==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-12 4B78 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.GRAVENFORS,J.BLID,T.GINMAN,S.KARLSTROM,J.KIHLSTROM,K.KOLMO . 372 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 68.5 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 . 113 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 47 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 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 . 2 5 4 1 2 5 1 0 0 0 0 1 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 E 0 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.7 -19.8 -7.5 -26.1 2 2 A M > + 0 0 39 160,-0.0 3,-1.3 163,-0.0 161,-0.5 0.683 360.0 106.5 -87.9 -22.4 -17.0 -5.6 -24.4 3 3 A V T 3 S+ 0 0 56 1,-0.3 159,-0.1 159,-0.1 169,-0.0 -0.298 88.0 12.3 -59.4 140.6 -17.0 -7.6 -21.2 4 4 A D T 3 S+ 0 0 120 149,-0.1 -1,-0.3 1,-0.1 158,-0.2 0.753 81.9 134.9 63.6 31.7 -14.0 -9.9 -20.8 5 5 A N < + 0 0 18 -3,-1.3 12,-0.5 84,-0.1 2,-0.3 0.407 51.2 81.0 -89.6 3.5 -12.1 -8.4 -23.7 6 6 A L E +AB 16 161A 5 155,-2.4 155,-1.3 10,-0.1 2,-0.3 -0.840 50.4 177.2-108.6 151.9 -8.8 -8.3 -21.7 7 7 A R E +AB 15 160A 149 8,-1.9 8,-2.8 -2,-0.3 153,-0.3 -0.881 9.4 165.2-134.2 169.2 -6.1 -11.0 -21.1 8 8 A G E -A 14 0A 8 151,-1.5 2,-0.4 -2,-0.3 6,-0.2 -0.906 32.6-126.2 179.9 154.1 -2.8 -10.9 -19.3 9 9 A K > - 0 0 88 4,-0.6 3,-2.4 -2,-0.3 4,-0.4 -0.848 54.2 -87.1-100.2 144.7 0.1 -12.7 -17.6 10 10 A S T 3 S+ 0 0 21 -2,-0.4 289,-0.2 1,-0.3 -1,-0.1 -0.267 112.4 3.6 -54.0 130.9 1.1 -11.7 -14.1 11 11 A G T 3 S+ 0 0 28 210,-0.1 -1,-0.3 1,-0.1 210,-0.2 0.448 115.3 87.3 73.0 4.9 3.5 -8.8 -14.1 12 12 A Q S < S- 0 0 42 -3,-2.4 -2,-0.2 1,-0.3 98,-0.1 0.316 91.7-107.5-121.5 6.2 3.3 -8.4 -17.8 13 13 A G - 0 0 11 -4,-0.4 -4,-0.6 -5,-0.1 2,-0.4 -0.207 28.9 -83.5 99.8 170.2 0.3 -6.2 -18.4 14 14 A Y E -A 8 0A 8 17,-0.4 17,-3.0 204,-0.2 2,-0.3 -0.958 44.7-164.5-115.6 141.2 -3.2 -6.5 -19.7 15 15 A Y E -AC 7 30A 10 -8,-2.8 -8,-1.9 -2,-0.4 2,-0.3 -0.924 13.0-156.1-132.5 157.1 -3.9 -6.4 -23.4 16 16 A V E -AC 6 29A 2 13,-2.5 13,-2.9 -2,-0.3 2,-0.3 -0.898 31.4-107.2-124.6 146.2 -6.8 -6.0 -25.8 17 17 A E E + C 0 28A 68 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.621 45.5 170.4 -73.6 134.4 -7.1 -7.2 -29.4 18 18 A M E - C 0 27A 0 9,-2.9 9,-2.6 -2,-0.3 2,-0.4 -0.921 23.8-139.0-132.3 162.9 -6.8 -4.4 -31.9 19 19 A T E -DC 86 26A 18 67,-2.6 67,-2.1 -2,-0.3 2,-0.4 -0.972 13.2-167.6-122.5 152.4 -6.5 -4.2 -35.7 20 20 A V E > -DC 85 25A 1 5,-1.9 5,-2.5 -2,-0.4 65,-0.2 -0.988 47.2 -2.7-132.2 134.8 -4.3 -1.8 -37.8 21 21 A G T 5S- 0 0 5 63,-2.4 36,-0.1 -2,-0.4 4,-0.1 -0.027 88.5 -40.0 87.0-179.1 -4.4 -1.1 -41.5 22 22 A S T 5S+ 0 0 29 2,-0.1 36,-2.1 1,-0.1 37,-0.4 -0.984 129.8 29.2-137.1 121.3 -6.4 -2.4 -44.5 23 23 A P T 5S- 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.667 120.6-101.7 -65.2 161.7 -6.9 -5.2 -44.7 24 24 A P T 5 - 0 0 86 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.310 30.4-154.5 -64.2 134.4 -6.9 -5.4 -40.9 25 25 A Q E < -C 20 0A 30 -5,-2.5 -5,-1.9 -4,-0.1 2,-0.3 -0.944 18.0-134.8-104.3 124.4 -3.9 -6.8 -39.2 26 26 A T E +C 19 0A 52 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.608 31.9 165.2 -84.1 132.6 -4.7 -8.3 -35.8 27 27 A L E -C 18 0A 4 -9,-2.6 -9,-2.9 -2,-0.3 2,-0.4 -0.981 36.9-124.1-141.2 148.6 -2.4 -7.5 -32.8 28 28 A N E -C 17 0A 16 -2,-0.3 88,-3.2 -11,-0.2 89,-0.7 -0.860 34.1-163.5 -91.1 135.7 -2.6 -7.8 -29.0 29 29 A I E -Ce 16 117A 0 -13,-2.9 -13,-2.5 -2,-0.4 89,-0.3 -0.981 19.6-122.1-132.8 124.5 -2.0 -4.4 -27.4 30 30 A L E -Ce 15 118A 12 87,-2.9 89,-3.3 -2,-0.4 2,-0.6 -0.488 25.6-130.2 -68.4 130.2 -1.1 -3.6 -23.8 31 31 A V E - e 0 119A 2 -17,-3.0 2,-0.5 -2,-0.2 -17,-0.4 -0.759 34.0-178.3 -86.9 110.4 -3.7 -1.2 -22.3 32 32 A D E > + e 0 120A 17 87,-2.6 89,-2.7 -2,-0.6 3,-1.0 -0.894 27.6 176.4-127.3 100.3 -1.6 1.6 -20.7 33 33 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.5 1,-0.2 183,-0.2 0.480 81.0 69.5 -78.9 -1.3 -3.0 4.5 -18.7 34 34 A G T 3 S+ 0 0 12 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.186 101.8 36.8-100.2 14.4 0.5 5.7 -18.0 35 35 A S < - 0 0 32 -3,-1.0 87,-2.8 84,-0.1 92,-0.1 -0.939 62.6-142.6-158.0 174.0 1.5 6.8 -21.5 36 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.254 61.9 96.9-135.4 9.7 -0.1 8.4 -24.6 37 37 A N - 0 0 14 98,-0.1 83,-2.0 89,-0.1 2,-0.8 -0.835 61.4-139.7-103.2 144.8 1.3 6.8 -27.7 38 38 A F E +F 119 0A 7 -2,-0.4 62,-2.7 81,-0.2 2,-0.4 -0.917 41.2 170.7 -92.7 104.4 -0.2 4.1 -29.9 39 39 A A E -Fg 118 100A 3 79,-2.3 79,-3.2 -2,-0.8 2,-0.4 -0.991 9.4-179.0-130.0 122.3 3.1 2.3 -30.5 40 40 A V E -Fg 117 101A 0 60,-2.7 62,-2.9 -2,-0.4 77,-0.3 -0.967 36.7-100.0-127.7 140.5 3.3 -1.1 -32.2 41 41 A G E + g 0 102A 0 75,-3.2 11,-2.7 -2,-0.4 62,-0.1 -0.307 41.6 171.1 -47.2 129.2 6.1 -3.6 -33.1 42 42 A A + 0 0 11 60,-2.3 12,-0.2 9,-0.2 -1,-0.1 0.128 57.1 42.0-137.8 20.3 6.7 -3.0 -36.9 43 43 A A S S- 0 0 28 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.942 99.2 -71.8-157.9 159.1 9.9 -5.1 -37.5 44 44 A P + 0 0 99 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.203 50.0 169.7 -58.7 145.9 11.0 -8.5 -36.4 45 45 A H > - 0 0 49 3,-0.3 3,-2.2 59,-0.1 59,-0.0 -0.943 43.6-118.1-155.4 140.8 12.1 -9.0 -32.8 46 46 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.778 115.4 46.7 -55.0 -26.5 12.9 -12.3 -31.0 47 47 A F T 3 S+ 0 0 79 64,-0.1 2,-0.6 -3,-0.0 65,-0.3 0.422 91.6 97.0 -98.3 2.2 10.0 -11.6 -28.5 48 48 A L < - 0 0 20 -3,-2.2 -3,-0.3 1,-0.2 3,-0.1 -0.824 50.8-167.1 -98.7 122.6 7.3 -10.6 -31.1 49 49 A H S S- 0 0 124 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.815 80.8 -15.0 -67.8 -29.8 4.8 -13.2 -32.3 50 50 A R - 0 0 89 -7,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.927 68.2-154.1-163.0 171.1 3.8 -10.9 -35.1 51 51 A Y - 0 0 74 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.982 33.0 -82.1-157.0 158.4 4.2 -7.2 -36.1 52 52 A Y - 0 0 1 -11,-2.7 2,-0.8 -2,-0.3 -31,-0.1 -0.505 35.3-157.6 -63.5 123.6 2.6 -4.4 -38.1 53 53 A Q > - 0 0 64 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.844 8.4-173.9-107.5 95.7 3.5 -4.6 -41.8 54 54 A R G > S+ 0 0 56 -2,-0.8 3,-1.6 1,-0.3 6,-0.3 0.822 80.7 61.8 -60.4 -34.2 3.0 -1.2 -43.2 55 55 A Q G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.722 100.6 55.2 -67.6 -18.0 3.7 -2.2 -46.8 56 56 A L G < S+ 0 0 103 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.451 92.8 84.5 -90.9 -1.3 0.7 -4.6 -46.6 57 57 A S X - 0 0 9 -3,-1.6 3,-1.1 -4,-0.3 -36,-0.1 -0.904 56.7-168.4-106.6 117.2 -1.6 -1.8 -45.6 58 58 A S T 3 S+ 0 0 109 -36,-2.1 -1,-0.1 -2,-0.6 -3,-0.0 0.516 88.7 55.0 -77.8 -4.1 -3.1 0.3 -48.5 59 59 A T T 3 S+ 0 0 34 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.1 0.422 80.2 117.0-108.3 -0.5 -4.4 2.9 -46.0 60 60 A Y < - 0 0 45 -3,-1.1 2,-0.4 -6,-0.3 23,-0.2 -0.409 42.5-170.0 -65.9 140.6 -1.0 3.6 -44.3 61 61 A R E -H 82 0A 159 21,-2.4 21,-2.2 -2,-0.1 2,-0.3 -0.970 17.2-138.6-129.3 125.0 0.4 7.1 -44.5 62 62 A D E -H 81 0A 57 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.605 5.0-157.1 -73.0 131.7 4.0 7.9 -43.3 63 63 A L E - 0 0 63 17,-2.5 18,-0.2 -2,-0.3 -1,-0.1 0.439 30.9-128.8 -88.1 -1.6 4.1 11.2 -41.5 64 64 A R E S+ 0 0 203 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.890 72.4 114.3 54.5 41.7 7.8 11.6 -42.2 65 65 A K E - 0 0 87 15,-0.5 15,-2.7 2,-0.0 -2,-0.2 -0.988 54.4-147.5-137.3 134.5 8.6 12.2 -38.5 66 66 A G E -H 79 0A 46 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.565 6.1-152.8 -99.0 168.5 10.7 9.9 -36.4 67 67 A V E -H 78 0A 5 11,-2.5 11,-2.8 -2,-0.2 2,-0.4 -0.992 9.9-175.7-145.9 134.2 10.3 9.2 -32.7 68 68 A Y E -H 77 0A 119 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.997 3.9-175.2-133.9 126.3 12.9 8.0 -30.1 69 69 A V E +H 76 0A 11 7,-3.3 7,-2.0 -2,-0.4 2,-0.5 -0.867 6.8 179.8-130.8 96.1 12.0 7.2 -26.5 70 70 A P E +H 75 0A 67 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.837 19.0 170.3 -85.8 129.2 14.7 6.3 -24.0 71 71 A Y - 0 0 92 3,-3.0 3,-0.3 -2,-0.5 -2,-0.0 -0.743 47.0 -86.1-130.4-178.5 12.9 5.7 -20.6 72 72 A T S S+ 0 0 132 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.950 122.5 30.4 -58.8 -55.6 14.2 4.3 -17.3 73 73 A Q S S- 0 0 147 -3,-0.0 2,-0.3 35,-0.0 -1,-0.2 0.496 130.9 -28.0 -86.8 -5.3 13.8 0.5 -17.9 74 74 A G - 0 0 10 -3,-0.3 -3,-3.0 2,-0.0 2,-0.3 -0.928 56.4-111.8-174.2-161.2 14.3 0.6 -21.7 75 75 A K E -HI 70 106A 84 31,-2.2 31,-2.6 -2,-0.3 2,-0.3 -0.985 16.2-175.0-155.7 153.1 14.1 2.3 -25.1 76 76 A W E -HI 69 105A 15 -7,-2.0 -7,-3.3 -2,-0.3 2,-0.3 -0.987 3.1-170.3-147.4 159.3 12.3 2.3 -28.4 77 77 A E E +HI 68 104A 82 27,-2.6 26,-2.1 -2,-0.3 27,-1.7 -0.979 19.9 124.9-144.0 151.5 12.5 4.0 -31.7 78 78 A G E -HI 67 102A 7 -11,-2.8 -11,-2.5 -2,-0.3 2,-0.4 -0.970 47.3 -68.3-176.7-159.4 10.4 4.3 -34.8 79 79 A E E -HI 66 101A 45 22,-1.9 22,-2.9 -2,-0.3 2,-0.2 -0.939 36.5-129.6-121.1 136.3 8.5 6.1 -37.5 80 80 A L E + I 0 100A 0 -15,-2.7 -17,-2.5 -2,-0.4 -16,-0.5 -0.574 41.0 139.3 -84.7 142.5 5.3 8.0 -37.2 81 81 A G E -HI 62 99A 0 18,-1.7 18,-2.8 -19,-0.3 2,-0.3 -0.903 40.7-116.4-159.8-178.4 2.4 7.4 -39.5 82 82 A T E +HI 61 98A 21 -21,-2.2 -21,-2.4 -2,-0.3 2,-0.3 -0.958 34.5 154.0-130.5 154.4 -1.4 7.1 -39.5 83 83 A D E - I 0 97A 0 14,-1.8 14,-2.6 -2,-0.3 2,-0.3 -0.961 48.7 -71.3-165.1 174.1 -3.6 4.2 -40.4 84 84 A L E - I 0 96A 50 -2,-0.3 -63,-2.4 12,-0.2 2,-0.4 -0.615 49.5-171.9 -82.0 133.2 -7.1 2.7 -39.8 85 85 A V E +DI 20 95A 1 10,-3.0 10,-2.3 -2,-0.3 2,-0.3 -0.980 8.8 172.6-131.5 137.4 -7.5 1.3 -36.3 86 86 A S E -DI 19 94A 22 -67,-2.1 -67,-2.6 -2,-0.4 8,-0.1 -0.957 27.8-141.4-139.4 162.3 -10.3 -0.8 -34.7 87 87 A I > - 0 0 5 6,-0.6 3,-2.4 4,-0.5 6,-0.2 -0.917 15.3-159.5-123.0 98.9 -11.0 -2.7 -31.5 88 88 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.846 93.1 35.5 -51.9 -40.4 -12.9 -5.9 -32.4 89 89 A H T 3 S+ 0 0 84 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.079 116.9 65.3-104.8 35.2 -14.3 -6.4 -28.9 90 90 A G S < S- 0 0 14 -3,-2.4 74,-0.1 1,-0.4 -87,-0.1 -0.281 104.0 -18.8-122.4-147.3 -14.7 -2.7 -28.2 91 91 A P - 0 0 13 0, 0.0 2,-2.0 0, 0.0 -4,-0.5 -0.294 68.4-112.1 -62.3 150.8 -16.8 0.0 -29.8 92 92 A N S S+ 0 0 170 -3,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.360 82.1 98.4 -84.3 57.9 -18.2 -0.8 -33.2 93 93 A V - 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