==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-07 2OHQ . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.PATEL . 377 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 67.6 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 . 109 28.9 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 . 44 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.3 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 . 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 . 2 3 5 1 3 4 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 98 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -14.0 66.1 61.2 -15.9 2 0 A V G > + 0 0 127 1,-0.3 3,-0.7 2,-0.2 171,-0.0 0.790 360.0 61.2 -62.1 -28.9 69.1 60.3 -18.0 3 1 A E G 3 S+ 0 0 99 1,-0.2 -1,-0.3 89,-0.0 0, 0.0 0.783 105.3 48.4 -63.5 -27.9 71.2 62.4 -15.5 4 2 A M G X S+ 0 0 6 -3,-1.0 3,-1.3 165,-0.1 163,-0.7 0.497 82.9 114.5 -94.5 -5.4 70.0 60.0 -12.8 5 3 A V T < S+ 0 0 56 -3,-0.7 161,-0.1 -4,-0.5 -3,-0.0 -0.469 87.6 8.3 -72.2 138.2 70.8 56.7 -14.6 6 4 A D T 3 S+ 0 0 105 -2,-0.2 -1,-0.3 149,-0.1 160,-0.2 0.785 84.8 137.9 63.5 30.7 73.6 54.7 -12.9 7 5 A N < + 0 0 14 -3,-1.3 12,-0.6 84,-0.1 2,-0.4 0.407 50.4 80.0 -86.9 4.9 73.6 57.1 -9.9 8 6 A L E +AB 18 165A 0 157,-2.4 157,-1.2 10,-0.1 2,-0.3 -0.867 52.8 174.5-112.8 149.1 73.9 54.2 -7.4 9 7 A R E +AB 17 164A 163 8,-2.1 8,-3.1 -2,-0.4 2,-0.3 -0.899 9.2 143.0-140.2 167.2 76.9 52.2 -6.3 10 8 A G E -AB 16 163A 2 153,-1.4 153,-1.5 -2,-0.3 2,-0.3 -0.978 39.8-109.0-174.8-173.0 77.6 49.5 -3.8 11 9 A K E > - B 0 162A 88 4,-0.8 3,-2.2 -2,-0.3 4,-0.3 -0.973 54.5 -83.5-136.4 148.4 79.4 46.4 -2.7 12 10 A S T 3 S+ 0 0 40 149,-1.7 291,-0.1 -2,-0.3 213,-0.0 -0.144 113.4 6.5 -56.8 147.5 77.6 43.0 -2.3 13 11 A G T 3 S+ 0 0 33 1,-0.1 -1,-0.3 212,-0.1 212,-0.1 0.290 116.3 84.5 63.5 -6.1 75.9 42.5 1.1 14 12 A Q S < S- 0 0 41 -3,-2.2 -2,-0.2 1,-0.2 -1,-0.1 0.289 92.3-114.1-112.7 3.7 76.8 46.2 2.0 15 13 A G - 0 0 20 -4,-0.3 -4,-0.8 17,-0.1 2,-0.4 0.082 27.0 -76.7 89.1 168.7 73.9 48.1 0.4 16 14 A Y E -A 10 0A 10 17,-0.4 17,-3.1 206,-0.4 2,-0.3 -0.888 45.1-167.7-110.8 133.6 73.4 50.6 -2.4 17 15 A Y E -AC 9 32A 26 -8,-3.1 -8,-2.1 -2,-0.4 2,-0.3 -0.889 11.7-155.0-126.0 153.6 74.3 54.3 -1.9 18 16 A V E -AC 8 31A 2 13,-2.8 13,-3.0 -2,-0.3 2,-0.3 -0.897 29.3-109.7-119.7 147.0 73.7 57.6 -3.7 19 17 A E E + C 0 30A 64 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.644 43.1 172.2 -74.2 134.6 75.9 60.7 -3.6 20 18 A M E - C 0 29A 0 9,-2.8 9,-2.7 -2,-0.3 2,-0.4 -0.936 23.9-140.1-134.5 160.1 74.3 63.6 -1.7 21 19 A T E -DC 88 28A 18 67,-2.2 67,-2.1 -2,-0.3 2,-0.3 -0.979 15.9-166.6-119.9 142.5 75.5 67.0 -0.5 22 20 A V E > -DC 87 27A 0 5,-2.4 5,-2.4 -2,-0.4 65,-0.2 -0.964 46.1 -3.2-125.4 143.1 74.6 68.5 2.8 23 21 A G T 5S- 0 0 6 63,-2.3 4,-0.1 -2,-0.3 36,-0.1 0.072 91.0 -41.8 74.8 176.9 75.0 72.2 4.0 24 22 A S T 5S+ 0 0 30 2,-0.2 36,-2.4 1,-0.1 37,-0.3 -0.987 129.8 31.2-131.2 120.7 76.5 75.4 2.5 25 23 A P T 5S- 0 0 93 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 0.589 119.5-101.7 -65.8 160.6 79.0 75.1 1.0 26 24 A P T 5 - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.305 30.6-158.7 -63.4 128.6 78.1 71.6 -0.0 27 25 A Q E < -C 22 0A 25 -5,-2.4 -5,-2.4 -4,-0.1 2,-0.4 -0.931 17.4-139.1-100.3 121.9 79.6 68.7 1.8 28 26 A T E +C 21 0A 66 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.646 28.5 167.3 -82.5 133.5 79.5 65.5 -0.3 29 27 A L E -C 20 0A 2 -9,-2.7 -9,-2.8 -2,-0.4 2,-0.5 -0.979 36.1-122.0-139.3 149.5 78.6 62.2 1.3 30 28 A N E -C 19 0A 21 -2,-0.3 88,-2.9 -11,-0.2 89,-0.7 -0.852 35.7-163.2 -92.4 127.1 77.6 58.7 0.1 31 29 A I E -Ce 18 119A 0 -13,-3.0 -13,-2.8 -2,-0.5 89,-0.2 -0.958 18.2-120.7-125.9 123.6 74.3 57.8 1.5 32 30 A L E -Ce 17 120A 18 87,-2.9 89,-3.3 -2,-0.4 2,-0.7 -0.445 24.2-131.1 -61.6 129.2 72.6 54.4 1.8 33 31 A V E + e 0 121A 1 -17,-3.1 2,-0.5 -2,-0.2 -17,-0.4 -0.721 33.8 175.9 -85.5 114.9 69.3 54.1 0.0 34 32 A D E > + e 0 122A 18 87,-2.1 89,-2.5 -2,-0.7 3,-1.0 -0.869 25.7 175.5-130.1 102.6 66.9 52.6 2.5 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.6 1,-0.2 185,-0.2 0.451 81.5 69.8 -83.3 2.7 63.1 52.1 1.8 36 34 A G T 3 S+ 0 0 12 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.318 101.1 39.2-101.6 7.4 62.9 50.3 5.1 37 35 A S < - 0 0 28 -3,-1.0 87,-2.8 84,-0.2 86,-0.2 -0.915 62.6-143.9-146.9 175.1 63.4 53.3 7.4 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.365 62.5 94.8-131.1 6.3 62.4 57.0 7.5 39 37 A N - 0 0 14 89,-0.1 83,-1.0 98,-0.1 2,-0.8 -0.867 60.4-142.0-102.5 135.7 65.3 59.1 9.0 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.6 81,-0.2 2,-0.4 -0.891 38.8 170.8 -84.0 105.8 68.0 60.9 7.1 41 39 A A E -Fg 120 102A 0 79,-2.0 79,-3.5 -2,-0.8 2,-0.4 -0.985 8.7-178.1-125.3 131.7 71.0 60.1 9.4 42 40 A V E -Fg 119 103A 0 60,-2.7 62,-2.9 -2,-0.4 77,-0.3 -0.993 36.0 -97.3-136.2 139.0 74.6 60.9 8.7 43 41 A G E + g 0 104A 1 75,-3.1 11,-3.1 -2,-0.4 62,-0.1 -0.254 39.1 172.5 -43.2 125.5 78.0 60.4 10.3 44 42 A A + 0 0 15 60,-2.1 12,-0.2 9,-0.3 -1,-0.1 0.259 57.7 53.1-126.4 10.5 78.9 63.7 12.1 45 43 A A S S- 0 0 36 59,-0.3 2,-2.4 7,-0.1 9,-0.1 -0.960 95.6 -91.5-145.9 155.8 82.1 62.6 13.9 46 44 A P + 0 0 93 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.307 47.7 172.8 -77.1 63.1 85.4 61.0 12.9 47 45 A H > - 0 0 60 -2,-2.4 3,-2.0 1,-0.1 59,-0.0 -0.456 41.7-120.7 -60.5 136.9 84.6 57.3 13.5 48 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.744 108.6 58.0 -64.5 -24.5 87.6 55.5 12.1 49 47 A F T 3 S+ 0 0 73 64,-0.1 2,-0.4 62,-0.0 65,-0.3 0.532 88.8 99.0 -71.8 -13.0 85.7 53.5 9.5 50 48 A L < - 0 0 22 -3,-2.0 3,-0.1 1,-0.1 68,-0.1 -0.687 51.9-168.6 -91.3 131.3 84.3 56.7 7.9 51 49 A H S S+ 0 0 112 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.783 81.1 2.8 -72.1 -28.9 85.8 58.3 4.7 52 50 A R - 0 0 77 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.954 63.8-172.0-158.5 154.3 83.8 61.5 5.3 53 51 A Y - 0 0 70 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.3 -0.975 37.3 -89.3-156.7 159.4 81.4 63.0 7.8 54 52 A Y - 0 0 3 -11,-3.1 2,-0.8 -2,-0.3 3,-0.1 -0.603 31.2-161.0 -75.8 120.3 79.1 66.0 8.1 55 53 A Q > - 0 0 64 -2,-0.4 3,-1.8 1,-0.1 4,-0.2 -0.873 6.7-174.5-106.2 93.2 80.9 69.0 9.7 56 54 A R G > S+ 0 0 44 -2,-0.8 3,-1.5 1,-0.3 6,-0.2 0.753 78.6 67.7 -62.5 -26.2 78.1 71.2 10.9 57 55 A Q G 3 S+ 0 0 147 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.698 96.5 55.5 -67.5 -21.7 80.5 73.9 11.9 58 56 A L G < S+ 0 0 93 -3,-1.8 2,-0.6 -33,-0.0 -1,-0.3 0.500 92.0 88.3 -87.9 -3.0 81.3 74.4 8.3 59 57 A S X - 0 0 12 -3,-1.5 3,-0.7 -4,-0.2 -36,-0.1 -0.861 51.7-169.2-109.1 121.1 77.7 75.1 7.2 60 58 A S T 3 S+ 0 0 107 -36,-2.4 -1,-0.1 -2,-0.6 -4,-0.0 0.738 91.7 52.6 -72.2 -22.2 76.1 78.5 7.3 61 59 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.455 80.9 118.1 -99.0 -2.6 72.6 77.0 6.6 62 60 A Y < - 0 0 52 -3,-0.7 2,-0.4 -6,-0.2 23,-0.2 -0.393 41.9-171.4 -61.3 137.7 72.7 74.5 9.5 63 61 A R E -H 84 0A 148 21,-2.4 21,-2.3 -2,-0.1 2,-0.2 -0.980 17.5-133.0-137.1 128.2 70.1 74.9 12.2 64 62 A D E -H 83 0A 80 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.506 9.6-165.6 -78.1 137.7 70.0 73.0 15.5 65 63 A L E - 0 0 81 17,-2.3 18,-0.2 -2,-0.2 -1,-0.1 0.482 32.3-134.2 -99.6 -6.5 66.7 71.5 16.6 66 64 A R E + 0 0 223 16,-0.6 2,-0.3 1,-0.2 17,-0.1 0.893 68.3 106.1 55.3 49.4 68.0 70.9 20.2 67 65 A K E - 0 0 100 15,-0.4 15,-2.7 2,-0.0 -2,-0.2 -0.968 57.3-143.2-154.1 136.2 66.7 67.4 20.4 68 66 A G E -H 81 0A 47 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.530 7.5-150.3 -94.1 169.7 68.6 64.1 20.3 69 67 A V E -H 80 0A 6 11,-2.5 11,-2.8 -2,-0.2 2,-0.4 -0.992 5.0-165.7-138.9 142.4 67.6 60.7 18.8 70 68 A Y E -H 79 0A 122 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.999 5.4-172.8-131.1 130.9 68.5 57.2 19.8 71 69 A V E -H 78 0A 14 7,-3.0 7,-1.9 -2,-0.4 2,-0.2 -0.908 6.3-164.0-132.3 100.2 67.9 54.2 17.5 72 70 A P E -H 77 0A 87 0, 0.0 2,-0.3 0, 0.0 5,-0.3 -0.518 7.9-179.5 -82.2 152.9 68.4 50.6 18.7 73 71 A Y - 0 0 110 3,-2.8 2,-0.6 -2,-0.2 3,-0.3 -0.825 50.7 -78.9-126.2 173.1 68.8 47.5 16.7 74 72 A T S S+ 0 0 144 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.721 123.4 2.9 -70.0 119.3 69.3 43.9 17.8 75 73 A Q S S+ 0 0 131 -2,-0.6 -1,-0.2 1,-0.1 2,-0.1 0.938 132.5 17.1 54.2 97.9 73.1 44.2 18.4 76 74 A G - 0 0 11 -3,-0.3 -3,-2.8 31,-0.0 2,-0.3 -0.364 57.1-163.4 109.9 177.5 73.9 47.9 17.8 77 75 A K E -HI 72 108A 30 31,-2.0 31,-3.0 -5,-0.3 2,-0.3 -0.974 15.2-129.4 179.5 165.9 72.5 51.3 17.5 78 76 A W E -HI 71 107A 5 -7,-1.9 -7,-3.0 -2,-0.3 2,-0.3 -0.978 20.4-171.1-135.7 152.6 73.0 54.9 16.3 79 77 A E E +HI 70 106A 63 27,-2.6 26,-2.3 -2,-0.3 27,-1.8 -0.993 15.6 150.1-141.9 145.7 72.4 58.0 18.3 80 78 A G E -HI 69 104A 3 -11,-2.8 -11,-2.5 -2,-0.3 2,-0.4 -0.942 41.6 -91.1-164.5-177.1 72.5 61.6 17.3 81 79 A E E -HI 68 103A 77 22,-2.2 22,-3.2 -2,-0.3 -13,-0.2 -0.934 39.5-132.5-114.4 125.8 71.6 65.3 17.3 82 80 A L E + I 0 102A 2 -15,-2.7 -17,-2.3 -2,-0.4 -16,-0.6 -0.494 40.1 134.1 -84.2 147.8 68.7 66.7 15.1 83 81 A G E -HI 64 101A 2 18,-1.4 18,-2.6 -19,-0.3 2,-0.3 -0.922 41.9-114.8-165.9 179.8 68.9 69.7 12.9 84 82 A T E +HI 63 100A 19 -21,-2.3 -21,-2.4 -2,-0.3 2,-0.3 -0.914 33.3 156.9-126.7 163.7 68.0 70.9 9.5 85 83 A D E - 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