==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JAN-08 3BUG . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,M.HENNIG . 357 6 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 30.5 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 . 1 0.3 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 . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 4 4 1 2 5 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 0 102 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 24.3 -13.9 27.8 67.7 2 0 A V G > + 0 0 118 1,-0.3 3,-0.8 2,-0.2 169,-0.0 0.807 360.0 64.4 -57.2 -31.6 -17.3 28.6 66.0 3 1 A E G 3 S+ 0 0 115 1,-0.2 -1,-0.3 89,-0.0 0, 0.0 0.774 105.7 46.0 -58.0 -27.4 -19.0 26.6 68.8 4 2 A M G X S+ 0 0 7 -3,-1.8 3,-1.0 160,-0.0 161,-0.7 0.471 84.6 107.9-101.8 -5.7 -17.7 29.2 71.3 5 3 A V T < S+ 0 0 53 -3,-0.8 159,-0.1 -4,-0.5 -3,-0.0 -0.563 89.3 10.4 -77.2 136.6 -18.5 32.4 69.5 6 4 A D T 3 S+ 0 0 89 -2,-0.3 -1,-0.2 149,-0.1 158,-0.2 0.738 85.1 134.7 69.4 25.0 -21.4 34.4 71.0 7 5 A N < + 0 0 16 -3,-1.0 12,-0.5 84,-0.1 2,-0.4 0.382 49.0 81.9 -85.8 2.6 -21.4 32.2 74.1 8 6 A L E +AB 18 163A 0 155,-2.5 155,-1.8 10,-0.1 2,-0.2 -0.918 53.0 173.0-112.6 136.4 -21.7 35.1 76.6 9 7 A R E +AB 17 162A 102 8,-2.1 8,-2.7 -2,-0.4 2,-0.3 -0.760 10.8 133.4-125.4 174.9 -24.8 36.9 77.5 10 8 A G E -AB 16 161A 5 151,-1.1 151,-0.8 -2,-0.2 2,-0.3 -0.963 43.9 -97.3 169.4-177.5 -25.7 39.6 80.1 11 9 A K > - 0 0 92 4,-0.7 3,-2.7 -2,-0.3 4,-0.2 -0.977 56.3 -79.8-128.1 146.2 -27.4 42.9 81.0 12 10 A S T 3 S+ 0 0 56 -2,-0.3 211,-0.0 1,-0.3 146,-0.0 -0.120 114.8 2.0 -48.2 125.4 -25.7 46.3 81.2 13 11 A G T 3 S+ 0 0 34 1,-0.1 -1,-0.3 210,-0.1 210,-0.1 0.291 112.8 89.9 81.5 -8.4 -23.8 46.7 84.4 14 12 A Q S < S- 0 0 48 -3,-2.7 -2,-0.2 1,-0.3 98,-0.1 0.173 90.9-114.5-108.8 15.9 -24.6 43.2 85.6 15 13 A G - 0 0 16 -4,-0.2 -4,-0.7 -5,-0.1 2,-0.4 0.034 31.0 -72.9 80.2 173.7 -21.6 41.3 84.1 16 14 A Y E -A 10 0A 8 17,-0.4 17,-3.0 204,-0.3 2,-0.3 -0.884 44.6-162.4-110.5 140.5 -21.2 38.6 81.5 17 15 A Y E -AC 9 32A 29 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.3 -0.931 9.5-156.0-129.1 148.8 -22.3 35.0 82.0 18 16 A V E -AC 8 31A 2 13,-2.6 13,-3.1 -2,-0.3 2,-0.4 -0.871 29.0-111.3-115.2 150.4 -21.6 31.6 80.3 19 17 A E E + C 0 30A 69 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.700 42.6 175.7 -81.6 129.9 -23.8 28.6 80.4 20 18 A M E - C 0 29A 1 9,-3.1 9,-3.1 -2,-0.4 2,-0.4 -0.937 22.4-142.7-131.5 157.4 -22.2 25.7 82.5 21 19 A T E -DC 88 28A 19 67,-2.7 67,-2.5 -2,-0.3 2,-0.4 -0.985 16.6-172.2-120.8 133.5 -23.3 22.3 83.6 22 20 A V E > +DC 87 27A 1 5,-2.2 5,-2.5 -2,-0.4 65,-0.2 -0.960 44.5 1.6-122.2 143.5 -22.5 20.7 86.9 23 21 A G T 5S- 0 0 6 63,-2.2 4,-0.2 -2,-0.4 36,-0.1 0.119 90.0 -45.9 80.7 170.9 -23.1 17.2 88.3 24 22 A S T 5S+ 0 0 31 2,-0.1 36,-1.8 1,-0.0 37,-0.4 -0.987 129.4 34.1-125.1 122.0 -24.5 14.0 86.8 25 23 A P T 5S- 0 0 93 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 0.599 120.4 -99.3 -65.5 160.4 -27.1 14.2 85.3 26 24 A P T 5 - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.295 31.9-155.8 -60.0 121.9 -26.0 17.7 84.0 27 25 A Q E < -C 22 0A 23 -5,-2.5 -5,-2.2 -4,-0.2 2,-0.6 -0.903 15.2-139.2 -96.9 121.8 -27.5 20.7 85.9 28 26 A T E +C 21 0A 70 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.724 30.9 166.9 -85.5 119.9 -27.5 23.8 83.6 29 27 A L E -C 20 0A 4 -9,-3.1 -9,-3.1 -2,-0.6 2,-0.5 -0.980 35.2-126.4-133.0 144.2 -26.6 27.1 85.3 30 28 A N E -C 19 0A 18 -2,-0.3 88,-3.1 -11,-0.2 89,-0.8 -0.813 32.7-163.7 -89.8 128.8 -25.6 30.6 84.1 31 29 A I E -Ce 18 119A 1 -13,-3.1 -13,-2.6 -2,-0.5 89,-0.2 -0.952 18.6-123.6-129.2 122.4 -22.3 31.6 85.6 32 30 A L E -Ce 17 120A 16 87,-3.0 89,-3.9 -2,-0.5 2,-0.7 -0.402 25.8-131.0 -62.7 132.4 -20.7 35.1 85.8 33 31 A V E + e 0 121A 1 -17,-3.0 2,-0.5 87,-0.2 -17,-0.4 -0.798 32.0 177.7 -90.0 113.9 -17.3 35.3 84.2 34 32 A D E > + e 0 122A 15 87,-2.3 89,-3.4 -2,-0.7 3,-0.8 -0.907 24.9 176.4-129.2 108.0 -14.8 36.9 86.6 35 33 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.5 1,-0.2 183,-0.2 0.460 81.2 68.8 -84.6 0.2 -11.1 37.4 85.9 36 34 A G T 3 S+ 0 0 10 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.360 102.2 38.1 -99.3 3.1 -10.7 39.3 89.2 37 35 A S < - 0 0 25 -3,-0.8 87,-2.8 84,-0.2 86,-0.2 -0.915 63.2-141.8-146.7 175.4 -11.3 36.3 91.5 38 36 A S + 0 0 2 90,-0.3 2,-0.4 -2,-0.3 100,-0.3 0.340 61.4 101.5-128.7 3.9 -10.5 32.6 91.7 39 37 A N - 0 0 11 89,-0.1 83,-1.4 98,-0.1 2,-0.7 -0.775 55.8-147.3 -98.3 138.0 -13.5 30.7 93.2 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.0 81,-0.2 2,-0.4 -0.917 37.0 166.0 -91.3 111.3 -16.1 28.7 91.3 41 39 A A E -Fg 120 102A 0 79,-2.2 79,-2.8 -2,-0.7 2,-0.4 -0.989 14.0-177.7-139.1 126.5 -19.1 29.4 93.5 42 40 A V E -Fg 119 103A 0 60,-1.9 62,-3.0 -2,-0.4 77,-0.3 -0.942 36.9 -99.4-126.0 142.7 -22.8 28.7 92.7 43 41 A G E + g 0 104A 1 75,-3.0 11,-3.5 -2,-0.4 62,-0.1 -0.389 36.5 178.3 -55.5 131.2 -26.1 29.3 94.5 44 42 A A + 0 0 18 60,-2.4 12,-0.2 9,-0.2 -1,-0.1 0.127 57.8 60.1-126.7 17.2 -27.1 26.0 96.2 45 43 A A S S- 0 0 34 59,-0.2 2,-2.7 7,-0.1 9,-0.1 -0.965 96.1 -93.3-146.1 152.9 -30.3 27.2 97.9 46 44 A P + 0 0 96 0, 0.0 7,-0.0 0, 0.0 -3,-0.0 -0.284 49.4 176.1 -73.0 60.0 -33.6 28.7 96.7 47 45 A H > - 0 0 57 -2,-2.7 3,-1.9 1,-0.1 5,-0.0 -0.456 37.3-125.0 -57.2 132.0 -32.7 32.3 97.1 48 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.790 106.8 59.9 -53.7 -33.7 -35.7 34.3 95.8 49 47 A F T 3 S+ 0 0 75 64,-0.1 65,-0.4 62,-0.0 2,-0.3 0.554 90.9 93.4 -70.8 -10.9 -33.5 36.3 93.3 50 48 A L < - 0 0 24 -3,-1.9 3,-0.1 1,-0.1 68,-0.1 -0.701 57.3-160.3-101.0 141.8 -32.4 33.1 91.5 51 49 A H S S- 0 0 110 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.730 83.2 -11.3 -79.2 -30.6 -33.8 31.3 88.5 52 50 A R - 0 0 79 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.958 66.8-160.3-163.3 164.6 -32.1 28.0 89.3 53 51 A Y - 0 0 67 -2,-0.3 2,-0.6 -3,-0.1 -9,-0.2 -0.978 35.7 -79.2-154.6 163.8 -29.5 26.7 91.7 54 52 A Y - 0 0 1 -11,-3.5 2,-0.9 -2,-0.3 -31,-0.0 -0.559 37.7-165.0 -71.3 111.8 -27.1 23.9 92.3 55 53 A Q > - 0 0 61 -2,-0.6 3,-1.3 1,-0.2 -10,-0.1 -0.823 6.4-176.3-101.5 94.6 -29.0 20.9 93.8 56 54 A R G > S+ 0 0 43 -2,-0.9 3,-2.3 1,-0.3 6,-0.2 0.828 75.8 67.6 -59.7 -36.6 -26.3 18.6 95.1 57 55 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.722 96.0 58.5 -57.9 -23.8 -28.7 15.8 96.2 58 56 A L G < S+ 0 0 95 -3,-1.3 2,-0.6 1,-0.1 -1,-0.3 0.356 91.3 87.1 -86.3 4.0 -29.4 15.2 92.5 59 57 A S X - 0 0 14 -3,-2.3 3,-0.6 1,-0.1 -36,-0.1 -0.916 48.6-174.3-120.0 115.2 -25.7 14.5 91.7 60 58 A S T 3 S+ 0 0 107 -36,-1.8 -1,-0.1 -2,-0.6 -4,-0.0 0.777 91.1 56.1 -70.0 -27.4 -24.1 11.0 92.0 61 59 A T T 3 S+ 0 0 34 -37,-0.4 -1,-0.2 25,-0.1 2,-0.1 0.564 81.2 114.8 -85.8 -7.5 -20.7 12.6 91.2 62 60 A Y < - 0 0 41 -3,-0.6 2,-0.4 -6,-0.2 23,-0.2 -0.394 43.7-171.6 -65.4 137.3 -20.8 15.1 94.0 63 61 A R E -H 84 0A 153 21,-2.0 21,-2.0 -2,-0.1 2,-0.2 -0.994 16.9-134.9-134.1 125.3 -18.2 14.7 96.8 64 62 A D E -H 83 0A 73 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.569 8.2-162.9 -82.8 139.6 -18.2 16.8 100.0 65 63 A L E - 0 0 75 17,-2.3 18,-0.2 -2,-0.2 -1,-0.1 0.344 31.6-131.5-103.1 2.4 -15.0 18.3 101.2 66 64 A R E + 0 0 225 16,-0.3 2,-0.3 1,-0.1 17,-0.1 0.891 68.8 104.7 47.6 54.6 -16.2 18.9 104.8 67 65 A K E - 0 0 103 15,-0.4 15,-2.5 2,-0.0 -2,-0.2 -0.946 59.5-132.5-161.0 142.9 -15.0 22.5 105.0 68 66 A G E -H 81 0A 52 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.512 10.1-152.7 -97.4 164.3 -16.6 26.0 104.8 69 67 A V E -H 80 0A 6 11,-2.0 11,-2.6 -2,-0.2 2,-0.5 -0.994 5.5-169.4-142.4 129.2 -15.8 29.1 102.9 70 68 A Y E -H 79 0A 128 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.969 3.9-178.4-124.9 114.1 -16.5 32.7 103.8 71 69 A V E -H 78 0A 14 7,-3.3 7,-1.9 -2,-0.5 2,-0.2 -0.844 10.3-171.4-116.2 93.1 -15.9 35.5 101.2 72 70 A P E -H 77 0A 78 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.563 2.6-172.7 -83.6 149.0 -16.7 39.0 102.5 73 71 A Y - 0 0 85 3,-2.5 -2,-0.0 -2,-0.2 0, 0.0 -0.753 41.4-104.7-121.7 173.8 -16.8 42.1 100.4 74 72 A T S S+ 0 0 147 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 0.963 124.0 42.5 -59.1 -50.5 -17.2 45.8 101.3 75 73 A Q S S- 0 0 130 34,-0.1 -1,-0.1 -3,-0.1 35,-0.1 0.989 132.7 -59.1 -58.7 -69.8 -20.8 45.6 100.1 76 74 A G - 0 0 13 33,-0.2 -3,-2.5 -5,-0.1 2,-0.3 -0.031 58.2-120.2-144.4-115.4 -21.8 42.2 101.5 77 75 A K E -HI 72 108A 31 31,-2.4 31,-3.0 -5,-0.3 2,-0.3 -0.958 2.3-125.5 174.7 167.6 -20.6 38.6 101.3 78 76 A W E -HI 71 107A 2 -7,-1.9 -7,-3.3 -2,-0.3 2,-0.4 -0.990 16.8-169.9-138.4 157.3 -21.1 34.9 100.4 79 77 A E E +HI 70 106A 76 27,-2.5 26,-2.6 -2,-0.3 27,-2.0 -0.999 17.9 150.2-144.5 134.5 -20.6 31.8 102.4 80 78 A G E -HI 69 104A 5 -11,-2.6 -11,-2.0 -2,-0.4 2,-0.5 -0.903 42.1 -89.6-155.7-174.8 -20.7 28.1 101.3 81 79 A E E -HI 68 103A 77 22,-2.1 22,-2.9 -2,-0.3 2,-0.3 -0.909 39.0-131.6-108.2 128.2 -19.8 24.5 101.5 82 80 A L E + I 0 102A 0 -15,-2.5 -17,-2.3 -2,-0.5 -15,-0.4 -0.615 42.8 135.7 -83.1 137.8 -16.8 23.2 99.5 83 81 A G E -HI 64 101A 0 18,-2.2 18,-2.6 -2,-0.3 2,-0.3 -0.848 42.1-115.9-156.0-171.5 -17.1 20.1 97.4 84 82 A T E +HI 63 100A 18 -21,-2.0 -21,-2.0 16,-0.3 2,-0.3 -0.995 33.5 155.3-140.8 146.7 -16.1 18.7 93.9 85 83 A D E - I 0 99A 0 14,-1.6 14,-2.1 -2,-0.3 2,-0.4 -0.936 47.2 -71.1-157.4 176.1 -18.2 17.6 91.0 86 84 A L E - I 0 98A 51 -2,-0.3 -63,-2.2 12,-0.2 2,-0.4 -0.647 48.1-169.2 -81.0 128.3 -18.2 17.2 87.2 87 85 A V E +DI 22 97A 3 10,-2.7 10,-2.1 -2,-0.4 2,-0.3 -0.969 9.9 173.4-126.2 132.7 -18.2 20.4 85.2 88 86 A S E -D 21 0A 26 -67,-2.5 -67,-2.7 -2,-0.4 8,-0.1 -0.935 26.0-142.5-129.4 158.0 -18.8 21.1 81.5 89 87 A I > - 0 0 9 4,-0.5 3,-1.3 6,-0.4 -69,-0.2 -0.902 12.3-158.9-118.8 98.9 -19.2 24.2 79.3 90 88 A P T 3 S+ 0 0 53 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.884 95.6 39.1 -42.9 -54.7 -21.8 23.4 76.6 91 89 A H T 3 S+ 0 0 96 -72,-0.4 -84,-0.1 -84,-0.1 -72,-0.1 -0.455 115.7 65.7 -95.9 59.0 -20.5 26.2 74.3 92 90 A G S < S- 0 0 7 -3,-1.3 2,-0.2 -2,-1.0 74,-0.0 -0.652 101.9 -32.6-148.7-156.2 -16.9 25.4 75.2 93 91 A P - 0 0 24 0, 0.0 2,-2.6 0, 0.0 -4,-0.5 -0.501 63.1-107.8 -77.7 144.6 -14.5 22.5 74.6 94 92 A N S S+ 0 0 170 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.0 -0.384 81.6 105.6 -70.1 69.5 -15.9 18.9 74.6 95 93 A V - 0 0 45 -2,-2.6 -6,-0.4 -6,-0.1 2,-0.4 -0.891 55.0-147.7-139.4 168.6 -14.5 17.9 77.9 96 94 A T - 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