==== 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 02-JAN-07 2OF0 . 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) . 16849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 67.4 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 . 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 . 26 6.9 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 4 0 0 1 0 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 0 101 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -0.4 66.1 61.0 -16.2 2 0 A V T 34 + 0 0 124 1,-0.3 3,-0.5 2,-0.2 171,-0.0 0.752 360.0 66.2 -64.5 -22.7 69.3 60.0 -17.9 3 1 A E T 34 S+ 0 0 106 1,-0.2 -1,-0.3 89,-0.0 0, 0.0 0.830 105.1 43.8 -59.4 -33.9 71.1 62.3 -15.4 4 2 A M T X4 S+ 0 0 5 -3,-1.2 3,-1.4 165,-0.1 163,-0.6 0.507 85.9 115.4 -92.7 -6.5 70.0 59.8 -12.7 5 3 A V T 3< S+ 0 0 53 -4,-0.5 161,-0.1 -3,-0.5 -3,-0.0 -0.388 87.0 6.7 -71.5 141.5 70.8 56.6 -14.5 6 4 A D T 3 S+ 0 0 104 1,-0.1 -1,-0.3 149,-0.1 160,-0.2 0.759 85.6 137.5 60.1 29.2 73.6 54.5 -12.8 7 5 A N < + 0 0 14 -3,-1.4 12,-0.6 84,-0.1 2,-0.4 0.413 49.3 80.6 -87.5 3.4 73.6 57.0 -9.8 8 6 A L E +AB 18 165A 0 157,-2.3 157,-1.5 10,-0.1 2,-0.3 -0.903 53.4 170.3-112.3 144.6 73.8 54.1 -7.3 9 7 A R E +AB 17 164A 162 8,-2.1 8,-2.5 -2,-0.4 2,-0.3 -0.803 7.7 137.3-138.5 175.0 77.0 52.2 -6.3 10 8 A G E -AB 16 163A 2 153,-0.9 153,-2.0 -2,-0.3 2,-0.3 -0.963 44.3 -97.8 169.0 179.2 77.9 49.7 -3.6 11 9 A K E > - B 0 162A 72 4,-0.6 3,-2.0 -2,-0.3 4,-0.3 -0.945 56.7 -83.7-123.5 149.9 79.8 46.5 -2.7 12 10 A S T 3 S+ 0 0 35 149,-2.2 291,-0.1 -2,-0.3 150,-0.0 -0.268 114.7 9.0 -57.7 132.6 78.0 43.2 -2.5 13 11 A G T 3 S+ 0 0 37 1,-0.1 -1,-0.3 290,-0.1 212,-0.1 0.104 111.5 85.1 85.1 -18.7 76.4 42.7 1.0 14 12 A Q S < S- 0 0 32 -3,-2.0 -2,-0.2 1,-0.2 98,-0.1 0.281 93.4-118.0-100.3 8.0 77.0 46.4 2.0 15 13 A G - 0 0 20 -4,-0.3 -4,-0.6 17,-0.1 2,-0.4 0.017 31.7 -66.8 83.1 172.9 73.9 48.0 0.4 16 14 A Y E -A 10 0A 10 206,-0.4 17,-3.3 17,-0.4 2,-0.3 -0.867 47.6-169.0-107.7 132.8 73.3 50.6 -2.3 17 15 A Y E -AC 9 32A 22 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.3 -0.897 9.2-156.6-123.4 151.0 74.3 54.2 -1.8 18 16 A V E -AC 8 31A 2 13,-2.9 13,-3.1 -2,-0.3 2,-0.4 -0.882 28.9-106.9-119.9 151.7 73.6 57.5 -3.6 19 17 A E E + C 0 30A 58 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.684 44.1 170.4 -80.5 132.5 75.7 60.7 -3.5 20 18 A M E - C 0 29A 1 9,-2.8 9,-2.6 -2,-0.4 2,-0.4 -0.896 24.0-139.7-134.9 160.2 74.1 63.6 -1.6 21 19 A T E -DC 88 28A 20 67,-2.5 67,-1.8 -2,-0.3 2,-0.4 -0.957 14.4-165.8-122.4 148.0 75.2 67.0 -0.4 22 20 A V E > -DC 87 27A 0 5,-1.5 5,-1.8 -2,-0.4 65,-0.2 -0.999 45.8 -10.4-134.1 132.6 74.4 68.6 2.9 23 21 A G T 5S- 0 0 5 63,-3.0 4,-0.2 -2,-0.4 36,-0.1 0.132 90.5 -35.0 76.2 175.9 74.7 72.2 4.1 24 22 A S T 5S+ 0 0 34 2,-0.1 36,-2.4 1,-0.1 37,-0.3 -0.976 129.5 28.5-126.4 123.5 76.4 75.3 2.6 25 23 A P T 5S- 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.627 118.9 -97.8 -63.6 159.9 78.9 75.1 1.1 26 24 A P T 5 - 0 0 92 0, 0.0 2,-0.7 0, 0.0 -3,-0.2 -0.209 30.6-157.4 -55.3 126.3 78.0 71.5 -0.0 27 25 A Q E < -C 22 0A 23 -5,-1.8 -5,-1.5 -4,-0.2 2,-0.3 -0.928 18.4-139.6-100.3 113.9 79.4 68.6 1.9 28 26 A T E +C 21 0A 67 -2,-0.7 2,-0.3 -7,-0.2 -7,-0.2 -0.595 30.1 167.2 -75.9 131.5 79.4 65.5 -0.4 29 27 A L E -C 20 0A 4 -9,-2.6 -9,-2.8 -2,-0.3 2,-0.6 -0.995 36.1-126.0-144.6 143.0 78.5 62.2 1.3 30 28 A N E -C 19 0A 21 -2,-0.3 88,-3.0 -11,-0.2 89,-0.6 -0.856 34.0-165.5 -90.7 124.7 77.5 58.7 0.1 31 29 A I E -Ce 18 119A 0 -13,-3.1 -13,-2.9 -2,-0.6 89,-0.2 -0.939 19.5-119.5-123.9 123.7 74.3 57.7 1.6 32 30 A L E -Ce 17 120A 19 87,-2.5 89,-3.7 -2,-0.4 2,-0.7 -0.366 24.6-130.1 -59.8 134.4 72.6 54.3 1.9 33 31 A V E + e 0 121A 1 -17,-3.3 2,-0.5 87,-0.2 -17,-0.4 -0.794 33.4 177.0 -92.8 111.7 69.3 54.0 0.1 34 32 A D E > + e 0 122A 18 87,-2.4 89,-2.6 -2,-0.7 3,-1.0 -0.870 25.2 175.3-127.8 100.9 66.9 52.4 2.6 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.5 1,-0.2 185,-0.2 0.459 81.0 70.0 -79.0 2.0 63.2 51.8 1.8 36 34 A G T 3 S+ 0 0 16 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.345 102.2 37.9 -99.3 9.0 62.9 50.0 5.2 37 35 A S < - 0 0 24 -3,-1.0 87,-2.9 84,-0.2 86,-0.3 -0.928 62.1-145.0-148.3 174.1 63.3 53.1 7.4 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.3 0.335 61.6 99.8-130.1 3.7 62.3 56.8 7.4 39 37 A N - 0 0 11 89,-0.1 83,-1.1 98,-0.1 2,-0.8 -0.838 58.4-144.7 -98.7 132.3 65.2 58.8 9.0 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.3 81,-0.2 2,-0.4 -0.889 37.7 169.3 -83.8 109.1 67.8 60.8 7.1 41 39 A A E -Fg 120 102A 0 79,-2.1 79,-2.9 -2,-0.8 2,-0.4 -0.996 12.6-175.7-132.1 130.0 70.8 60.1 9.4 42 40 A V E -Fg 119 103A 0 60,-2.4 62,-3.0 -2,-0.4 77,-0.3 -0.975 34.5-101.9-131.1 142.4 74.5 60.9 8.7 43 41 A G E + g 0 104A 1 75,-3.0 11,-3.3 -2,-0.4 62,-0.1 -0.376 36.3 176.6 -57.0 129.6 77.9 60.4 10.5 44 42 A A + 0 0 16 60,-2.5 12,-0.2 9,-0.3 -1,-0.1 0.191 57.5 54.4-124.4 13.4 78.9 63.6 12.1 45 43 A A S S- 0 0 36 59,-0.4 2,-2.7 7,-0.1 9,-0.1 -0.971 96.1 -90.1-146.3 155.5 82.1 62.6 14.0 46 44 A P + 0 0 92 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.302 47.5 173.4 -73.3 64.6 85.3 60.9 13.0 47 45 A H > - 0 0 62 -2,-2.7 3,-1.9 1,-0.1 59,-0.0 -0.511 39.6-124.0 -62.6 134.6 84.4 57.2 13.5 48 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.721 106.9 60.3 -64.2 -25.4 87.5 55.4 12.1 49 47 A F T 3 S+ 0 0 75 64,-0.1 2,-0.4 65,-0.0 65,-0.4 0.573 90.1 98.9 -67.2 -13.5 85.5 53.3 9.5 50 48 A L < - 0 0 23 -3,-1.9 68,-0.1 1,-0.1 3,-0.1 -0.686 53.3-167.8 -92.7 130.5 84.3 56.5 7.9 51 49 A H S S- 0 0 111 -2,-0.4 2,-0.3 64,-0.2 -1,-0.1 0.775 81.8 -0.3 -69.2 -31.9 85.7 58.2 4.8 52 50 A R - 0 0 73 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.950 63.6-166.7-154.9 161.4 83.7 61.4 5.4 53 51 A Y - 0 0 72 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.3 -0.984 37.1 -87.7-158.4 155.2 81.3 62.9 7.9 54 52 A Y - 0 0 2 -11,-3.3 2,-0.8 -2,-0.3 3,-0.1 -0.513 33.5-161.8 -66.2 119.0 78.9 65.8 8.2 55 53 A Q > - 0 0 66 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 -0.847 9.3-178.5-103.8 93.2 80.8 68.9 9.7 56 54 A R G > S+ 0 0 44 -2,-0.8 3,-2.5 1,-0.3 6,-0.3 0.867 76.6 68.8 -61.3 -36.6 78.0 71.1 10.9 57 55 A Q G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.726 98.3 53.5 -53.4 -24.7 80.4 73.8 12.0 58 56 A L G < S+ 0 0 97 -3,-1.5 2,-0.6 -33,-0.0 -1,-0.3 0.552 91.8 88.3 -85.9 -10.0 81.2 74.4 8.3 59 57 A S X - 0 0 12 -3,-2.5 3,-0.7 -4,-0.3 -36,-0.1 -0.821 51.5-168.6-106.5 122.4 77.6 74.9 7.2 60 58 A S T 3 S+ 0 0 102 -36,-2.4 -1,-0.2 -2,-0.6 -37,-0.0 0.778 91.1 54.0 -71.6 -26.8 75.9 78.4 7.3 61 59 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.459 80.3 119.1 -90.8 0.7 72.5 76.9 6.7 62 60 A Y < - 0 0 51 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.407 40.6-171.3 -70.1 139.8 72.6 74.4 9.6 63 61 A R E -H 84 0A 145 21,-2.5 21,-2.2 -2,-0.1 2,-0.2 -0.954 17.3-136.1-135.7 121.0 69.9 74.8 12.4 64 62 A D E -H 83 0A 82 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.447 6.7-162.1 -70.3 136.0 70.0 72.8 15.6 65 63 A L E - 0 0 78 17,-2.5 18,-0.2 2,-0.2 -1,-0.1 0.333 32.1-132.0 -97.1 0.1 66.6 71.3 16.7 66 64 A R E S+ 0 0 229 16,-0.4 2,-0.3 1,-0.1 17,-0.1 0.900 70.7 104.3 45.8 53.2 67.9 70.9 20.3 67 65 A K E - 0 0 109 15,-0.5 15,-3.2 2,-0.0 -2,-0.2 -0.954 57.6-142.3-156.6 142.2 66.6 67.3 20.5 68 66 A G E -H 81 0A 44 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.474 5.5-149.7 -98.8 172.4 68.3 63.9 20.3 69 67 A V E -H 80 0A 9 11,-2.2 11,-2.6 -2,-0.2 2,-0.5 -0.991 3.2-163.9-142.0 143.2 67.4 60.6 18.8 70 68 A Y E -H 79 0A 126 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.989 5.5-171.1-132.8 120.0 68.4 57.1 19.9 71 69 A V E -H 78 0A 6 7,-3.3 7,-1.9 -2,-0.5 2,-0.2 -0.880 7.0-175.8-119.2 96.1 67.9 54.2 17.4 72 70 A P E +H 77 0A 77 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.604 8.5 163.7 -85.4 154.1 68.4 50.7 18.8 73 71 A Y E > -H 76 0A 87 3,-2.5 3,-0.8 -2,-0.2 2,-0.4 -0.803 54.1 -49.3-145.3-170.4 68.3 47.5 16.8 74 72 A T T 3 S- 0 0 138 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.565 123.7 -8.5 -73.3 122.3 69.4 43.9 17.4 75 73 A Q T 3 S+ 0 0 149 -2,-0.4 -1,-0.3 1,-0.1 2,-0.3 0.975 132.3 21.8 50.7 63.9 73.0 43.9 18.6 76 74 A G E < -H 73 0A 12 -3,-0.8 -3,-2.5 2,-0.0 2,-0.3 -0.852 56.1-164.1 146.3-175.8 73.6 47.7 18.0 77 75 A K E -HI 72 108A 21 31,-2.5 31,-3.3 -2,-0.3 2,-0.3 -0.987 13.6-135.3-177.8 167.1 72.4 51.2 17.6 78 76 A W E -HI 71 107A 12 -7,-1.9 -7,-3.3 -2,-0.3 2,-0.3 -0.958 19.7-175.8-136.7 161.9 73.1 54.7 16.5 79 77 A E E +HI 70 106A 51 27,-2.7 26,-1.9 -2,-0.3 27,-1.8 -0.984 10.9 150.2-150.5 158.5 72.2 58.0 18.2 80 78 A G E -HI 69 104A 5 -11,-2.6 -11,-2.2 -2,-0.3 2,-0.4 -0.949 41.7 -78.7-168.7-175.2 72.4 61.6 17.4 81 79 A E E -HI 68 103A 79 22,-1.9 22,-2.9 -2,-0.3 2,-0.2 -0.898 42.4-131.4-109.1 130.4 71.4 65.2 17.5 82 80 A L E + I 0 102A 5 -15,-3.2 -17,-2.5 -2,-0.4 -15,-0.5 -0.589 40.9 136.2 -85.4 146.1 68.6 66.5 15.3 83 81 A G E -HI 64 101A 2 18,-1.6 18,-2.2 -19,-0.3 2,-0.3 -0.891 41.5-114.5-161.9-174.7 68.8 69.5 13.1 84 82 A T E +HI 63 100A 21 -21,-2.2 -21,-2.5 -2,-0.3 2,-0.3 -0.965 33.6 155.6-133.6 157.0 67.9 70.8 9.6 85 83 A D E - 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