==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-05 2FDP . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.YANG,W.LU,Y.LU,M.ZHONG,J.SUN,A.E.THOMAS,J.M.WILKINSON, . 1116 9 9 0 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 771 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 326 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 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 . 3 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 . 148 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 10 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 6 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 . 7 10 11 6 9 11 3 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 6 0 0 0 0 0 0 0 0 3 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 46PA S 0 0 85 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 154.1 2.2 -13.2 21.3 2 47PA F >> + 0 0 61 1,-0.2 3,-1.4 2,-0.2 4,-0.6 0.781 360.0 66.5 -76.0 -28.3 3.3 -9.8 22.7 3 48PA V G >4 S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.850 95.9 58.5 -56.2 -37.5 -0.0 -8.1 21.8 4 1 A E G 34 S+ 0 0 31 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.634 106.1 49.0 -67.7 -16.4 -1.6 -10.4 24.4 5 2 A M G X4 S+ 0 0 7 -3,-1.4 3,-1.0 -4,-0.2 162,-0.7 0.476 83.9 109.9-104.9 -6.8 0.7 -9.0 27.1 6 3 A V T << S+ 0 0 7 -3,-0.9 160,-0.1 -4,-0.6 -3,-0.0 -0.495 87.4 10.0 -71.9 139.3 0.2 -5.3 26.4 7 4 A D T 3 S+ 0 0 44 -2,-0.2 159,-0.2 149,-0.1 -1,-0.2 0.808 86.4 132.4 62.2 34.3 -1.7 -3.3 29.1 8 5 A N < + 0 0 14 -3,-1.0 12,-0.6 84,-0.1 2,-0.4 0.495 48.4 81.6 -94.0 -5.7 -1.5 -6.3 31.5 9 6 A L E +AB 19 165A 0 156,-2.7 156,-1.8 147,-0.1 2,-0.3 -0.830 54.9 173.5-102.0 140.0 -0.4 -4.2 34.5 10 7 A R E +AB 18 164A 116 8,-2.1 8,-3.4 -2,-0.4 2,-0.3 -0.880 9.0 134.0-134.6 167.8 -2.8 -2.3 36.7 11 8 A G E -AB 17 163A 1 152,-1.4 152,-2.7 -2,-0.3 2,-0.4 -0.979 46.7 -90.7 173.4 179.6 -2.5 -0.3 39.9 12 9 A K > - 0 0 90 4,-0.7 3,-2.4 -2,-0.3 4,-0.4 -0.954 58.1 -87.1-116.0 141.3 -3.2 2.8 42.0 13 10 A S T 3 S+ 0 0 67 -2,-0.4 146,-0.0 1,-0.3 212,-0.0 -0.183 112.4 2.5 -52.0 125.0 -0.8 5.8 42.0 14 11 A G T 3 S+ 0 0 32 1,-0.1 -1,-0.3 210,-0.0 211,-0.1 0.630 115.0 87.2 72.4 15.8 1.9 5.3 44.6 15 12 A Q S < S- 0 0 55 -3,-2.4 -2,-0.2 1,-0.2 98,-0.1 0.304 96.1-101.9-125.4 2.6 0.5 1.8 45.6 16 13 A G - 0 0 15 -4,-0.4 -4,-0.7 -5,-0.1 2,-0.4 0.073 28.0 -84.4 98.8 156.5 2.4 -0.2 43.0 17 14 A Y E -A 11 0A 9 205,-0.4 17,-2.5 17,-0.3 2,-0.3 -0.836 45.0-167.1 -97.5 135.2 1.9 -2.0 39.7 18 15 A Y E -AC 10 33A 24 -8,-3.4 -8,-2.1 -2,-0.4 2,-0.3 -0.893 12.1-151.1-125.0 155.4 0.4 -5.5 39.7 19 16 A V E -AC 9 32A 1 13,-3.3 13,-3.5 -2,-0.3 2,-0.3 -0.925 27.4-110.8-119.9 146.4 -0.1 -8.4 37.3 20 17 A E E + C 0 31A 64 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.611 43.5 170.7 -76.2 133.0 -2.8 -11.1 37.3 21 18 A M E - C 0 30A 0 9,-2.5 9,-3.2 -2,-0.3 2,-0.4 -0.963 25.6-141.7-138.7 155.6 -1.6 -14.6 38.2 22 19 A T E -DC 89 29A 22 67,-2.5 67,-2.3 -2,-0.3 2,-0.4 -0.959 17.0-169.6-117.5 141.6 -3.1 -18.0 38.9 23 20 A V E > -DC 88 28A 0 5,-1.5 5,-1.8 -2,-0.4 65,-0.2 -0.996 44.3 -1.4-132.9 134.1 -1.7 -20.4 41.6 24 21 A G T 5S- 0 0 4 63,-2.2 36,-0.1 -2,-0.4 62,-0.1 -0.169 89.7 -43.3 88.8-179.3 -2.6 -24.0 42.3 25 22 A S T 5S+ 0 0 33 1,-0.3 36,-2.3 2,-0.1 37,-0.3 -0.959 133.8 31.1-137.3 116.2 -5.0 -26.6 40.9 26 23 A P T 5S- 0 0 101 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.556 120.8-107.5 -66.5 153.8 -7.7 -25.6 40.3 27 24 A P T 5 - 0 0 85 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.204 26.5-148.1 -58.7 136.0 -6.1 -22.2 39.6 28 25 A Q E < -C 23 0A 29 -5,-1.8 -5,-1.5 -4,-0.1 2,-0.3 -0.935 15.7-131.3-107.7 119.2 -6.5 -19.3 42.1 29 26 A T E +C 22 0A 60 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.533 36.0 165.1 -73.2 125.0 -6.7 -15.8 40.7 30 27 A L E -C 21 0A 2 -9,-3.2 -9,-2.5 -2,-0.3 2,-0.5 -0.996 36.4-129.9-142.5 135.5 -4.4 -13.3 42.5 31 28 A N E -C 20 0A 14 -2,-0.3 88,-3.3 86,-0.3 89,-1.0 -0.757 31.4-163.1 -82.2 125.1 -3.1 -9.9 41.7 32 29 A I E -Ce 19 120A 0 -13,-3.5 -13,-3.3 -2,-0.5 89,-0.3 -0.949 16.6-123.2-121.6 126.2 0.7 -9.9 42.2 33 30 A L E -Ce 18 121A 12 87,-3.7 89,-3.7 -2,-0.5 2,-0.8 -0.425 22.4-129.1 -68.1 132.7 2.9 -6.8 42.6 34 31 A V E + e 0 122A 1 -17,-2.5 2,-0.5 87,-0.2 -17,-0.3 -0.753 34.1 174.4 -86.6 110.2 5.8 -6.5 40.1 35 32 A D E > + e 0 123A 6 87,-2.4 89,-2.7 -2,-0.8 3,-0.8 -0.916 22.7 175.7-126.8 105.9 9.0 -5.9 42.0 36 33 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.5 1,-0.2 184,-0.2 0.410 78.7 73.1 -82.7 1.0 12.3 -5.8 40.3 37 34 A G T 3 S+ 0 0 12 154,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.403 101.2 34.2 -96.7 -0.9 13.9 -4.8 43.7 38 35 A S < - 0 0 9 -3,-0.8 87,-3.0 84,-0.2 92,-0.1 -0.869 63.9-140.4-143.4 178.0 13.6 -8.2 45.3 39 36 A S + 0 0 2 90,-0.3 2,-0.4 -2,-0.3 100,-0.2 0.264 62.9 103.3-129.9 9.8 13.7 -11.9 44.4 40 37 A N - 0 0 5 98,-0.1 83,-1.1 89,-0.1 2,-0.8 -0.832 55.4-148.3-103.3 133.3 10.9 -13.7 46.4 41 38 A F E +F 122 0A 4 -2,-0.4 62,-2.9 81,-0.2 2,-0.4 -0.885 36.0 165.9 -93.2 108.3 7.6 -14.8 45.0 42 39 A A E -Fg 121 103A 0 79,-2.3 79,-2.8 -2,-0.8 2,-0.3 -0.964 17.3-174.5-130.5 143.7 5.3 -14.4 48.0 43 40 A V E -Fg 120 104A 0 60,-2.6 62,-2.8 -2,-0.4 77,-0.2 -0.994 36.6 -99.5-138.1 142.4 1.5 -14.4 48.4 44 41 A G E + g 0 105A 1 75,-2.4 11,-3.3 -2,-0.3 62,-0.2 -0.408 37.8 175.4 -57.2 128.6 -0.9 -13.8 51.3 45 42 A A + 0 0 12 60,-2.8 12,-0.2 9,-0.2 -1,-0.1 0.196 59.6 49.8-124.7 11.9 -2.0 -17.2 52.6 46 43 A A S S- 0 0 31 59,-0.4 9,-0.1 7,-0.1 7,-0.1 -0.981 98.0 -77.7-146.7 152.5 -4.1 -16.0 55.6 47 44 A P + 0 0 99 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.183 49.5 179.1 -50.5 139.6 -6.9 -13.5 56.2 48 45 A H > - 0 0 52 3,-0.3 3,-1.7 -4,-0.1 59,-0.0 -0.989 38.8-124.3-146.3 139.8 -5.8 -9.9 56.4 49 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.725 116.1 44.2 -54.5 -24.2 -7.8 -6.6 56.9 50 47 A F T 3 S+ 0 0 84 64,-0.1 65,-0.5 65,-0.0 2,-0.4 0.475 98.6 88.8-100.1 -6.4 -6.2 -5.3 53.6 51 48 A L < - 0 0 20 -3,-1.7 -3,-0.3 1,-0.1 3,-0.1 -0.792 47.6-174.4 -98.2 135.4 -6.6 -8.5 51.6 52 49 A H S S+ 0 0 159 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.695 79.4 5.5 -94.5 -26.8 -9.8 -9.3 49.6 53 50 A R - 0 0 82 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.3 -0.953 69.7-166.3-148.1 165.5 -8.6 -12.8 48.6 54 51 A Y - 0 0 70 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.2 -0.966 32.6 -83.5-152.1 166.4 -5.7 -15.1 49.5 55 52 A Y - 0 0 2 -11,-3.3 2,-0.6 -2,-0.3 -31,-0.1 -0.597 35.7-161.5 -75.0 125.8 -3.8 -18.2 48.6 56 53 A Q > - 0 0 59 -2,-0.4 3,-1.3 1,-0.1 4,-0.3 -0.882 10.2-175.5-116.1 99.8 -5.3 -21.4 50.0 57 54 A R G > S+ 0 0 43 -2,-0.6 3,-0.7 1,-0.3 6,-0.2 0.730 82.3 63.1 -66.1 -25.9 -2.9 -24.3 50.1 58 55 A Q G 3 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.710 101.9 51.6 -70.8 -21.7 -5.5 -26.7 51.3 59 56 A L G < S+ 0 0 103 -3,-1.3 2,-0.5 -33,-0.0 -1,-0.2 0.452 93.9 84.3 -96.4 -3.5 -7.6 -26.2 48.1 60 57 A S X - 0 0 11 -3,-0.7 3,-0.8 -4,-0.3 -36,-0.1 -0.907 55.6-166.2-107.1 122.7 -4.7 -26.9 45.7 61 58 A S T 3 S+ 0 0 104 -36,-2.3 -1,-0.1 -2,-0.5 -4,-0.0 0.704 90.1 54.4 -76.2 -22.5 -3.9 -30.5 44.8 62 59 A T T 3 S+ 0 0 32 -37,-0.3 2,-0.2 25,-0.1 -1,-0.2 0.334 80.5 121.6 -95.5 5.5 -0.5 -29.6 43.3 63 60 A Y < - 0 0 51 -3,-0.8 2,-0.4 -6,-0.2 23,-0.2 -0.508 42.8-167.0 -71.3 134.2 0.7 -27.8 46.4 64 61 A R E -H 85 0A 148 21,-2.6 21,-2.4 -2,-0.2 2,-0.2 -0.987 14.4-136.5-126.8 122.4 3.9 -29.2 47.9 65 62 A D E -H 84 0A 73 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.541 12.0-169.4 -74.4 137.5 5.1 -28.2 51.4 66 63 A L E - 0 0 70 17,-2.1 18,-0.2 -2,-0.2 -1,-0.1 0.436 29.5-137.4-103.5 -4.7 8.9 -27.4 51.8 67 64 A R E + 0 0 217 16,-0.5 2,-0.4 1,-0.2 17,-0.1 0.798 61.8 123.1 51.5 37.3 8.7 -27.3 55.6 68 65 A K E - 0 0 100 15,-0.4 15,-2.8 2,-0.0 2,-0.2 -0.993 56.3-135.5-131.4 132.8 10.9 -24.2 55.7 69 66 A G E -H 82 0A 61 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.607 22.5-167.7 -84.4 145.8 10.2 -20.8 57.3 70 67 A V E -H 81 0A 6 11,-2.6 11,-2.5 -2,-0.2 2,-0.4 -0.986 10.7-173.2-137.8 146.1 11.1 -17.6 55.4 71 68 A Y E -H 80 0A 99 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.985 2.4-170.3-141.6 126.7 11.3 -13.9 56.3 72 69 A V E -H 79 0A 9 7,-1.9 7,-1.6 -2,-0.4 2,-0.6 -0.956 4.1-164.5-122.9 113.9 11.9 -11.0 54.0 73 70 A P E -H 78 0A 46 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.868 12.0-170.1 -93.0 117.4 12.6 -7.4 55.3 74 71 A Y - 0 0 49 3,-2.2 3,-0.3 -2,-0.6 -36,-0.0 -0.278 43.6 -94.5 -88.1-176.9 12.1 -4.7 52.7 75 72 A T S S+ 0 0 97 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.880 121.1 19.1 -64.3 -39.2 13.2 -1.0 53.0 76 73 A Q S S+ 0 0 171 1,-0.1 -1,-0.3 35,-0.0 34,-0.0 -0.970 126.9 4.7-134.7 119.0 9.6 -0.4 54.1 77 74 A G - 0 0 15 -2,-0.4 -3,-2.2 -3,-0.3 2,-0.3 0.051 60.6-149.2 91.8 156.6 7.4 -3.3 55.4 78 75 A K E -HI 73 109A 87 31,-1.9 31,-3.0 -5,-0.2 2,-0.3 -0.983 5.4-160.6-157.9 153.1 8.2 -7.0 56.0 79 76 A W E -HI 72 108A 2 -7,-1.6 -7,-1.9 -2,-0.3 2,-0.3 -0.938 9.2-144.4-136.7 162.2 6.4 -10.4 55.9 80 77 A E E +HI 71 107A 89 27,-3.4 26,-2.1 -2,-0.3 27,-1.3 -0.936 29.5 162.2-121.9 148.3 6.8 -13.9 57.2 81 78 A G E -HI 70 105A 5 -11,-2.5 -11,-2.6 -2,-0.3 2,-0.4 -0.988 39.0-109.4-161.6 166.5 5.9 -17.1 55.4 82 79 A E E -HI 69 104A 84 22,-2.0 22,-3.3 -2,-0.3 -13,-0.2 -0.889 39.9-126.8-103.3 132.4 6.0 -20.8 54.8 83 80 A L E + I 0 103A 2 -15,-2.8 -17,-2.1 -2,-0.4 -16,-0.5 -0.495 43.1 133.7 -83.2 148.1 7.9 -22.1 51.8 84 81 A G E -HI 65 102A 2 18,-0.9 18,-3.7 -19,-0.2 2,-0.4 -0.977 42.8-108.3-173.1 175.1 6.5 -24.4 49.1 85 82 A T E +HI 64 101A 21 -21,-2.4 -21,-2.6 -2,-0.3 2,-0.3 -0.938 35.0 154.2-122.4 146.2 6.0 -25.2 45.4 86 83 A D E - I 0 100A 0 14,-1.6 14,-2.1 -2,-0.4 2,-0.4 -0.971 48.6 -80.2-157.8 167.5 2.9 -25.0 43.2 87 84 A L E - I 0 99A 51 -2,-0.3 -63,-2.2 12,-0.2 2,-0.4 -0.622 48.2-168.7 -77.2 126.6 1.8 -24.6 39.6 88 85 A V E +DI 23 98A 0 10,-3.2 10,-2.4 -2,-0.4 2,-0.3 -0.934 8.8 177.8-121.8 140.7 1.8 -20.9 38.5 89 86 A S E -DI 22 97A 25 -67,-2.3 -67,-2.5 -2,-0.4 8,-0.1 -0.953 24.3-144.8-136.2 156.4 0.4 -19.2 35.4 90 87 A I > - 0 0 8 4,-0.6 3,-2.0 6,-0.5 6,-0.2 -0.933 12.0-163.5-120.6 103.9 0.1 -15.7 34.0 91 88 A P T 3 S+ 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.879 93.3 37.4 -55.2 -46.1 -3.2 -15.4 32.1 92 89 A H T 3 S+ 0 0 88 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 0.002 117.6 64.0 -96.3 25.9 -2.2 -12.2 30.3 93 90 A G S < S- 0 0 2 -3,-2.0 2,-0.1 1,-0.3 -87,-0.1 -0.305 108.0 -30.3-117.7-153.1 1.4 -13.4 29.9 94 91 A P - 0 0 17 0, 0.0 2,-2.4 0, 0.0 -4,-0.6 -0.432 65.7-111.6 -65.5 141.4 2.9 -16.4 28.1 95 92 A N S S+ 0 0 130 -2,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.401 78.4 111.2 -76.7 67.2 0.5 -19.4 27.8 96 93 A V - 0 0 45 -2,-2.4 -6,-0.5 -6,-0.2 2,-0.4 -0.969 56.5-142.8-140.7 153.1 2.6 -21.7 30.1 97 94 A T E - 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