==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-07 2OHU . 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) . 16601.0 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 . 111 29.4 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 . 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 . 43 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.4 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 4 2 3 4 0 1 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 0 100 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 10.2 66.3 60.7 -16.9 2 0 A V G > + 0 0 124 1,-0.2 3,-0.7 2,-0.2 171,-0.0 0.753 360.0 66.7 -65.1 -26.3 69.6 59.6 -18.4 3 1 A E G 3 S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.850 103.1 46.3 -62.3 -33.5 71.5 61.8 -15.9 4 2 A M G X S+ 0 0 4 -3,-0.8 3,-1.6 2,-0.1 163,-0.6 0.573 84.0 113.7 -86.3 -8.2 70.3 59.4 -13.1 5 3 A V T < S+ 0 0 54 -3,-0.7 161,-0.1 -4,-0.5 -3,-0.0 -0.407 88.5 8.0 -69.3 135.6 71.1 56.1 -14.8 6 4 A D T 3 S+ 0 0 86 149,-0.1 -1,-0.3 1,-0.1 160,-0.2 0.667 83.5 136.6 73.1 16.8 73.8 54.3 -13.0 7 5 A N < + 0 0 14 -3,-1.6 12,-0.6 84,-0.1 2,-0.4 0.291 51.9 83.0 -76.6 9.7 73.9 56.7 -10.0 8 6 A L E +AB 18 165A 0 157,-1.8 157,-1.2 10,-0.1 2,-0.3 -0.957 52.4 171.8-120.9 135.0 74.1 53.8 -7.5 9 7 A R E +AB 17 164A 98 8,-2.2 8,-2.9 -2,-0.4 2,-0.3 -0.828 9.5 136.3-130.9 172.5 77.2 51.8 -6.4 10 8 A G E -AB 16 163A 0 153,-1.0 153,-1.5 -2,-0.3 2,-0.3 -0.969 43.5-102.5 171.0 175.0 78.0 49.2 -3.7 11 9 A K E > - B 0 162A 56 4,-0.6 3,-2.5 -2,-0.3 151,-0.2 -0.942 57.6 -81.1-122.1 150.3 79.7 46.0 -2.7 12 10 A S T 3 S+ 0 0 51 149,-1.5 213,-0.0 -2,-0.3 150,-0.0 -0.157 114.9 6.3 -57.7 137.6 77.8 42.8 -2.3 13 11 A G T 3 S+ 0 0 33 1,-0.1 -1,-0.3 212,-0.1 212,-0.1 0.384 113.4 87.4 71.1 -2.1 75.9 42.4 0.9 14 12 A Q S < S- 0 0 49 -3,-2.5 -2,-0.2 1,-0.2 98,-0.1 0.201 91.5-120.4-112.6 11.9 76.8 46.0 1.8 15 13 A G - 0 0 17 -4,-0.2 -4,-0.6 -5,-0.1 2,-0.4 0.074 28.4 -69.9 74.5 177.7 73.8 47.8 0.1 16 14 A Y E -A 10 0A 8 17,-0.4 17,-3.4 206,-0.3 2,-0.3 -0.899 45.6-166.6-114.2 132.3 73.5 50.4 -2.6 17 15 A Y E -AC 9 32A 17 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.3 -0.869 8.6-155.2-123.6 154.4 74.5 54.0 -2.1 18 16 A V E -AC 8 31A 3 13,-2.3 13,-3.0 -2,-0.3 2,-0.3 -0.918 29.0-107.8-122.2 147.3 73.9 57.3 -3.9 19 17 A E E + C 0 30A 58 -12,-0.6 72,-0.3 -2,-0.3 2,-0.3 -0.610 43.6 174.2 -73.7 137.7 76.0 60.4 -3.9 20 18 A M E - C 0 29A 0 9,-2.6 9,-2.7 -2,-0.3 2,-0.4 -0.917 22.2-141.8-135.9 160.6 74.5 63.3 -2.0 21 19 A T E -DC 88 28A 18 67,-3.0 67,-2.4 -2,-0.3 2,-0.3 -0.986 16.9-174.5-125.6 140.2 75.6 66.8 -1.0 22 20 A V E > +DC 87 27A 0 5,-1.8 5,-3.4 -2,-0.4 65,-0.2 -0.967 44.5 8.5-130.5 150.5 74.7 68.5 2.3 23 21 A G T 5S- 0 0 6 63,-1.3 4,-0.1 -2,-0.3 36,-0.1 0.022 90.2 -49.5 76.3 176.1 75.4 72.0 3.6 24 22 A S T 5S+ 0 0 29 2,-0.1 36,-2.0 1,-0.1 37,-0.3 -0.980 131.4 31.0-131.2 116.5 76.7 75.2 2.0 25 23 A P T 5S- 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.596 121.2-101.7 -72.0 166.3 79.1 74.9 0.4 26 24 A P T 5 - 0 0 87 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.305 28.5-155.5 -70.9 134.4 78.2 71.3 -0.5 27 25 A Q E < -C 22 0A 27 -5,-3.4 -5,-1.8 -4,-0.1 2,-0.3 -0.932 18.5-136.0-105.6 118.7 79.8 68.4 1.4 28 26 A T E +C 21 0A 70 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.598 30.1 171.6 -75.5 127.9 79.7 65.2 -0.8 29 27 A L E -C 20 0A 2 -9,-2.7 -9,-2.6 -2,-0.3 2,-0.6 -0.985 33.6-127.6-134.1 146.8 78.7 62.0 1.1 30 28 A N E -C 19 0A 24 -2,-0.3 88,-2.9 -11,-0.2 89,-0.6 -0.873 33.9-163.6 -94.0 122.2 77.9 58.5 -0.1 31 29 A I E -Ce 18 119A 0 -13,-3.0 -13,-2.3 -2,-0.6 89,-0.3 -0.928 19.3-121.5-121.1 122.0 74.4 57.5 1.3 32 30 A L E -Ce 17 120A 17 87,-3.0 89,-3.6 -2,-0.5 2,-0.7 -0.327 26.8-130.7 -56.8 130.2 72.9 54.0 1.7 33 31 A V E + e 0 121A 2 -17,-3.4 2,-0.5 87,-0.2 -17,-0.4 -0.806 34.1 176.6 -89.5 114.7 69.5 53.8 -0.2 34 32 A D E > + e 0 122A 15 87,-2.5 89,-2.9 -2,-0.7 3,-0.8 -0.893 26.8 175.8-131.4 107.7 67.0 52.3 2.2 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.5 1,-0.2 185,-0.2 0.451 81.2 68.9 -83.7 -1.3 63.3 51.8 1.5 36 34 A G T 3 S+ 0 0 12 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.244 102.9 38.8-101.1 10.7 62.8 50.0 4.9 37 35 A S < - 0 0 27 -3,-0.8 87,-2.9 84,-0.2 86,-0.4 -0.929 63.3-145.3-150.1 172.7 63.4 53.1 7.0 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.153 59.6 102.5-134.0 14.6 62.5 56.8 7.0 39 37 A N - 0 0 12 98,-0.1 83,-1.6 89,-0.1 2,-0.7 -0.851 56.4-146.0-103.6 138.4 65.5 58.8 8.5 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.3 81,-0.2 2,-0.4 -0.933 38.0 165.9 -92.5 110.2 68.1 60.8 6.7 41 39 A A E -Fg 120 102A 0 79,-2.1 79,-2.6 -2,-0.7 2,-0.4 -0.995 14.1-174.6-138.4 127.3 71.1 60.2 9.0 42 40 A V E -Fg 119 103A 0 60,-2.2 62,-3.7 -2,-0.4 77,-0.3 -0.931 35.2-101.6-126.8 140.3 74.8 60.9 8.3 43 41 A G E + g 0 104A 1 75,-3.3 11,-3.3 -2,-0.4 62,-0.2 -0.438 36.4 178.1 -52.9 131.9 78.0 60.2 10.1 44 42 A A + 0 0 16 60,-2.6 12,-0.2 9,-0.3 -1,-0.1 0.070 57.3 54.7-128.2 17.9 79.0 63.6 11.7 45 43 A A S S- 0 0 33 59,-0.2 2,-2.6 7,-0.1 5,-0.1 -0.982 94.8 -90.2-154.4 153.5 82.2 62.5 13.5 46 44 A P + 0 0 95 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.334 48.7 171.4 -72.4 65.5 85.5 60.8 12.7 47 45 A H > - 0 0 58 -2,-2.6 3,-1.6 1,-0.1 -2,-0.0 -0.538 42.5-121.7 -66.8 139.2 84.6 57.2 13.3 48 46 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.672 108.2 58.5 -64.2 -21.0 87.6 55.2 12.0 49 47 A F T 3 S+ 0 0 73 64,-0.1 2,-0.3 65,-0.0 65,-0.3 0.630 88.7 96.1 -76.3 -16.0 85.5 53.2 9.4 50 48 A L < - 0 0 24 -3,-1.6 3,-0.1 1,-0.1 68,-0.1 -0.618 56.1-162.1 -90.5 133.0 84.2 56.4 7.7 51 49 A H S S- 0 0 107 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.789 82.3 -9.1 -70.3 -32.1 85.8 57.9 4.5 52 50 A R - 0 0 78 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.962 64.8-162.2-161.2 163.5 84.1 61.2 5.3 53 51 A Y - 0 0 70 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.3 -0.972 35.6 -82.4-153.1 163.6 81.4 62.8 7.6 54 52 A Y - 0 0 2 -11,-3.3 2,-0.8 -2,-0.3 3,-0.1 -0.609 32.8-162.3 -75.1 124.0 79.2 65.8 7.9 55 53 A Q > - 0 0 60 -2,-0.4 3,-1.7 1,-0.2 4,-0.1 -0.858 7.7-177.1-110.6 89.3 80.9 68.8 9.3 56 54 A R G > S+ 0 0 48 -2,-0.8 3,-1.8 1,-0.3 6,-0.2 0.800 78.2 68.0 -57.5 -32.2 78.1 71.1 10.5 57 55 A Q G 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.699 97.1 53.6 -60.4 -24.2 80.6 73.8 11.4 58 56 A L G < S+ 0 0 100 -3,-1.7 2,-0.6 -33,-0.0 -1,-0.3 0.387 92.9 89.8 -91.3 3.1 81.5 74.3 7.8 59 57 A S X - 0 0 13 -3,-1.8 3,-0.8 -4,-0.1 -36,-0.1 -0.895 51.0-170.7-114.5 116.9 77.9 74.9 6.7 60 58 A S T 3 S+ 0 0 105 -36,-2.0 -1,-0.1 -2,-0.6 -4,-0.0 0.744 91.7 53.6 -69.7 -22.2 76.2 78.4 6.7 61 59 A T T 3 S+ 0 0 35 -37,-0.3 -1,-0.2 25,-0.1 -38,-0.1 0.416 80.9 120.1 -98.7 4.4 72.8 76.9 6.1 62 60 A Y < - 0 0 51 -3,-0.8 2,-0.3 -6,-0.2 23,-0.2 -0.395 40.6-171.8 -66.3 142.0 72.9 74.5 9.0 63 61 A R E -H 84 0A 147 21,-2.1 21,-1.8 -2,-0.1 2,-0.2 -0.946 16.6-137.2-139.6 121.0 70.2 74.8 11.7 64 62 A D E -H 83 0A 78 -2,-0.3 19,-0.3 19,-0.2 18,-0.0 -0.485 8.0-164.8 -72.3 138.3 70.2 73.0 15.0 65 63 A L E - 0 0 80 17,-2.3 18,-0.2 2,-0.2 -1,-0.1 0.390 32.8-134.7-100.3 -2.6 66.8 71.6 16.1 66 64 A R E + 0 0 215 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.874 67.6 110.5 51.3 45.7 68.2 71.1 19.6 67 65 A K E -H 82 0A 94 15,-0.5 15,-3.7 2,-0.0 -2,-0.2 -0.984 56.0-142.1-145.1 142.0 66.8 67.6 19.9 68 66 A G E -H 81 0A 49 -2,-0.3 2,-0.3 13,-0.3 13,-0.2 -0.539 4.1-148.2 -97.0 167.1 68.6 64.3 20.0 69 67 A V E -H 80 0A 8 11,-2.5 11,-2.5 -2,-0.2 2,-0.5 -0.991 4.8-165.8-134.4 132.7 67.6 60.8 18.5 70 68 A Y E -H 79 0A 136 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.971 8.4-173.5-120.4 115.4 68.6 57.5 20.0 71 69 A V E -H 78 0A 12 7,-3.1 7,-1.6 -2,-0.5 2,-0.1 -0.752 5.7-178.4-118.7 85.7 68.1 54.6 17.6 72 70 A P E +H 77 0A 73 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.472 4.3 174.2 -80.3 149.7 68.6 51.1 19.1 73 71 A Y - 0 0 85 3,-2.4 3,-0.3 -2,-0.1 -2,-0.0 -0.866 47.9 -88.3-140.1 176.9 68.4 47.8 17.3 74 72 A T S S+ 0 0 154 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.930 122.8 26.7 -58.4 -50.5 69.1 44.2 18.4 75 73 A Q S S- 0 0 151 34,-0.1 -1,-0.2 -3,-0.0 2,-0.2 0.548 131.8 -25.9 -90.7 -5.8 72.8 44.0 17.6 76 74 A G - 0 0 11 -3,-0.3 -3,-2.4 33,-0.0 2,-0.3 -0.775 55.8-130.4-170.1-152.8 73.7 47.8 17.9 77 75 A K E -HI 72 108A 16 31,-1.9 31,-3.6 -5,-0.2 2,-0.3 -0.967 1.2-148.6-174.5 159.9 72.6 51.4 17.7 78 76 A W E -HI 71 107A 14 -7,-1.6 -7,-3.1 -2,-0.3 2,-0.3 -0.978 15.3-172.7-134.8 154.2 73.2 54.9 16.4 79 77 A E E +HI 70 106A 50 27,-2.5 26,-2.3 -2,-0.3 27,-1.3 -0.976 11.5 155.2-138.6 161.1 72.4 58.2 18.0 80 78 A G E -HI 69 104A 5 -11,-2.5 -11,-2.5 -2,-0.3 2,-0.5 -0.957 39.7 -89.8-169.1-178.0 72.5 61.8 16.9 81 79 A E E -HI 68 103A 82 22,-1.9 22,-2.6 -2,-0.3 -13,-0.3 -0.919 41.4-125.5-117.0 127.2 71.5 65.4 17.0 82 80 A L E +HI 67 102A 0 -15,-3.7 -17,-2.3 -2,-0.5 -16,-0.5 -0.513 44.4 134.5 -79.6 144.4 68.6 66.6 14.9 83 81 A G E -HI 64 101A 1 18,-1.5 18,-2.1 -19,-0.3 2,-0.3 -0.877 40.1-119.7-160.3-172.5 68.9 69.5 12.5 84 82 A T E +HI 63 100A 20 -21,-1.8 -21,-2.1 16,-0.3 2,-0.3 -0.954 30.9 154.0-139.4 159.5 68.1 70.8 8.9 85 83 A D E - 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