==== 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-APR-07 2PH8 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MUNSHI . 365 4 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16375.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 30.1 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 . 41 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.4 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 4 2 3 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 45PA G > 0 0 92 0, 0.0 3,-1.3 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 145.5 38.9 41.6 32.8 2 46PA S T 3 + 0 0 115 1,-0.2 3,-0.4 2,-0.1 169,-0.1 0.766 360.0 55.4 -68.1 -24.1 41.0 38.6 31.9 3 47PA F T >> + 0 0 48 1,-0.2 3,-2.3 167,-0.1 4,-0.5 0.207 70.0 120.7 -92.0 17.0 40.5 39.3 28.1 4 48PA V G X4 + 0 0 93 -3,-1.3 3,-1.1 1,-0.3 -1,-0.2 0.778 63.8 62.8 -54.8 -32.1 41.8 42.8 28.3 5 1 A E G 34 S+ 0 0 171 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.685 102.6 51.4 -72.4 -13.5 44.6 42.3 25.8 6 2 A M G X4 S+ 0 0 20 -3,-2.3 3,-1.2 158,-0.0 159,-0.6 0.538 82.9 112.5 -95.6 -11.7 42.0 41.5 23.1 7 3 A V T << S+ 0 0 52 -3,-1.1 157,-0.1 -4,-0.5 -3,-0.0 -0.400 86.7 8.8 -65.3 138.3 40.0 44.7 23.7 8 4 A D T 3 S+ 0 0 113 149,-0.1 -1,-0.3 1,-0.1 156,-0.2 0.790 83.0 136.8 62.9 32.1 40.1 47.1 20.7 9 5 A N < + 0 0 15 -3,-1.2 12,-0.5 84,-0.1 2,-0.4 0.417 51.9 79.7 -86.3 1.4 42.0 44.7 18.5 10 6 A L E -AB 20 163A 0 153,-2.4 153,-1.4 10,-0.1 2,-0.3 -0.872 54.3-176.1-111.3 146.7 39.8 45.6 15.5 11 7 A R E +A 19 0A 126 8,-2.2 8,-3.1 -2,-0.4 2,-0.2 -0.857 39.9 58.9-127.7 167.9 39.9 48.5 13.1 12 8 A G E -A 18 0A 27 -2,-0.3 2,-0.3 6,-0.2 6,-0.3 -0.690 63.9-100.9 113.8-168.1 37.6 49.6 10.2 13 9 A K E >> -A 17 0A 133 4,-1.2 4,-2.2 -2,-0.2 3,-1.0 -0.951 34.1 -93.6-155.1 166.7 34.0 50.5 9.7 14 10 A S T 34 S+ 0 0 12 -2,-0.3 308,-0.2 1,-0.2 309,-0.1 0.831 117.8 53.9 -55.9 -39.5 30.7 49.0 8.5 15 11 A G T 34 S+ 0 0 19 1,-0.2 -1,-0.2 284,-0.2 208,-0.1 0.715 124.7 21.3 -71.3 -23.0 31.1 50.3 4.9 16 12 A Q T <4 S- 0 0 69 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.481 114.5 -98.5-126.6 -4.8 34.5 48.8 4.3 17 13 A G E < -A 13 0A 8 -4,-2.2 -4,-1.2 203,-0.1 2,-0.4 0.045 27.7 -95.8 101.7 152.5 34.8 45.9 6.8 18 14 A Y E -A 12 0A 3 17,-0.4 17,-2.9 202,-0.3 2,-0.3 -0.845 42.2-165.3-103.1 141.8 36.4 45.4 10.2 19 15 A Y E -AC 11 34A 16 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.3 -0.933 14.2-159.3-136.1 154.2 39.9 43.8 10.4 20 16 A V E -AC 10 33A 1 13,-2.5 13,-2.9 -2,-0.3 2,-0.3 -0.898 31.5-105.9-124.4 150.8 42.3 42.2 12.8 21 17 A E E - C 0 32A 70 -12,-0.5 72,-0.4 -2,-0.3 2,-0.4 -0.636 37.2-176.5 -77.0 135.0 46.1 41.7 12.6 22 18 A M E - C 0 31A 0 9,-2.5 9,-2.7 -2,-0.3 2,-0.6 -0.998 16.6-144.6-131.8 139.8 47.2 38.2 11.9 23 19 A T E -DC 90 30A 21 67,-2.9 67,-2.5 -2,-0.4 2,-0.4 -0.912 21.4-173.6-108.6 122.5 50.8 36.9 11.8 24 20 A V E > -DC 89 29A 0 5,-3.0 5,-1.6 -2,-0.6 65,-0.2 -0.916 36.9 -7.6-119.5 139.7 51.6 34.3 9.2 25 21 A G T 5S- 0 0 12 63,-2.6 4,-0.2 -2,-0.4 36,-0.1 -0.020 85.5 -43.2 82.8-176.9 54.7 32.2 8.5 26 22 A S T 5S+ 0 0 46 2,-0.1 36,-2.8 3,-0.0 37,-0.4 -0.984 125.7 30.3-142.1 121.6 58.3 32.2 9.7 27 23 A P T 5S- 0 0 90 0, 0.0 36,-0.1 0, 0.0 -3,-0.1 0.651 121.6 -92.5 -62.6 167.9 59.8 34.7 10.0 28 24 A P T 5 - 0 0 99 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.239 38.8-172.6 -64.0 136.6 56.6 36.6 10.9 29 25 A Q E < -C 24 0A 26 -5,-1.6 -5,-3.0 -4,-0.2 2,-0.4 -0.962 12.8-159.3-123.9 112.0 54.6 38.4 8.2 30 26 A T E +C 23 0A 64 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.2 -0.775 15.4 174.1 -96.7 131.4 51.8 40.4 9.8 31 27 A L E -C 22 0A 4 -9,-2.7 -9,-2.5 -2,-0.4 2,-0.5 -0.921 36.0-109.8-130.8 158.7 48.8 41.4 7.7 32 28 A N E -C 21 0A 7 -2,-0.3 88,-3.2 -11,-0.2 89,-0.6 -0.803 39.6-165.2 -89.4 125.2 45.4 43.1 8.2 33 29 A I E -Ce 20 121A 0 -13,-2.9 -13,-2.5 -2,-0.5 89,-0.3 -0.952 19.5-121.9-126.0 122.9 42.6 40.6 7.8 34 30 A L E -Ce 19 122A 10 87,-2.8 89,-3.4 -2,-0.5 2,-0.8 -0.362 23.8-132.0 -58.7 128.9 38.9 41.2 7.3 35 31 A V E + e 0 123A 1 -17,-2.9 2,-0.5 87,-0.2 -17,-0.4 -0.782 34.4 178.5 -87.3 112.4 36.8 39.5 10.0 36 32 A D E > + e 0 124A 12 87,-2.4 89,-2.8 -2,-0.8 3,-0.8 -0.898 27.2 175.8-128.4 106.3 34.0 37.7 8.1 37 33 A T T 3 S+ 0 0 0 -2,-0.5 153,-0.5 1,-0.2 181,-0.2 0.453 78.8 70.6 -86.0 3.6 31.3 35.6 9.7 38 34 A G T 3 S+ 0 0 12 151,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.335 102.0 34.9-100.3 7.4 29.6 35.0 6.3 39 35 A S < - 0 0 8 -3,-0.8 87,-2.9 84,-0.1 92,-0.1 -0.911 62.7-141.3-151.9 176.3 32.3 32.7 4.8 40 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.248 62.2 100.1-135.7 10.4 34.7 30.0 5.8 41 37 A N - 0 0 4 98,-0.1 83,-1.3 89,-0.1 2,-0.6 -0.859 56.2-146.5-102.2 137.3 38.0 30.4 3.9 42 38 A F E +F 123 0A 10 -2,-0.4 62,-2.2 81,-0.2 2,-0.3 -0.922 36.4 161.5 -94.8 122.0 41.2 32.0 5.3 43 39 A A E -Fg 122 104A 0 79,-2.4 79,-3.0 -2,-0.6 2,-0.4 -0.999 21.0-165.8-147.7 144.1 42.8 33.8 2.4 44 40 A V E -Fg 121 105A 0 60,-2.8 62,-3.2 -2,-0.3 77,-0.3 -0.987 34.4-100.6-135.1 143.2 45.4 36.5 1.9 45 41 A G E + g 0 106A 0 75,-3.3 11,-3.1 -2,-0.4 62,-0.2 -0.368 38.6 178.0 -54.4 131.8 46.6 38.7 -0.9 46 42 A A + 0 0 14 60,-2.7 12,-0.2 9,-0.3 -1,-0.1 0.105 57.4 42.7-132.5 19.0 49.9 37.1 -2.1 47 43 A A S S- 0 0 31 59,-0.3 9,-0.1 7,-0.1 -1,-0.1 -0.969 98.3 -72.1-158.7 154.9 50.9 39.3 -5.0 48 44 A P + 0 0 99 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.153 51.5 171.3 -51.4 145.1 51.0 43.1 -5.7 49 45 A H > - 0 0 56 3,-0.4 3,-1.9 -4,-0.1 59,-0.0 -0.952 43.2-117.4-156.2 141.9 47.6 44.8 -6.2 50 46 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.783 115.6 45.1 -52.1 -31.9 46.7 48.5 -6.5 51 47 A F T 3 S+ 0 0 82 64,-0.1 2,-0.5 -3,-0.0 65,-0.3 0.420 96.1 92.2 -96.5 0.7 44.6 48.4 -3.4 52 48 A L < - 0 0 22 -3,-1.9 -3,-0.4 1,-0.1 3,-0.1 -0.851 48.0-171.3-104.7 128.0 47.1 46.4 -1.2 53 49 A H S S+ 0 0 130 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.802 80.4 1.3 -78.5 -34.3 49.7 48.0 1.1 54 50 A R - 0 0 91 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.945 66.6-162.8-147.0 165.3 51.3 44.6 1.8 55 51 A Y - 0 0 79 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.3 -0.970 32.8 -87.7-149.0 164.3 50.9 41.0 0.8 56 52 A Y - 0 0 1 -11,-3.1 2,-0.7 -2,-0.3 -31,-0.0 -0.591 30.6-159.2 -75.5 127.1 52.0 37.5 1.8 57 53 A Q > - 0 0 68 -2,-0.3 3,-1.1 1,-0.2 4,-0.3 -0.860 8.2-175.6-109.9 93.2 55.3 36.3 0.4 58 54 A R G > S+ 0 0 62 -2,-0.7 3,-1.5 1,-0.2 6,-0.3 0.805 78.8 63.6 -57.6 -36.6 55.2 32.5 0.6 59 55 A Q G 3 S+ 0 0 147 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.820 101.3 52.9 -63.3 -27.1 58.8 32.1 -0.6 60 56 A L G < S+ 0 0 96 -3,-1.1 2,-0.7 1,-0.1 -1,-0.3 0.527 92.0 86.8 -82.8 -7.3 60.1 34.0 2.5 61 57 A S X - 0 0 7 -3,-1.5 3,-1.1 -4,-0.3 -36,-0.1 -0.835 56.6-168.5-101.1 111.2 58.2 31.6 4.9 62 58 A S T 3 S+ 0 0 99 -36,-2.8 -1,-0.1 -2,-0.7 -4,-0.0 0.727 88.0 53.4 -65.8 -20.7 60.1 28.5 5.8 63 59 A T T 3 S+ 0 0 30 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.2 0.485 80.6 116.4 -95.9 -3.9 57.0 26.9 7.4 64 60 A Y < - 0 0 34 -3,-1.1 2,-0.5 -6,-0.3 23,-0.2 -0.461 46.0-165.1 -71.1 132.4 54.8 27.3 4.3 65 61 A R E -H 86 0A 148 21,-2.7 21,-2.2 -2,-0.2 2,-0.3 -0.971 13.7-140.3-121.3 115.0 53.6 24.1 2.7 66 62 A D E -H 85 0A 70 -2,-0.5 19,-0.3 19,-0.2 18,-0.0 -0.580 4.6-159.2 -72.7 127.3 52.1 24.2 -0.8 67 63 A L E - 0 0 82 17,-2.2 18,-0.2 -2,-0.3 -1,-0.1 0.467 30.6-132.4 -84.7 -4.1 49.0 21.9 -1.1 68 64 A R E S+ 0 0 225 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.844 70.7 108.0 55.8 40.7 49.5 22.0 -4.9 69 65 A K E - 0 0 104 15,-0.5 15,-3.2 2,-0.0 -2,-0.2 -0.991 61.6-135.4-144.0 139.1 45.8 22.6 -5.4 70 66 A G E -H 83 0A 42 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.496 14.9-157.5 -90.2 165.8 44.1 25.8 -6.6 71 67 A V E -H 82 0A 9 11,-2.4 11,-2.5 -2,-0.2 2,-0.4 -0.995 6.1-163.6-144.3 142.9 40.9 27.4 -5.1 72 68 A Y E -H 81 0A 144 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.998 8.1-170.7-127.1 128.8 38.3 29.8 -6.5 73 69 A V E -H 80 0A 4 7,-2.8 7,-1.9 -2,-0.4 2,-0.5 -0.941 4.1-170.2-128.6 110.2 36.0 31.6 -4.2 74 70 A P E -H 79 0A 51 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.854 13.7-170.1 -93.4 129.4 33.0 33.6 -5.5 75 71 A Y - 0 0 55 3,-2.9 3,-0.2 -2,-0.5 -36,-0.0 -0.548 44.1 -95.9-105.7 175.8 31.3 35.8 -2.9 76 72 A T S S+ 0 0 107 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.868 125.1 29.2 -52.8 -36.2 28.0 37.8 -2.9 77 73 A Q S S- 0 0 158 1,-0.1 -1,-0.3 35,-0.0 34,-0.0 -0.975 126.6 -19.9-130.1 113.7 30.4 40.6 -3.8 78 74 A G - 0 0 21 -2,-0.4 -3,-2.9 -3,-0.2 2,-0.3 -0.037 59.6-128.7 86.6 173.0 33.6 39.9 -5.7 79 75 A A E -HI 74 110A 11 31,-1.9 31,-2.8 -5,-0.2 2,-0.3 -0.981 13.7-164.7-158.9 157.0 35.7 36.8 -6.3 80 76 A W E -HI 73 109A 1 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.4 -0.978 7.4-152.6-144.6 158.7 39.3 35.6 -6.0 81 77 A A E +HI 72 108A 33 27,-2.6 26,-2.0 -2,-0.3 27,-1.8 -0.967 30.9 134.7-126.3 146.7 41.5 32.8 -7.2 82 78 A G E -HI 71 106A 9 -11,-2.5 -11,-2.4 -2,-0.4 2,-0.4 -0.935 47.9 -75.9-168.1-167.4 44.6 31.4 -5.5 83 79 A E E -HI 70 105A 44 22,-1.9 22,-2.8 -2,-0.3 -13,-0.2 -0.902 37.4-129.2-113.3 137.1 46.7 28.5 -4.3 84 80 A L E + I 0 104A 4 -15,-3.2 -17,-2.2 -2,-0.4 -16,-0.5 -0.577 43.2 134.4 -83.6 145.7 46.0 26.4 -1.3 85 81 A G E -HI 66 103A 0 18,-1.3 18,-2.8 -19,-0.3 2,-0.3 -0.927 43.6-112.6-164.2-175.3 48.7 25.7 1.4 86 82 A T E +HI 65 102A 19 -21,-2.2 -21,-2.7 -2,-0.3 2,-0.3 -0.973 33.2 160.5-130.9 150.7 49.2 25.6 5.1 87 83 A D E - I 0 101A 0 14,-1.8 14,-2.3 -2,-0.3 2,-0.3 -0.966 45.9 -81.4-155.4 168.2 51.4 27.9 7.3 88 84 A L E - I 0 100A 60 -2,-0.3 -63,-2.6 12,-0.2 2,-0.4 -0.609 48.2-173.3 -74.7 138.2 51.7 28.9 11.0 89 85 A V E +DI 24 99A 2 10,-2.8 10,-2.5 -2,-0.3 2,-0.3 -0.997 11.1 172.1-138.4 133.3 49.3 31.6 12.0 90 86 A S E -D 23 0A 30 -67,-2.5 -67,-2.9 -2,-0.4 8,-0.1 -0.919 28.4-137.2-132.3 162.3 48.9 33.6 15.2 91 87 A I > - 0 0 7 4,-0.6 3,-2.3 6,-0.5 6,-0.2 -0.942 15.3-159.5-119.4 101.0 46.7 36.5 16.2 92 88 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.839 94.1 35.5 -56.4 -36.0 49.0 38.9 18.2 93 89 A H T 3 S+ 0 0 92 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.081 119.5 61.3-105.5 32.0 46.1 40.7 19.9 94 90 A G S < S- 0 0 14 -3,-2.3 -87,-0.1 1,-0.4 72,-0.1 -0.305 102.9 -16.4-127.9-145.8 44.1 37.5 20.1 95 91 A P - 0 0 10 0, 0.0 2,-1.7 0, 0.0 -4,-0.6 -0.238 64.2-114.9 -67.0 152.7 44.6 34.1 21.8 96 92 A N S S+ 0 0 170 -3,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.550 82.1 94.3 -87.1 70.6 48.1 33.2 23.0 97 93 A V - 0 0 38 -2,-1.7 -6,-0.5 -6,-0.2 2,-0.4 -0.945 60.3-142.9-150.0 164.4 48.5 30.2 20.6 98 94 A T - 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