==== 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 4B70 . 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) . 16552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 67.7 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 . 114 30.6 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 . 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 . 42 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.3 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 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 . 4 3 2 3 3 4 0 0 1 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 1 502 A V > 0 0 142 0, 0.0 3,-1.1 0, 0.0 168,-0.0 0.000 360.0 360.0 360.0 -32.0 -22.0 -6.6 -22.8 2 1 A E T 3 + 0 0 161 1,-0.3 0, 0.0 89,-0.0 0, 0.0 0.648 360.0 51.5 -67.2 -15.2 -20.1 -7.2 -26.1 3 2 A M T > S+ 0 0 40 159,-0.0 3,-1.2 162,-0.0 160,-0.6 0.561 83.7 111.7 -95.3 -16.0 -17.1 -5.4 -24.7 4 3 A V T < S+ 0 0 42 -3,-1.1 158,-0.1 1,-0.2 168,-0.0 -0.366 84.8 13.1 -62.8 140.3 -17.0 -7.5 -21.4 5 4 A D T 3 S+ 0 0 124 1,-0.1 -1,-0.2 -2,-0.0 157,-0.2 0.741 82.7 135.3 63.4 31.8 -13.9 -9.8 -21.2 6 5 A N < + 0 0 17 -3,-1.2 12,-0.6 84,-0.1 2,-0.3 0.432 51.0 80.3 -86.9 0.3 -12.1 -8.0 -24.1 7 6 A L E -AB 17 161A 4 154,-2.4 154,-1.2 10,-0.1 2,-0.3 -0.850 53.2-177.5-109.2 152.8 -8.8 -7.8 -22.2 8 7 A R E +A 16 0A 158 8,-2.0 8,-3.0 -2,-0.3 2,-0.2 -0.854 38.6 57.0-134.1 164.2 -6.0 -10.4 -21.6 9 8 A G E -A 15 0A 28 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.646 65.1 -97.6 113.8-167.0 -2.8 -10.4 -19.7 10 9 A K E >> -A 14 0A 99 4,-1.2 4,-2.0 -2,-0.2 3,-1.0 -0.956 36.1 -95.7-151.4 162.2 -1.6 -9.8 -16.2 11 10 A S T 34 S+ 0 0 9 -2,-0.3 313,-0.2 1,-0.2 314,-0.1 0.798 117.4 58.1 -51.4 -39.2 -0.1 -7.0 -14.1 12 11 A G T 34 S+ 0 0 25 1,-0.2 -1,-0.2 285,-0.2 209,-0.1 0.764 123.7 17.9 -65.0 -33.1 3.5 -8.2 -14.7 13 12 A Q T <4 S- 0 0 63 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.421 117.0-104.0-120.6 -2.7 3.5 -8.1 -18.5 14 13 A G E < -A 10 0A 9 -4,-2.0 -4,-1.2 17,-0.1 2,-0.4 -0.008 27.1 -85.2 98.0 161.1 0.5 -5.8 -19.1 15 14 A Y E -A 9 0A 3 17,-0.4 17,-2.9 203,-0.3 2,-0.3 -0.860 45.6-164.0-104.9 135.6 -3.2 -6.0 -20.2 16 15 A Y E -AC 8 31A 12 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.3 -0.900 14.0-154.9-130.7 154.6 -3.9 -6.0 -23.8 17 16 A V E -AC 7 30A 1 13,-2.6 13,-3.0 -2,-0.3 2,-0.4 -0.899 28.8-112.0-120.3 148.2 -6.8 -5.5 -26.2 18 17 A E E + C 0 29A 67 -12,-0.6 72,-0.5 -2,-0.3 2,-0.3 -0.669 43.8 169.3 -81.4 133.7 -7.3 -6.8 -29.7 19 18 A M E - C 0 28A 1 9,-2.9 9,-2.8 -2,-0.4 2,-0.4 -0.922 25.3-137.7-136.0 164.0 -7.2 -4.0 -32.4 20 19 A T E -DC 87 27A 19 67,-2.8 67,-2.1 -2,-0.3 2,-0.4 -0.975 15.8-170.0-125.2 138.9 -7.0 -3.9 -36.2 21 20 A V E > +DC 86 26A 2 5,-2.1 5,-2.0 -2,-0.4 65,-0.2 -0.986 47.1 4.9-125.3 143.3 -4.8 -1.5 -38.2 22 21 A G T 5S- 0 0 5 63,-2.0 4,-0.1 -2,-0.4 36,-0.1 -0.045 89.9 -48.0 83.3 176.5 -4.9 -0.9 -41.9 23 22 A S T 5S+ 0 0 26 2,-0.1 36,-1.9 1,-0.1 37,-0.3 -0.988 130.1 31.9-131.9 119.5 -7.0 -2.0 -44.9 24 23 A P T 5S- 0 0 98 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.636 122.1-101.4 -61.4 157.0 -7.5 -5.0 -45.1 25 24 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.253 30.6-153.0 -59.1 135.3 -7.4 -5.1 -41.2 26 25 A Q E < -C 21 0A 28 -5,-2.0 -5,-2.1 -4,-0.1 2,-0.3 -0.965 18.3-135.0-109.0 118.5 -4.2 -6.4 -39.6 27 26 A T E +C 20 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.607 32.0 167.6 -79.7 132.5 -5.0 -7.9 -36.2 28 27 A L E -C 19 0A 3 -9,-2.8 -9,-2.9 -2,-0.3 2,-0.5 -0.975 36.0-125.2-140.9 152.2 -2.6 -6.9 -33.3 29 28 A N E -C 18 0A 16 -2,-0.3 88,-3.2 -11,-0.2 89,-0.7 -0.889 34.2-163.4 -96.8 129.2 -2.6 -7.3 -29.5 30 29 A I E -Ce 17 118A 0 -13,-3.0 -13,-2.6 -2,-0.5 89,-0.3 -0.975 20.4-120.4-127.6 125.1 -2.1 -3.8 -27.9 31 30 A L E -Ce 16 119A 12 87,-3.0 89,-3.3 -2,-0.4 2,-0.7 -0.386 25.5-132.0 -58.5 128.4 -1.1 -2.9 -24.4 32 31 A V E + e 0 120A 1 -17,-2.9 2,-0.5 87,-0.2 -17,-0.4 -0.817 35.1 179.8 -86.4 108.9 -3.9 -0.7 -22.7 33 32 A D E > + e 0 121A 14 87,-2.5 89,-3.0 -2,-0.7 3,-0.9 -0.885 29.1 174.6-124.1 106.5 -1.8 2.1 -21.2 34 33 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.5 1,-0.2 182,-0.2 0.448 81.6 68.4 -83.6 0.8 -3.3 5.0 -19.2 35 34 A G T 3 S+ 0 0 12 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.266 101.3 39.0 -99.9 3.9 0.3 6.2 -18.5 36 35 A S < - 0 0 23 -3,-0.9 87,-3.0 84,-0.2 92,-0.1 -0.925 61.6-144.8-146.2 174.4 1.3 7.3 -22.0 37 36 A S + 0 0 2 90,-0.4 2,-0.3 -2,-0.3 100,-0.2 0.325 62.6 96.1-132.1 7.1 -0.3 9.0 -25.0 38 37 A N - 0 0 15 89,-0.1 83,-1.3 98,-0.1 2,-0.8 -0.808 60.5-142.4-101.3 145.6 1.1 7.4 -28.2 39 38 A F E +F 120 0A 8 -2,-0.3 62,-2.6 81,-0.2 2,-0.4 -0.916 39.4 170.6 -98.6 103.4 -0.4 4.7 -30.3 40 39 A A E -Fg 119 101A 2 79,-2.3 79,-3.0 -2,-0.8 2,-0.4 -0.991 11.6-176.3-125.9 130.8 2.8 2.8 -31.2 41 40 A V E -Fg 118 102A 0 60,-2.5 62,-2.8 -2,-0.4 77,-0.3 -0.984 36.2-100.7-133.4 144.1 3.0 -0.6 -32.9 42 41 A G E + g 0 103A 0 75,-3.4 11,-3.0 -2,-0.4 62,-0.1 -0.301 40.7 173.5 -52.8 127.8 5.8 -3.0 -33.9 43 42 A A + 0 0 12 60,-2.3 12,-0.2 9,-0.2 -1,-0.1 0.194 58.2 41.8-130.6 16.8 6.3 -2.4 -37.6 44 43 A A S S- 0 0 29 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.957 97.8 -78.0-155.1 154.4 9.4 -4.6 -38.4 45 44 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.175 48.7 172.2 -59.3 154.2 10.4 -8.1 -37.3 46 45 A H > - 0 0 54 3,-0.4 3,-1.4 -4,-0.1 59,-0.0 -0.954 45.5-112.0-155.6 148.3 11.9 -8.6 -33.8 47 46 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.814 119.2 45.6 -56.8 -27.4 12.9 -11.8 -31.9 48 47 A F T 3 S+ 0 0 90 64,-0.1 2,-0.5 62,-0.0 65,-0.3 0.434 93.1 94.6 -96.4 -0.6 10.0 -11.0 -29.4 49 48 A L < - 0 0 22 -3,-1.4 -3,-0.4 1,-0.1 3,-0.1 -0.851 48.3-170.0 -99.3 125.1 7.2 -10.2 -31.9 50 49 A H S S- 0 0 136 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.779 82.1 -9.6 -70.3 -35.8 4.7 -12.8 -33.1 51 50 A R - 0 0 92 -7,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.939 67.0-157.5-155.5 170.3 3.5 -10.3 -35.8 52 51 A Y - 0 0 70 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.980 35.7 -82.9-155.3 160.5 3.9 -6.7 -36.8 53 52 A Y - 0 0 0 -11,-3.0 2,-0.7 -2,-0.3 -31,-0.1 -0.529 36.2-158.8 -70.2 124.6 2.2 -3.9 -38.7 54 53 A Q > - 0 0 63 -2,-0.3 3,-1.3 1,-0.2 4,-0.1 -0.882 8.8-175.3-111.4 92.2 3.0 -4.2 -42.4 55 54 A R G > S+ 0 0 58 -2,-0.7 3,-1.7 1,-0.3 6,-0.3 0.787 79.7 62.5 -57.8 -36.9 2.4 -0.8 -43.9 56 55 A Q G 3 S+ 0 0 145 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.693 101.4 55.0 -63.8 -22.4 3.0 -1.8 -47.5 57 56 A L G < S+ 0 0 95 -3,-1.3 2,-0.6 1,-0.1 -1,-0.3 0.432 93.8 82.3 -89.6 -3.1 0.1 -4.2 -47.2 58 57 A S X - 0 0 8 -3,-1.7 3,-1.0 -4,-0.1 -1,-0.1 -0.912 55.7-170.7-108.6 116.0 -2.3 -1.4 -46.1 59 58 A S T 3 S+ 0 0 108 -36,-1.9 -1,-0.1 -2,-0.6 -3,-0.0 0.595 87.0 56.9 -77.3 -8.9 -3.8 0.7 -48.9 60 59 A T T 3 S+ 0 0 37 -37,-0.3 -1,-0.2 -36,-0.1 -38,-0.1 0.465 79.6 117.9-102.3 -1.3 -5.2 3.2 -46.5 61 60 A Y < - 0 0 45 -3,-1.0 2,-0.4 -6,-0.3 23,-0.2 -0.348 44.6-165.8 -65.6 140.0 -1.8 4.1 -44.8 62 61 A R E -H 83 0A 147 21,-2.4 21,-2.3 -2,-0.1 2,-0.3 -0.986 14.7-138.5-129.0 120.6 -0.5 7.6 -45.1 63 62 A D E -H 82 0A 65 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.627 6.1-160.5 -75.7 132.5 3.1 8.4 -44.3 64 63 A L E - 0 0 62 17,-2.4 18,-0.2 -2,-0.3 -1,-0.1 0.463 31.3-130.2 -91.9 -2.9 3.5 11.7 -42.2 65 64 A R E S+ 0 0 216 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.922 70.0 113.8 54.3 47.4 7.2 12.0 -43.2 66 65 A K E -H 81 0A 129 15,-0.5 15,-3.0 2,-0.0 -2,-0.2 -0.953 55.6-143.3-150.0 128.9 8.2 12.5 -39.6 67 66 A G E -H 80 0A 40 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.433 9.0-156.0 -88.7 163.2 10.3 10.3 -37.3 68 67 A V E -H 79 0A 8 11,-2.1 11,-2.7 -2,-0.1 2,-0.4 -0.991 4.1-164.9-143.0 134.6 9.8 9.8 -33.5 69 68 A Y E -H 78 0A 103 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.994 7.8-173.7-123.2 125.5 12.3 8.7 -30.9 70 69 A V E -H 77 0A 8 7,-3.2 7,-1.7 -2,-0.4 2,-0.3 -0.838 1.4-176.3-128.7 94.3 11.0 7.5 -27.5 71 70 A P E -H 76 0A 66 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.709 4.5-175.7 -87.9 142.3 13.5 6.7 -24.7 72 71 A Y E > -H 75 0A 100 3,-3.1 3,-0.7 -2,-0.3 -2,-0.0 -0.638 44.2 -92.6-118.0-178.7 12.2 5.3 -21.4 73 72 A T T 3 S+ 0 0 137 1,-0.2 2,-0.2 -2,-0.2 3,-0.0 0.930 122.9 22.2 -63.3 -48.0 14.1 4.5 -18.1 74 73 A Q T 3 S- 0 0 164 34,-0.1 -1,-0.2 1,-0.0 2,-0.2 -0.517 130.9 -1.3-122.3 63.7 14.8 0.9 -19.1 75 74 A G E < -H 72 0A 9 -3,-0.7 -3,-3.1 -2,-0.2 2,-0.3 -0.717 57.6-146.3 141.5 168.8 14.4 0.8 -22.9 76 75 A K E -HI 71 107A 65 31,-2.6 31,-3.0 -5,-0.2 2,-0.3 -0.994 1.6-157.7-162.5 160.8 13.7 2.7 -26.1 77 76 A W E -HI 70 106A 2 -7,-1.7 -7,-3.2 -2,-0.3 2,-0.3 -0.983 4.6-156.2-144.6 154.4 12.2 2.7 -29.6 78 77 A E E +HI 69 105A 88 27,-2.9 26,-2.2 -2,-0.3 27,-1.7 -0.954 28.7 147.5-123.6 147.9 12.5 4.7 -32.8 79 78 A G E -HI 68 103A 8 -11,-2.7 -11,-2.1 -2,-0.3 2,-0.4 -0.924 41.3 -95.9-164.2-174.3 9.8 4.9 -35.5 80 79 A E E -HI 67 102A 48 22,-2.0 22,-3.2 -2,-0.3 2,-0.3 -0.976 32.5-130.9-119.3 135.6 7.9 6.7 -38.3 81 80 A L E +HI 66 101A 5 -15,-3.0 -17,-2.4 -2,-0.4 -15,-0.5 -0.596 41.2 138.3 -88.5 143.0 4.7 8.6 -37.9 82 81 A G E -HI 63 100A 0 18,-1.5 18,-3.2 -2,-0.3 2,-0.3 -0.907 41.4-116.3-163.1 178.0 1.7 8.0 -40.2 83 82 A T E +HI 62 99A 20 -21,-2.3 -21,-2.4 -2,-0.3 2,-0.3 -0.935 34.1 155.5-128.0 155.5 -2.0 7.6 -40.1 84 83 A D E - I 0 98A 0 14,-1.7 14,-2.6 -2,-0.3 2,-0.4 -0.951 48.0 -72.5-163.7 173.9 -4.3 4.7 -40.9 85 84 A L E - I 0 97A 51 -2,-0.3 -63,-2.0 12,-0.2 2,-0.4 -0.656 48.6-171.8 -80.1 134.1 -7.7 3.1 -40.2 86 85 A V E +DI 21 96A 2 10,-3.4 10,-2.4 -2,-0.4 2,-0.3 -0.967 8.6 175.1-128.8 142.5 -8.0 1.6 -36.7 87 86 A S E -DI 20 95A 24 -67,-2.1 -67,-2.8 -2,-0.4 8,-0.1 -0.971 27.0-140.7-142.8 155.3 -10.8 -0.5 -35.1 88 87 A I > - 0 0 5 6,-0.6 3,-2.2 4,-0.5 6,-0.2 -0.947 15.4-157.5-117.3 99.7 -11.3 -2.4 -31.8 89 88 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.825 94.9 34.5 -49.0 -38.1 -13.1 -5.7 -32.7 90 89 A H T 3 S+ 0 0 91 -72,-0.5 -84,-0.1 -84,-0.1 3,-0.1 -0.207 116.5 68.3-110.6 39.8 -14.5 -6.1 -29.1 91 90 A G S < S- 0 0 15 -3,-2.2 73,-0.1 1,-0.3 -89,-0.0 -0.333 102.7 -22.1-129.0-150.1 -14.9 -2.4 -28.6 92 91 A P - 0 0 13 0, 0.0 2,-2.1 0, 0.0 -4,-0.5 -0.345 68.1-111.3 -64.7 146.4 -17.2 0.3 -30.0 93 92 A N S S+ 0 0 174 -3,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.532 83.0 103.6 -80.2 71.5 -18.7 -0.7 -33.5 94 93 A V - 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