==== 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 2OHT . 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) . 16812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.2 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 . 4 1.1 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 10.9 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 . 23 6.1 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 2 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 1 2 1 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 . 3 2 4 3 2 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 -1 A F >> 0 0 95 0, 0.0 3,-2.1 0, 0.0 4,-1.0 0.000 360.0 360.0 360.0 25.8 65.8 61.6 -16.0 2 0 A V T 34 + 0 0 117 1,-0.3 3,-0.0 2,-0.2 171,-0.0 0.765 360.0 69.3 -57.0 -30.1 69.1 60.5 -17.6 3 1 A E T 34 S+ 0 0 115 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.880 106.0 39.3 -47.9 -40.1 70.7 62.8 -15.1 4 2 A M T X4 S+ 0 0 6 -3,-2.1 3,-1.8 165,-0.1 163,-0.6 0.664 85.5 111.8 -94.1 -18.9 69.7 60.2 -12.4 5 3 A V T 3< S+ 0 0 51 -4,-1.0 161,-0.1 1,-0.3 160,-0.0 -0.275 90.5 10.9 -58.6 140.6 70.3 56.9 -14.2 6 4 A D T 3 S+ 0 0 90 149,-0.1 -1,-0.3 1,-0.1 160,-0.2 0.651 85.2 133.9 65.0 19.4 73.2 55.0 -12.6 7 5 A N < + 0 0 16 -3,-1.8 12,-0.6 84,-0.1 2,-0.4 0.370 51.7 81.2 -82.6 5.0 73.3 57.4 -9.6 8 6 A L E +AB 18 165A 0 157,-2.1 157,-1.7 10,-0.1 2,-0.3 -0.908 53.1 172.9-113.5 143.2 73.6 54.5 -7.1 9 7 A R E +AB 17 164A 151 8,-2.1 8,-3.0 -2,-0.4 2,-0.3 -0.820 7.5 142.0-135.6 174.9 76.6 52.5 -6.1 10 8 A G E -AB 16 163A 1 153,-1.0 153,-1.8 -2,-0.3 2,-0.3 -0.984 41.8-100.7 174.3 179.9 77.5 49.8 -3.5 11 9 A K E > - B 0 162A 57 4,-0.7 3,-2.2 -2,-0.3 4,-0.2 -0.957 58.4 -80.7-124.9 149.4 79.4 46.7 -2.7 12 10 A S T 3 S+ 0 0 34 149,-2.2 291,-0.2 -2,-0.3 150,-0.0 -0.272 117.3 1.3 -53.4 117.6 77.7 43.2 -2.6 13 11 A G T 3 S+ 0 0 35 -2,-0.1 -1,-0.3 289,-0.1 212,-0.1 0.211 110.8 91.4 88.4 -14.4 75.9 43.0 0.7 14 12 A Q S < S- 0 0 35 -3,-2.2 -2,-0.1 1,-0.3 98,-0.1 0.132 91.9-117.1 -97.7 18.3 76.8 46.5 1.9 15 13 A G - 0 0 16 -4,-0.2 -4,-0.7 -5,-0.1 2,-0.4 0.056 31.0 -70.3 77.0 174.4 73.7 48.2 0.5 16 14 A Y E -A 10 0A 8 206,-0.4 17,-3.2 17,-0.3 2,-0.3 -0.898 47.3-168.4-109.1 138.7 73.1 50.9 -2.2 17 15 A Y E -AC 9 32A 23 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.3 -0.924 10.3-154.3-131.5 153.4 74.1 54.5 -1.6 18 16 A V E -AC 8 31A 2 13,-2.7 13,-3.2 -2,-0.3 2,-0.4 -0.878 28.0-108.6-123.1 151.2 73.5 57.8 -3.3 19 17 A E E + C 0 30A 67 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.675 42.6 173.0 -82.3 131.4 75.6 60.9 -3.2 20 18 A M E - C 0 29A 0 9,-3.0 9,-2.9 -2,-0.4 2,-0.4 -0.911 23.3-141.3-129.9 160.3 74.1 63.8 -1.3 21 19 A T E -DC 88 28A 19 67,-2.7 67,-2.3 -2,-0.3 2,-0.3 -0.974 17.5-173.3-119.5 143.0 75.2 67.2 -0.2 22 20 A V E > +DC 87 27A 0 5,-2.2 5,-3.4 -2,-0.4 65,-0.2 -0.973 43.8 7.9-132.1 146.2 74.4 68.8 3.2 23 21 A G T 5S- 0 0 7 63,-1.9 4,-0.1 -2,-0.3 36,-0.1 0.098 89.7 -49.8 79.8 171.5 75.0 72.3 4.6 24 22 A S T 5S+ 0 0 26 2,-0.1 36,-2.3 1,-0.1 37,-0.3 -0.991 131.8 32.7-127.4 116.7 76.3 75.6 3.1 25 23 A P T 5S- 0 0 93 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 0.611 121.2-102.2 -68.6 162.7 78.8 75.3 1.6 26 24 A P T 5 - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.319 29.7-155.9 -63.3 127.0 77.8 71.8 0.5 27 25 A Q E < -C 22 0A 27 -5,-3.4 -5,-2.2 -4,-0.1 2,-0.4 -0.919 17.9-135.9 -97.5 123.9 79.4 68.8 2.2 28 26 A T E +C 21 0A 63 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.660 31.2 167.9 -81.2 129.0 79.3 65.7 0.0 29 27 A L E -C 20 0A 2 -9,-2.9 -9,-3.0 -2,-0.4 2,-0.5 -0.977 34.7-126.4-136.2 150.9 78.4 62.4 1.7 30 28 A N E -C 19 0A 18 -2,-0.3 88,-2.8 -11,-0.2 89,-0.6 -0.905 33.1-164.5 -97.3 130.5 77.4 58.9 0.4 31 29 A I E -Ce 18 119A 1 -13,-3.2 -13,-2.7 -2,-0.5 89,-0.3 -0.959 20.2-121.0-129.8 121.8 74.1 57.9 1.9 32 30 A L E -Ce 17 120A 17 87,-2.5 89,-3.3 -2,-0.4 2,-0.7 -0.369 27.0-131.4 -59.3 130.4 72.5 54.4 2.1 33 31 A V E + e 0 121A 1 -17,-3.2 2,-0.5 87,-0.2 -17,-0.3 -0.777 32.9 177.5 -91.7 112.9 69.2 54.3 0.3 34 32 A D E > + e 0 122A 17 87,-2.5 89,-2.7 -2,-0.7 3,-1.0 -0.883 27.2 177.1-131.1 104.2 66.6 52.7 2.7 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.4 1,-0.2 185,-0.2 0.466 82.5 67.5 -81.2 -1.3 62.9 52.2 2.0 36 34 A G T 3 S+ 0 0 13 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.287 101.4 42.6-101.0 11.2 62.6 50.3 5.4 37 35 A S < - 0 0 29 -3,-1.0 87,-2.9 84,-0.2 86,-0.2 -0.936 62.0-146.7-147.4 168.4 63.3 53.3 7.7 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.243 62.2 98.5-127.0 10.3 62.3 57.0 7.9 39 37 A N - 0 0 15 89,-0.1 83,-1.3 98,-0.1 2,-0.7 -0.850 57.2-147.4-101.7 140.7 65.3 58.8 9.4 40 38 A F E +F 121 0A 6 -2,-0.4 62,-2.6 81,-0.2 2,-0.4 -0.942 35.8 168.3 -96.6 109.9 67.9 60.8 7.5 41 39 A A E -Fg 120 102A 0 79,-2.0 79,-2.9 -2,-0.7 2,-0.4 -0.989 12.3-175.5-134.3 128.5 71.0 60.2 9.8 42 40 A V E -Fg 119 103A 0 60,-2.5 62,-2.5 -2,-0.4 77,-0.3 -0.995 34.5-100.9-133.7 142.3 74.6 60.9 9.0 43 41 A G E + g 0 104A 1 75,-3.4 11,-3.1 -2,-0.4 62,-0.1 -0.283 38.2 173.3 -54.5 130.9 77.9 60.3 10.7 44 42 A A + 0 0 16 60,-2.0 12,-0.2 9,-0.3 -1,-0.1 0.157 56.7 56.5-132.8 16.5 79.0 63.6 12.4 45 43 A A S S- 0 0 38 59,-0.2 2,-2.7 10,-0.1 5,-0.1 -0.960 97.5 -90.3-143.4 155.5 82.1 62.5 14.4 46 44 A P + 0 0 93 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.322 48.7 174.8 -74.1 64.6 85.4 60.8 13.2 47 45 A H > - 0 0 58 -2,-2.7 3,-1.6 1,-0.1 59,-0.0 -0.547 38.7-123.5 -59.6 133.4 84.4 57.2 13.7 48 46 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.713 106.3 58.4 -60.6 -27.1 87.5 55.4 12.2 49 47 A F T 3 S+ 0 0 72 64,-0.1 65,-0.4 62,-0.0 2,-0.4 0.592 90.2 96.4 -72.8 -14.0 85.5 53.4 9.6 50 48 A L < - 0 0 23 -3,-1.6 68,-0.1 1,-0.1 66,-0.1 -0.667 53.2-166.8 -93.0 133.4 84.2 56.6 8.0 51 49 A H S S+ 0 0 110 -2,-0.4 2,-0.3 64,-0.2 -1,-0.1 0.805 81.4 8.1 -72.7 -36.5 85.7 58.3 4.9 52 50 A R - 0 0 73 -22,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.914 64.0-169.3-142.3 158.6 83.6 61.5 5.5 53 51 A Y - 0 0 72 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.3 -0.975 34.5 -96.9-151.2 157.5 81.3 63.0 8.2 54 52 A Y - 0 0 3 -11,-3.1 2,-0.8 -2,-0.3 3,-0.1 -0.595 30.7-160.8 -72.5 124.7 79.0 65.9 8.5 55 53 A Q > - 0 0 57 -2,-0.4 3,-2.2 1,-0.1 4,-0.1 -0.841 5.7-171.7-114.0 91.5 80.6 68.9 10.2 56 54 A R G > S+ 0 0 44 -2,-0.8 3,-1.3 1,-0.3 6,-0.2 0.711 79.4 68.8 -55.6 -24.2 77.8 71.1 11.4 57 55 A Q G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.656 94.2 56.2 -71.9 -20.1 80.3 73.8 12.4 58 56 A L G < S+ 0 0 100 -3,-2.2 2,-0.6 1,-0.1 -1,-0.3 0.285 90.9 92.0 -94.5 11.0 81.1 74.5 8.7 59 57 A S X - 0 0 13 -3,-1.3 3,-0.9 1,-0.2 -36,-0.1 -0.910 51.3-168.2-119.1 113.9 77.5 75.2 7.8 60 58 A S T 3 S+ 0 0 105 -36,-2.3 -1,-0.2 -2,-0.6 -4,-0.0 0.874 94.2 50.0 -51.9 -41.9 75.8 78.7 7.8 61 59 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 25,-0.1 23,-0.1 0.505 80.0 118.8 -89.5 -4.8 72.4 77.1 7.3 62 60 A Y < - 0 0 50 -3,-0.9 2,-0.4 -6,-0.2 23,-0.2 -0.341 41.9-167.8 -62.7 140.7 72.6 74.4 10.1 63 61 A R E -H 84 0A 148 21,-2.5 21,-2.0 -2,-0.0 2,-0.2 -0.963 15.2-136.1-137.5 121.7 69.9 74.7 12.9 64 62 A D E -H 83 0A 83 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.484 9.3-166.2 -76.8 136.8 70.0 72.9 16.2 65 63 A L E - 0 0 80 17,-2.6 18,-0.2 2,-0.2 -1,-0.1 0.349 33.1-132.5-101.7 -3.1 66.7 71.4 17.3 66 64 A R E + 0 0 220 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.908 68.0 107.5 55.0 50.9 68.1 70.8 20.8 67 65 A K E -H 82 0A 108 15,-0.5 15,-3.2 2,-0.0 2,-0.2 -0.965 57.1-136.9-158.7 144.7 66.8 67.2 21.0 68 66 A G E -H 81 0A 48 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.613 6.2-152.4-105.5 161.8 68.5 63.8 20.8 69 67 A V E -H 80 0A 7 11,-2.3 11,-2.3 -2,-0.2 2,-0.4 -0.991 4.3-168.5-133.6 137.6 67.6 60.5 19.1 70 68 A Y E -H 79 0A 127 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.929 5.9-174.3-131.2 108.5 68.5 57.0 20.3 71 69 A V E -H 78 0A 22 7,-3.3 7,-1.6 -2,-0.4 2,-0.1 -0.795 7.2-177.4-111.9 90.2 67.9 54.3 17.7 72 70 A P E +H 77 0A 79 0, 0.0 5,-0.3 0, 0.0 2,-0.3 -0.428 8.0 162.0 -79.9 160.2 68.5 50.8 19.1 73 71 A Y E > -H 76 0A 89 3,-2.3 3,-1.4 -2,-0.1 2,-0.3 -0.885 53.9 -41.6-158.2-173.2 68.3 47.5 17.1 74 72 A T T 3 S- 0 0 140 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 -0.456 124.1 -16.0 -69.8 121.4 69.5 43.9 17.4 75 73 A Q T 3 S+ 0 0 129 -2,-0.3 2,-0.3 1,-0.1 -1,-0.3 0.614 132.4 43.4 56.1 22.5 73.2 43.9 18.8 76 74 A G E < -H 73 0A 11 -3,-1.4 -3,-2.3 2,-0.0 2,-0.3 -0.961 54.3-174.3-167.2-171.9 73.6 47.6 17.9 77 75 A K E -HI 72 108A 22 31,-2.1 31,-3.0 -2,-0.3 2,-0.3 -0.974 14.1-143.4-171.5 164.8 72.5 51.2 17.8 78 76 A W E -HI 71 107A 13 -7,-1.6 -7,-3.3 -2,-0.3 2,-0.3 -0.968 17.2-176.7-136.2 154.9 73.1 54.8 16.7 79 77 A E E +HI 70 106A 52 27,-2.9 26,-2.3 -2,-0.3 27,-1.8 -0.985 12.0 151.1-139.7 155.0 72.3 58.0 18.5 80 78 A G E -HI 69 104A 5 -11,-2.3 -11,-2.3 -2,-0.3 2,-0.4 -0.934 41.4 -80.8-162.3-171.0 72.6 61.6 17.6 81 79 A E E -HI 68 103A 81 22,-2.3 22,-3.0 -2,-0.3 2,-0.4 -0.893 40.0-130.3-110.4 132.8 71.6 65.2 17.8 82 80 A L E +HI 67 102A 5 -15,-3.2 -17,-2.6 -2,-0.4 -15,-0.5 -0.672 43.5 130.9 -86.3 133.1 68.6 66.6 15.8 83 81 A G E -HI 64 101A 3 18,-1.8 18,-1.9 -2,-0.4 2,-0.3 -0.799 43.1-117.7-146.2-164.3 68.8 69.7 13.7 84 82 A T E +HI 63 100A 17 -21,-2.0 -21,-2.5 -2,-0.2 2,-0.3 -0.944 32.0 157.2-136.3 165.1 67.9 70.8 10.2 85 83 A D E - I 0 99A 0 14,-1.4 14,-2.1 -2,-0.3 2,-0.4 -0.948 47.3 -67.7-171.2 178.5 70.0 72.1 7.3 86 84 A L E - I 0 98A 51 -2,-0.3 -63,-1.9 12,-0.2 2,-0.4 -0.703 49.6-171.9 -89.3 128.3 70.0 72.4 3.5 87 85 A V E +DI 22 97A 1 10,-3.3 10,-2.4 -2,-0.4 2,-0.3 -0.953 8.6 171.9-128.3 139.2 70.1 69.2 1.5 88 86 A S E -DI 21 96A 26 -67,-2.3 -67,-2.7 -2,-0.4 8,-0.1 -0.949 27.7-136.8-144.1 161.6 70.6 68.4 -2.1 89 87 A I > - 0 0 7 4,-0.5 3,-2.2 6,-0.5 -69,-0.2 -0.859 11.3-160.4-122.3 96.2 71.1 65.5 -4.5 90 88 A P T 3 S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.864 95.9 37.7 -42.2 -52.6 73.7 66.3 -7.2 91 89 A H T 3 S+ 0 0 94 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.247 116.9 64.7 -96.9 45.8 72.5 63.4 -9.4 92 90 A G S < S- 0 0 9 -3,-2.2 76,-0.1 -2,-0.3 -72,-0.0 -0.609 102.7 -26.3-140.0-155.9 68.9 64.0 -8.5 93 91 A P - 0 0 17 0, 0.0 2,-2.2 0, 0.0 -4,-0.5 -0.304 65.6-112.5 -65.5 147.2 66.3 66.7 -9.0 94 92 A N S S+ 0 0 168 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.420 80.7 101.4 -82.1 68.0 67.8 70.2 -9.3 95 93 A V - 0 0 48 -2,-2.2 -6,-0.5 -6,-0.1 2,-0.4 -0.878 58.7-141.3-140.9 165.3 66.4 71.5 -6.0 96 94 A T E - 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