==== 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 4B77 . 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 . 376 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 67.0 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 . 115 30.6 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 . 43 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 3 2 2 5 0 1 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 1 499 A G 0 0 54 0, 0.0 96,-0.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 51.2 -20.7 -3.0 -30.5 2 500 A S - 0 0 66 94,-0.1 5,-1.2 167,-0.0 168,-0.0 -0.368 360.0 -92.6 -95.5 178.3 -22.2 -1.9 -27.1 3 501 A F 0 0 63 3,-0.2 5,-1.0 4,-0.1 4,-0.1 0.799 360.0 360.0 -61.1 -35.0 -21.0 -2.6 -23.5 4 502 A V 0 0 134 2,-0.2 4,-1.1 3,-0.2 170,-0.0 0.864 360.0 360.0 -62.8 360.0 -23.0 -5.8 -22.8 5 ! 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 6 1 A E 0 0 132 0, 0.0 -3,-0.2 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -31.0 -19.8 -7.1 -26.5 7 2 A M > + 0 0 4 -5,-1.2 3,-1.1 -4,-0.1 161,-0.6 0.653 360.0 106.3 -82.4 -18.3 -17.1 -5.1 -24.7 8 3 A V T 3 S+ 0 0 44 -4,-1.1 159,-0.1 -5,-1.0 -4,-0.0 -0.360 88.6 11.1 -63.2 143.8 -17.0 -7.2 -21.5 9 4 A D T 3 S+ 0 0 121 149,-0.1 -1,-0.2 1,-0.1 158,-0.2 0.812 83.4 137.1 52.9 38.4 -13.9 -9.4 -21.1 10 5 A N < + 0 0 16 -3,-1.1 12,-0.6 84,-0.1 2,-0.3 0.368 50.7 77.9 -88.4 1.0 -12.2 -7.7 -24.0 11 6 A L E +AB 21 166A 4 155,-2.5 155,-1.3 10,-0.1 2,-0.3 -0.860 51.9 175.7-113.4 149.2 -8.8 -7.6 -22.2 12 7 A R E +AB 20 165A 155 8,-1.9 8,-3.0 -2,-0.3 2,-0.3 -0.885 9.4 157.9-134.4 169.2 -6.2 -10.3 -21.6 13 8 A G E -A 19 0A 11 151,-1.5 2,-0.4 -2,-0.3 6,-0.2 -0.990 37.1-114.6-171.0-178.9 -2.8 -10.3 -20.0 14 9 A K > - 0 0 103 4,-1.0 3,-2.5 -2,-0.3 4,-0.2 -0.989 54.3 -90.5-129.7 137.1 0.1 -12.0 -18.3 15 10 A S T 3 S+ 0 0 24 -2,-0.4 289,-0.1 1,-0.3 211,-0.0 -0.184 111.6 7.9 -50.6 131.1 0.9 -11.1 -14.7 16 11 A G T 3 S+ 0 0 29 1,-0.1 -1,-0.3 210,-0.1 210,-0.2 0.475 115.1 83.0 77.4 3.0 3.4 -8.2 -14.6 17 12 A Q S < S- 0 0 36 -3,-2.5 -2,-0.2 1,-0.3 98,-0.1 0.167 93.8-112.5-129.9 17.1 3.2 -7.6 -18.4 18 13 A G - 0 0 9 -4,-0.2 -4,-1.0 -5,-0.1 2,-0.4 -0.059 30.6 -73.6 85.2 179.3 0.2 -5.5 -18.7 19 14 A Y E -A 13 0A 10 17,-0.4 17,-2.9 204,-0.3 2,-0.3 -0.966 44.4-163.3-120.4 134.7 -3.3 -5.8 -20.1 20 15 A Y E -AC 12 35A 10 -8,-3.0 -8,-1.9 -2,-0.4 2,-0.3 -0.866 10.1-156.5-124.5 154.4 -4.0 -5.8 -23.8 21 16 A V E -AC 11 34A 1 13,-2.7 13,-2.5 -2,-0.3 2,-0.3 -0.933 30.0-109.0-119.8 146.9 -6.9 -5.3 -26.2 22 17 A E E + C 0 33A 68 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.566 45.5 167.5 -74.0 134.3 -7.3 -6.6 -29.8 23 18 A M E - C 0 32A 0 9,-2.9 9,-2.6 -2,-0.3 2,-0.4 -0.914 25.7-137.7-135.2 165.1 -7.2 -3.8 -32.4 24 19 A T E -DC 91 31A 16 67,-2.6 67,-2.0 -2,-0.3 2,-0.4 -0.991 14.0-171.0-124.5 147.8 -6.9 -3.6 -36.2 25 20 A V E > +DC 90 30A 1 5,-1.8 5,-1.7 -2,-0.4 65,-0.2 -0.990 48.5 6.5-130.4 137.7 -4.7 -1.2 -38.2 26 21 A G T 5S- 0 0 4 63,-2.3 4,-0.1 -2,-0.4 36,-0.1 -0.128 88.4 -48.1 87.0-177.1 -4.8 -0.6 -41.9 27 22 A S T 5S+ 0 0 38 2,-0.2 36,-2.3 1,-0.1 37,-0.3 -0.980 128.9 31.1-150.4 108.6 -6.8 -1.8 -44.9 28 23 A P T 5S- 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.634 121.1-102.1 -59.3 155.8 -7.4 -4.7 -45.1 29 24 A P T 5 - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.219 30.2-154.5 -57.8 133.8 -7.3 -4.9 -41.3 30 25 A Q E < -C 25 0A 29 -5,-1.7 -5,-1.8 -4,-0.1 2,-0.3 -0.970 19.0-133.0-108.2 123.7 -4.2 -6.3 -39.6 31 26 A T E +C 24 0A 52 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.614 32.5 168.9 -82.2 131.1 -5.0 -7.7 -36.2 32 27 A L E -C 23 0A 4 -9,-2.6 -9,-2.9 -2,-0.3 2,-0.4 -0.992 34.3-128.0-138.3 145.0 -2.7 -6.7 -33.3 33 28 A N E -C 22 0A 15 -2,-0.3 88,-3.0 -11,-0.2 89,-0.6 -0.823 33.0-165.7 -88.8 134.6 -2.8 -7.1 -29.5 34 29 A I E -Ce 21 122A 0 -13,-2.5 -13,-2.7 -2,-0.4 89,-0.2 -0.984 19.5-123.3-135.5 120.9 -2.2 -3.6 -27.9 35 30 A L E -Ce 20 123A 10 87,-2.6 89,-3.5 -2,-0.4 2,-0.7 -0.417 24.7-129.2 -62.4 133.1 -1.4 -2.8 -24.3 36 31 A V E - e 0 124A 2 -17,-2.9 2,-0.5 87,-0.2 -17,-0.4 -0.797 33.6-177.1 -91.4 111.6 -3.9 -0.4 -22.7 37 32 A D E > + e 0 125A 15 87,-2.5 89,-2.8 -2,-0.7 3,-1.0 -0.872 27.6 175.5-123.2 101.5 -1.7 2.3 -21.2 38 33 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.5 1,-0.2 183,-0.2 0.522 81.5 69.6 -76.3 -1.6 -3.2 5.2 -19.2 39 34 A G T 3 S+ 0 0 12 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.236 102.7 35.2 -98.8 6.7 0.5 6.3 -18.5 40 35 A S < - 0 0 32 -3,-1.0 87,-2.9 84,-0.1 92,-0.1 -0.921 61.6-143.6-152.1 178.6 1.3 7.5 -22.1 41 36 A S + 0 0 1 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.248 62.0 97.4-139.4 9.4 -0.4 9.1 -25.1 42 37 A N - 0 0 13 98,-0.1 83,-2.2 89,-0.1 2,-0.8 -0.840 61.6-140.3 -97.3 143.7 1.0 7.6 -28.2 43 38 A F E +F 124 0A 7 -2,-0.4 62,-2.7 81,-0.2 2,-0.4 -0.911 40.2 171.6 -91.4 106.6 -0.5 4.8 -30.4 44 39 A A E -Fg 123 105A 3 79,-2.0 79,-2.8 -2,-0.8 2,-0.4 -0.985 9.2-177.1-128.8 119.4 2.8 3.0 -31.1 45 40 A V E -Fg 122 106A 0 60,-2.6 62,-2.7 -2,-0.4 77,-0.3 -0.951 35.3-103.5-127.5 136.5 3.0 -0.3 -32.8 46 41 A G E + g 0 107A 0 75,-3.1 11,-3.0 -2,-0.4 62,-0.1 -0.395 40.1 172.9 -52.4 127.8 5.8 -2.7 -33.7 47 42 A A + 0 0 13 60,-2.5 12,-0.3 9,-0.2 -1,-0.1 0.090 56.7 46.8-133.4 21.6 6.3 -2.3 -37.5 48 43 A A S S- 0 0 29 59,-0.2 9,-0.1 7,-0.1 -1,-0.1 -0.952 97.4 -78.0-154.2 155.1 9.5 -4.4 -38.2 49 44 A P + 0 0 95 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.152 50.4 171.6 -52.9 151.9 10.5 -7.9 -37.1 50 45 A H > - 0 0 56 3,-0.3 3,-1.5 -4,-0.1 59,-0.0 -0.943 44.8-112.5-162.4 146.1 11.8 -8.4 -33.6 51 46 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.814 117.2 43.6 -51.6 -33.5 12.7 -11.5 -31.5 52 47 A F T 3 S+ 0 0 81 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.455 93.0 94.7 -97.1 -0.8 9.7 -10.9 -29.2 53 48 A L < - 0 0 20 -3,-1.5 -3,-0.3 1,-0.2 3,-0.1 -0.821 48.7-169.0 -96.3 121.4 7.0 -10.0 -31.7 54 49 A H S S- 0 0 134 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.880 81.7 -6.0 -65.0 -39.9 4.6 -12.7 -33.0 55 50 A R - 0 0 90 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.911 68.1-158.6-150.1 168.2 3.4 -10.3 -35.6 56 51 A Y - 0 0 69 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.990 34.2 -85.5-154.3 159.7 3.9 -6.6 -36.7 57 52 A Y - 0 0 0 -11,-3.0 2,-0.8 -2,-0.3 -31,-0.1 -0.519 35.4-158.5 -70.0 123.7 2.3 -3.8 -38.6 58 53 A Q > - 0 0 63 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 -0.841 6.8-172.2-106.9 97.7 3.2 -4.0 -42.3 59 54 A R G > S+ 0 0 62 -2,-0.8 3,-1.4 1,-0.3 6,-0.3 0.824 80.6 61.9 -62.3 -31.3 2.7 -0.5 -43.7 60 55 A Q G 3 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.810 101.4 53.7 -64.0 -30.6 3.3 -1.6 -47.3 61 56 A L G < S+ 0 0 103 -3,-1.2 2,-0.7 1,-0.1 -1,-0.3 0.490 91.3 88.4 -84.2 -5.9 0.3 -4.0 -47.2 62 57 A S X - 0 0 7 -3,-1.4 3,-1.0 -4,-0.4 -36,-0.1 -0.860 57.3-166.6 -99.6 114.0 -2.0 -1.2 -46.0 63 58 A S T 3 S+ 0 0 106 -36,-2.3 -1,-0.1 -2,-0.7 -4,-0.0 0.774 88.7 50.1 -61.1 -30.2 -3.7 0.7 -48.9 64 59 A T T 3 S+ 0 0 34 -37,-0.3 -1,-0.2 25,-0.1 23,-0.1 0.483 79.2 121.8 -98.0 -4.0 -4.9 3.5 -46.5 65 60 A Y < - 0 0 44 -3,-1.0 2,-0.4 -6,-0.3 23,-0.2 -0.304 43.2-162.2 -55.9 135.5 -1.6 4.2 -44.7 66 61 A R E -H 87 0A 151 21,-2.9 21,-2.3 -2,-0.0 2,-0.2 -0.978 11.7-139.2-124.3 122.9 -0.3 7.8 -44.9 67 62 A D E -H 86 0A 64 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.550 6.9-162.6 -74.3 132.4 3.3 8.7 -44.1 68 63 A L E - 0 0 60 17,-2.4 18,-0.2 -2,-0.2 -1,-0.1 0.408 32.5-129.1 -93.4 -2.4 3.7 11.9 -42.1 69 64 A R E S+ 0 0 219 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.924 71.3 111.4 56.9 48.3 7.4 12.2 -43.0 70 65 A K E - 0 0 96 15,-0.5 15,-2.8 2,-0.0 -2,-0.2 -0.946 54.6-146.9-155.8 127.3 8.5 12.7 -39.4 71 66 A G E -H 84 0A 41 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.420 6.9-153.6 -90.9 168.1 10.4 10.4 -37.1 72 67 A V E -H 83 0A 6 11,-2.1 11,-2.4 -2,-0.1 2,-0.4 -0.988 5.9-169.0-144.8 136.6 10.0 9.9 -33.3 73 68 A Y E -H 82 0A 122 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.989 6.2-175.4-132.3 120.0 12.7 8.8 -30.8 74 69 A V E +H 81 0A 11 7,-3.4 7,-1.6 -2,-0.4 2,-0.4 -0.820 8.0 176.7-129.2 91.3 11.7 7.9 -27.2 75 70 A P E +H 80 0A 60 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.789 18.1 167.5 -82.2 133.9 14.2 7.0 -24.6 76 71 A Y E > -H 79 0A 89 3,-2.9 3,-0.6 -2,-0.4 -2,-0.0 -0.811 49.5 -79.7-139.4 179.7 12.5 6.4 -21.2 77 72 A T T 3 S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.926 123.8 32.2 -54.6 -60.2 13.7 4.9 -17.9 78 73 A Q T 3 S- 0 0 139 -3,-0.1 2,-0.3 35,-0.0 -1,-0.2 0.606 129.4 -43.2 -73.7 -14.2 13.4 1.2 -18.6 79 74 A G E < -H 76 0A 7 -3,-0.6 -3,-2.9 2,-0.0 2,-0.3 -0.909 57.4-101.8 178.2-158.6 14.2 1.3 -22.4 80 75 A K E -HI 75 111A 79 31,-2.4 31,-3.3 -2,-0.3 2,-0.3 -0.993 16.0-172.1-158.4 158.7 13.7 3.0 -25.7 81 76 A W E -HI 74 110A 15 -7,-1.6 -7,-3.4 -2,-0.3 2,-0.3 -0.967 3.8-167.7-147.5 163.5 12.0 2.9 -29.1 82 77 A E E +HI 73 109A 82 27,-2.4 26,-1.9 -2,-0.3 27,-1.7 -0.980 20.5 137.9-149.3 150.2 12.1 4.8 -32.3 83 78 A G E -HI 72 107A 8 -11,-2.4 -11,-2.1 -2,-0.3 2,-0.4 -0.952 44.1 -78.8-171.1-166.0 9.8 4.9 -35.3 84 79 A E E -HI 71 106A 47 22,-2.0 22,-3.4 -2,-0.3 2,-0.2 -0.947 35.9-129.0-122.3 136.1 8.0 6.8 -38.1 85 80 A L E + I 0 105A 5 -15,-2.8 -17,-2.4 -2,-0.4 -15,-0.5 -0.569 42.5 134.7 -84.6 141.7 4.8 8.7 -37.7 86 81 A G E -HI 67 104A 0 18,-1.8 18,-2.9 -19,-0.3 2,-0.3 -0.912 42.2-114.8-160.3-173.8 1.9 8.2 -40.1 87 82 A T E +HI 66 103A 21 -21,-2.3 -21,-2.9 -2,-0.3 2,-0.3 -0.927 34.0 153.5-131.7 158.8 -1.9 7.8 -40.0 88 83 A D E - 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