,-3.5 -5,-2.7 -2,-0.2 2,-0.4 -0.881 19.9-135.2 -91.2 127.7 79.3 68.9 2.0 28 26 A T E +C 21 0A 68 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.719 31.2 169.2 -87.5 130.7 79.3 65.7 -0.2 29 27 A L E -C 20 0A 2 -9,-2.9 -9,-3.0 -2,-0.4 2,-0.6 -0.966 34.2-127.7-139.0 153.1 78.2 62.4 1.4 30 28 A N E -C 19 0A 10 -2,-0.3 88,-3.0 -11,-0.2 89,-0.6 -0.938 34.9-168.0-102.6 120.9 77.4 58.9 0.2 31 29 A I E -Ce 18 119A 0 -13,-2.7 -13,-2.7 -2,-0.6 89,-0.2 -0.951 20.9-117.7-127.3 130.6 74.0 57.9 1.6 32 30 A L E -Ce 17 120A 18 87,-2.7 89,-3.5 -2,-0.4 2,-0.8 -0.397 21.6-133.7 -66.5 130.2 72.2 54.5 1.7 33 31 A V E + e 0 121A 0 -17,-3.0 2,-0.5 87,-0.2 -17,-0.4 -0.787 35.6 173.2 -86.6 107.7 68.9 54.3 -0.1 34 32 A D E > + e 0 122A 17 87,-1.9 89,-2.6 -2,-0.8 3,-0.8 -0.931 26.1 179.1-129.5 105.2 66.7 52.5 2.5 35 33 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.4 1,-0.2 184,-0.2 0.394 78.8 73.7 -86.6 4.4 63.0 52.1 1.9 36 34 A G T 3 S+ 0 0 13 154,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.307 99.7 36.2 -97.9 8.6 62.8 50.3 5.2 37 35 A S < - 0 0 10 -3,-0.8 87,-2.9 84,-0.2 92,-0.1 -0.937 63.2-142.5-153.0 172.7 63.2 53.3 7.5 38 36 A S + 0 0 3 90,-0.3 2,-0.4 -2,-0.3 100,-0.3 0.258 63.8 99.2-131.1 11.8 62.2 57.0 7.6 39 37 A N - 0 0 10 98,-0.1 83,-1.6 89,-0.1 2,-0.9 -0.833 58.9-145.3-107.0 139.1 65.1 58.8 9.1 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.5 81,-0.2 2,-0.5 -0.888 35.1 170.6 -96.2 100.1 67.7 60.7 7.3 41 39 A A E -Fg 120 102A 0 79,-1.5 79,-2.8 -2,-0.9 2,-0.4 -0.971 9.6-177.4-117.5 125.7 70.8 60.0 9.5 42 40 A V E -Fg 119 103A 0 60,-2.3 62,-3.6 -2,-0.5 77,-0.3 -0.944 34.0-105.2-126.0 143.5 74.3 61.0 8.6 43 41 A G E + g 0 104A 1 75,-2.9 11,-3.5 -2,-0.4 62,-0.1 -0.451 36.2 174.9 -65.8 129.2 77.6 60.3 10.5 44 42 A A + 0 0 14 60,-2.2 12,-0.2 9,-0.3 -1,-0.1 0.184 56.6 59.0-128.5 18.2 78.8 63.6 12.0 45 43 A A S S- 0 0 33 59,-0.3 2,-2.5 10,-0.1 9,-0.1 -0.964 95.3 -93.3-147.1 151.4 81.9 62.5 14.0 46 44 A P + 0 0 92 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.266 47.1 173.2 -76.8 57.2 85.1 60.8 12.9 47 45 A H > - 0 0 56 -2,-2.5 3,-1.4 1,-0.1 59,-0.0 -0.434 40.4-122.6 -50.8 133.7 84.3 57.1 13.4 48 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.737 106.4 59.4 -67.8 -28.7 87.3 55.4 11.9 49 47 A F T 3 S+ 0 0 72 64,-0.1 65,-0.4 62,-0.0 2,-0.3 0.644 89.3 97.7 -62.7 -22.0 85.4 53.3 9.3 50 48 A L < - 0 0 23 -3,-1.4 3,-0.1 1,-0.1 68,-0.1 -0.591 53.4-166.6 -84.3 136.0 84.0 56.5 7.7 51 49 A H S S+ 0 0 108 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.763 80.5 8.4 -75.2 -36.4 85.4 58.2 4.6 52 50 A R - 0 0 75 -22,-0.1 2,-0.3 65,-0.0 -1,-0.2 -0.940 66.2-170.4-142.3 157.6 83.4 61.4 5.2 53 51 A Y - 0 0 72 -2,-0.3 2,-0.5 -9,-0.1 -9,-0.3 -0.986 34.1 -93.6-154.8 158.8 81.2 62.9 7.8 54 52 A Y - 0 0 1 -11,-3.5 2,-0.8 -2,-0.3 3,-0.1 -0.577 31.2-165.6 -75.4 118.8 78.8 65.8 8.3 55 53 A Q > - 0 0 63 -2,-0.5 3,-1.7 1,-0.2 4,-0.1 -0.825 6.5-177.5-109.2 90.6 80.6 68.8 9.9 56 54 A R G > S+ 0 0 41 -2,-0.8 3,-2.9 1,-0.3 6,-0.3 0.863 76.6 70.2 -58.0 -39.5 77.8 71.1 11.1 57 55 A Q G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.774 96.7 55.2 -47.1 -30.7 80.2 73.8 12.2 58 56 A L G < S+ 0 0 97 -3,-1.7 2,-0.6 -33,-0.0 -1,-0.3 0.386 89.5 93.2 -88.2 2.7 81.0 74.4 8.6 59 57 A S X - 0 0 15 -3,-2.9 3,-0.7 1,-0.2 -36,-0.1 -0.878 51.4-167.1-109.9 117.4 77.3 75.1 7.5 60 58 A S T 3 S+ 0 0 107 -36,-2.9 -1,-0.2 -2,-0.6 -4,-0.0 0.857 94.3 48.3 -52.5 -39.0 75.8 78.6 7.4 61 59 A T T 3 S+ 0 0 32 -37,-0.3 -1,-0.2 25,-0.1 23,-0.1 0.481 81.5 114.6 -97.5 -3.1 72.4 77.0 7.0 62 60 A Y < - 0 0 44 -3,-0.7 2,-0.3 -6,-0.3 23,-0.2 -0.328 42.4-167.8 -65.5 148.6 72.4 74.4 9.8 63 61 A R E -H 84 0A 150 21,-2.0 21,-1.8 0, 0.0 2,-0.1 -0.940 16.3-134.2-141.0 123.3 69.9 74.8 12.7 64 62 A D E -H 83 0A 81 -2,-0.3 19,-0.3 19,-0.2 18,-0.1 -0.426 7.4-162.5 -69.2 140.0 70.0 72.8 15.9 65 63 A L E - 0 0 80 17,-2.3 18,-0.2 2,-0.2 -1,-0.1 0.194 32.4-131.3-104.4 10.0 66.7 71.4 17.1 66 64 A R E S+ 0 0 223 16,-0.3 2,-0.3 1,-0.1 17,-0.1 0.891 71.8 104.5 43.3 63.3 68.1 70.9 20.6 67 65 A K E - 0 0 95 15,-0.4 15,-2.5 2,-0.0 -2,-0.2 -0.887 55.9-146.4-173.1 140.0 66.7 67.3 20.7 68 66 A G E -H 81 0A 47 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.664 2.9-145.7-117.7 168.0 68.4 63.9 20.4 69 67 A V E -H 80 0A 7 11,-1.7 11,-2.1 -2,-0.2 2,-0.4 -0.998 5.1-166.5-136.9 140.9 67.6 60.5 19.0 70 68 A Y E -H 79 0A 124 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.998 9.6-176.0-123.8 127.5 68.4 57.0 20.1 71 69 A V E -H 78 0A 2 7,-3.5 7,-2.0 -2,-0.4 2,-0.2 -0.849 4.5-168.8-130.5 95.1 67.7 54.1 17.6 72 70 A P E +H 77 0A 67 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.544 7.3 177.2 -79.8 150.7 68.4 50.5 18.7 73 71 A Y - 0 0 93 3,-2.1 2,-0.6 -2,-0.2 37,-0.0 -0.680 53.1 -57.6-126.8-175.4 68.4 47.5 16.3 74 72 A T S S- 0 0 149 -2,-0.2 2,-1.7 1,-0.2 3,-0.1 -0.674 125.7 -24.1 -70.2 117.6 69.1 43.8 16.7 75 73 A Q S S+ 0 0 136 -2,-0.6 -1,-0.2 1,-0.2 0, 0.0 -0.075 131.7 95.4 53.2 -30.3 72.7 44.0 18.1 76 74 A G + 0 0 11 -2,-1.7 -3,-2.1 33,-0.1 2,-0.2 -0.107 46.3 167.6 -75.9 169.8 72.9 47.5 16.4 77 75 A K E -HI 72 108A 34 31,-1.8 31,-2.1 -5,-0.3 2,-0.3 -0.842 12.4-170.8-168.6 150.7 72.3 51.1 17.5 78 76 A W E -HI 71 107A 2 -7,-2.0 -7,-3.5 -2,-0.2 2,-0.3 -0.947 5.1-172.3-135.5 170.7 72.8 54.7 16.5 79 77 A E E +HI 70 106A 64 27,-1.6 26,-2.3 -2,-0.3 27,-1.9 -0.971 16.0 149.2-158.5 134.1 72.3 57.9 18.3 80 78 A G E -HI 69 104A 5 -11,-2.1 -11,-1.7 -2,-0.3 2,-0.5 -0.840 42.6 -85.4-153.7-165.0 72.5 61.6 17.2 81 79 A E E -HI 68 103A 78 22,-1.8 22,-1.9 -2,-0.2 -13,-0.2 -0.951 38.9-131.3-121.0 115.4 71.4 65.3 17.4 82 80 A L E + I 0 102A 1 -15,-2.5 -17,-2.3 -2,-0.5 -15,-0.4 -0.426 45.6 133.0 -68.3 133.3 68.3 66.4 15.5 83 81 A G E -HI 64 101A 1 18,-1.5 18,-2.0 -19,-0.3 2,-0.3 -0.867 43.7-119.3-151.7-169.5 68.7 69.5 13.3 84 82 A T E +HI 63 100A 18 -21,-1.8 -21,-2.0 16,-0.3 2,-0.3 -0.975 32.4 157.9-136.5 154.7 67.7 70.7 9.8 85 83 A D E - 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