==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-08 2ZHS . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.SHIMIZU,N.NUKINA . 370 3 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 29.7 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 . 2 0.5 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 . 2 0.5 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 . 45 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 1 0 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 3 4 3 3 3 1 0 0 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 92 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 -29.5 64.8 62.2 -14.6 2 0 A V T 34 + 0 0 112 1,-0.3 3,-0.1 2,-0.2 171,-0.0 0.748 360.0 59.3 -60.4 -25.3 67.9 61.3 -16.6 3 1 A E T 34 S+ 0 0 104 1,-0.2 -1,-0.3 89,-0.0 0, 0.0 0.787 105.8 49.4 -73.0 -26.5 70.0 63.4 -14.2 4 2 A M T X4 S+ 0 0 4 -3,-1.2 3,-1.1 165,-0.0 163,-0.7 0.609 87.7 112.2 -85.8 -14.8 68.8 61.1 -11.4 5 3 A V T 3< S+ 0 0 53 -4,-0.8 161,-0.1 1,-0.3 -3,-0.0 -0.206 84.4 10.4 -58.3 149.7 69.6 58.0 -13.4 6 4 A D T 3 S+ 0 0 80 1,-0.1 -1,-0.3 149,-0.1 160,-0.2 0.814 85.4 138.8 48.0 37.7 72.5 55.8 -12.1 7 5 A N < + 0 0 12 -3,-1.1 12,-0.5 84,-0.1 2,-0.4 0.228 48.0 76.9 -95.2 13.1 72.5 57.9 -8.9 8 6 A L E +AB 18 165A 1 157,-2.0 157,-1.5 10,-0.1 2,-0.2 -0.975 54.4 174.7-125.3 139.9 73.0 55.0 -6.5 9 7 A R E +AB 17 164A 97 8,-2.1 8,-2.5 -2,-0.4 2,-0.3 -0.767 11.0 132.5-131.6 177.1 76.1 53.0 -5.8 10 8 A G E -AB 16 163A 0 153,-0.9 153,-1.8 -2,-0.2 2,-0.4 -0.991 47.7 -87.7 166.4-172.8 77.2 50.3 -3.5 11 9 A K E > - B 0 162A 94 4,-0.8 3,-3.1 -2,-0.3 151,-0.2 -0.994 55.0 -94.6-133.0 123.2 79.0 47.0 -2.8 12 10 A S T 3 S+ 0 0 40 149,-2.3 213,-0.0 -2,-0.4 -2,-0.0 0.012 111.8 17.8 -36.1 131.8 77.1 43.7 -3.2 13 11 A G T 3 S+ 0 0 34 212,-0.1 -1,-0.3 211,-0.1 212,-0.2 0.134 113.7 74.2 88.9 -22.2 75.7 42.6 0.2 14 12 A Q S < S- 0 0 41 -3,-3.1 -2,-0.1 1,-0.2 98,-0.1 0.007 96.5-111.0-116.8 31.7 76.0 46.0 1.8 15 13 A G - 0 0 24 -5,-0.1 -4,-0.8 -4,-0.1 2,-0.3 0.262 31.1 -72.6 70.5 168.8 73.2 48.0 0.3 16 14 A Y E -A 10 0A 12 206,-0.4 17,-2.5 17,-0.3 2,-0.3 -0.805 42.6-167.0-103.1 142.4 72.7 51.0 -2.1 17 15 A Y E -AC 9 32A 20 -8,-2.5 -8,-2.1 -2,-0.3 2,-0.4 -0.929 8.7-151.7-131.0 155.1 73.5 54.6 -1.2 18 16 A V E -AC 8 31A 2 13,-2.7 13,-2.8 -2,-0.3 2,-0.2 -0.948 27.4-109.1-124.0 145.0 72.8 58.0 -2.7 19 17 A E E + C 0 30A 65 -12,-0.5 72,-0.4 -2,-0.4 2,-0.3 -0.519 43.0 169.4 -75.4 137.0 74.8 61.2 -2.3 20 18 A M E - C 0 29A 1 9,-2.7 9,-2.6 -2,-0.2 2,-0.4 -0.894 24.3-141.4-139.8 167.9 73.3 64.0 -0.2 21 19 A T E -DC 88 28A 21 67,-1.9 67,-1.7 -2,-0.3 2,-0.4 -0.999 15.7-169.8-136.4 135.5 74.4 67.3 1.3 22 20 A V E > +DC 87 27A 1 5,-2.1 5,-2.6 -2,-0.4 65,-0.2 -0.960 44.3 2.1-128.0 144.1 73.4 68.6 4.7 23 21 A G T 5S- 0 0 5 63,-1.7 36,-0.1 -2,-0.4 4,-0.1 0.031 90.6 -40.8 78.1 176.3 73.9 72.0 6.3 24 22 A S T 5S+ 0 0 34 2,-0.1 36,-2.4 0, 0.0 37,-0.3 -0.981 133.9 29.5-128.5 116.6 75.3 75.4 5.1 25 23 A P T 5S- 0 0 98 0, 0.0 2,-0.2 0, 0.0 36,-0.1 0.627 119.8-107.7 -62.1 166.6 77.8 75.2 3.5 26 24 A P T 5 - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.488 29.1-150.0 -72.6 137.3 76.5 71.8 2.3 27 25 A Q E < -C 22 0A 34 -5,-2.6 -5,-2.1 -2,-0.2 2,-0.4 -0.897 16.5-128.8-104.6 133.2 78.4 68.8 3.7 28 26 A T E +C 21 0A 51 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.713 34.2 165.2 -89.1 132.0 78.6 65.8 1.4 29 27 A L E -C 20 0A 4 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.6 -0.994 34.2-129.7-143.6 146.1 77.5 62.3 2.7 30 28 A N E -C 19 0A 13 -2,-0.3 88,-2.8 -11,-0.2 89,-1.2 -0.857 31.7-163.5 -95.7 125.1 76.7 59.0 1.2 31 29 A I E -Ce 18 119A 0 -13,-2.8 -13,-2.7 -2,-0.6 89,-0.3 -0.939 18.7-125.4-121.4 129.5 73.4 57.7 2.5 32 30 A L E -Ce 17 120A 25 87,-3.4 89,-3.7 -2,-0.5 2,-0.8 -0.397 24.0-133.5 -62.6 137.4 71.9 54.2 2.4 33 31 A V E + e 0 121A 5 -17,-2.5 2,-0.6 87,-0.2 -17,-0.3 -0.866 31.5 178.0 -97.3 108.8 68.5 54.2 0.9 34 32 A D E > + e 0 122A 23 87,-2.3 89,-2.0 -2,-0.8 3,-1.1 -0.888 23.0 178.9-119.7 102.8 66.4 52.0 3.3 35 33 A T T 3 S+ 0 0 0 -2,-0.6 157,-0.5 1,-0.2 185,-0.2 0.372 81.2 71.3 -78.7 6.9 62.7 51.6 2.5 36 34 A G T 3 S+ 0 0 11 155,-0.1 2,-0.2 88,-0.1 -1,-0.2 0.557 101.0 35.6 -97.9 -10.7 62.6 49.4 5.6 37 35 A S < - 0 0 22 -3,-1.1 87,-2.9 84,-0.2 92,-0.1 -0.788 65.5-140.0-133.1 177.4 63.0 52.2 8.2 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.2 100,-0.2 0.278 62.3 97.1-129.5 14.2 61.9 55.8 8.7 39 37 A N - 0 0 9 98,-0.1 83,-2.0 89,-0.1 2,-0.8 -0.840 57.2-145.0-109.8 145.3 64.8 57.8 10.2 40 38 A F E +F 121 0A 8 -2,-0.4 62,-2.3 81,-0.2 2,-0.4 -0.920 38.3 163.8-103.1 103.5 67.3 60.1 8.4 41 39 A A E -Fg 120 102A 0 79,-1.8 79,-2.7 -2,-0.8 2,-0.3 -0.993 14.9-177.4-129.0 131.8 70.4 59.5 10.6 42 40 A V E -Fg 119 103A 0 60,-2.3 62,-2.6 -2,-0.4 77,-0.2 -0.941 36.8-100.4-127.0 147.1 74.0 60.3 9.7 43 41 A G E + g 0 104A 1 75,-2.7 11,-3.1 -2,-0.3 62,-0.2 -0.449 36.5 178.0 -64.0 135.9 77.2 59.7 11.6 44 42 A A + 0 0 5 60,-3.0 -1,-0.1 9,-0.3 12,-0.1 0.052 57.6 57.9-128.9 24.8 78.3 62.9 13.3 45 43 A A S S- 0 0 30 59,-0.2 2,-2.6 7,-0.1 5,-0.1 -0.984 96.7 -88.1-152.9 150.2 81.4 61.8 15.2 46 44 A P + 0 0 92 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.260 51.0 170.0 -59.0 60.1 84.8 60.2 14.2 47 45 A H > - 0 0 56 -2,-2.6 3,-2.2 1,-0.1 5,-0.0 -0.616 42.6-120.8 -73.1 134.9 83.8 56.5 14.3 48 46 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.711 108.0 56.6 -50.5 -27.9 86.8 54.6 12.8 49 47 A F T 3 S+ 0 0 73 64,-0.1 65,-0.4 69,-0.0 2,-0.2 0.616 88.6 100.1 -82.3 -9.0 84.8 53.0 9.9 50 48 A L < - 0 0 25 -3,-2.2 3,-0.1 1,-0.1 68,-0.1 -0.549 56.3-162.0 -81.6 138.7 83.6 56.3 8.7 51 49 A H S S- 0 0 121 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.760 82.7 -17.8 -82.3 -29.0 85.2 58.1 5.7 52 50 A R - 0 0 80 -7,-0.1 -1,-0.3 65,-0.1 2,-0.3 -0.946 67.2-149.7-164.0 171.0 83.5 61.3 6.9 53 51 A Y - 0 0 68 -2,-0.3 -9,-0.3 -3,-0.1 2,-0.2 -0.992 30.5 -88.3-154.1 156.8 80.7 62.5 9.2 54 52 A Y - 0 0 0 -11,-3.1 2,-0.6 -2,-0.3 3,-0.1 -0.472 32.8-160.1 -68.0 130.1 78.2 65.3 9.7 55 53 A Q > - 0 0 59 -2,-0.2 3,-2.2 1,-0.2 4,-0.2 -0.775 9.6-177.2-118.3 83.5 79.6 68.2 11.7 56 54 A R G > S+ 0 0 56 -2,-0.6 3,-3.5 1,-0.3 6,-0.3 0.881 77.6 68.7 -39.2 -57.9 76.6 70.1 13.1 57 55 A Q G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.690 100.3 48.8 -38.1 -31.3 78.9 72.8 14.6 58 56 A L G < S+ 0 0 103 -3,-2.2 2,-0.7 1,-0.1 -1,-0.3 0.340 88.3 94.2 -99.9 7.9 79.8 74.0 11.1 59 57 A S X - 0 0 10 -3,-3.5 3,-1.7 -4,-0.2 -36,-0.1 -0.867 54.3-165.1-104.4 107.7 76.3 74.3 9.7 60 58 A S T 3 S+ 0 0 107 -36,-2.4 -1,-0.1 -2,-0.7 -3,-0.0 0.650 93.6 52.0 -62.8 -12.4 74.9 77.8 10.0 61 59 A T T 3 S+ 0 0 27 -37,-0.3 -1,-0.3 -36,-0.1 -38,-0.1 0.477 83.1 112.5-102.8 -5.2 71.5 76.2 9.2 62 60 A Y < - 0 0 40 -3,-1.7 2,-0.3 -6,-0.3 23,-0.2 -0.324 45.8-166.9 -67.4 152.2 71.6 73.5 11.8 63 61 A R E -H 84 0A 147 21,-1.7 21,-1.0 -2,-0.0 2,-0.1 -0.867 16.1-137.3-146.2 107.7 69.1 73.6 14.7 64 62 A D E -H 83 0A 69 -2,-0.3 19,-0.3 19,-0.2 18,-0.0 -0.406 5.3-157.1 -63.9 132.9 69.5 71.4 17.8 65 63 A L E - 0 0 76 17,-2.3 18,-0.2 2,-0.2 -1,-0.1 0.216 30.2-129.9 -95.6 14.9 66.1 70.0 18.8 66 64 A R E S+ 0 0 211 16,-0.3 2,-0.3 1,-0.1 17,-0.1 0.856 74.0 109.9 37.2 48.7 67.4 69.5 22.3 67 65 A K E - 0 0 80 15,-0.4 15,-3.0 2,-0.0 -2,-0.2 -0.967 56.9-146.0-152.3 132.3 66.1 65.9 22.1 68 66 A G E -H 81 0A 44 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.440 8.1-151.6 -95.3 171.6 67.9 62.6 21.9 69 67 A V E -H 80 0A 9 11,-1.9 11,-1.9 -2,-0.1 2,-0.4 -0.992 5.8-165.6-148.3 138.3 67.0 59.4 20.1 70 68 A Y E -H 79 0A 128 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.988 3.4-175.5-126.6 129.0 67.8 55.7 20.7 71 69 A V E -H 78 0A 2 7,-2.6 7,-1.3 -2,-0.4 2,-0.1 -0.826 10.8-168.9-129.4 93.4 67.3 53.0 18.1 72 70 A P E -H 77 0A 59 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.397 1.6-168.7 -80.7 157.3 68.0 49.4 19.3 73 71 A Y - 0 0 101 3,-2.5 36,-0.0 -2,-0.1 -2,-0.0 -0.653 49.0 -74.8-129.1-174.3 68.3 46.3 17.1 74 72 A T S S- 0 0 150 -2,-0.2 3,-0.0 1,-0.1 0, 0.0 0.822 124.9 -13.6 -56.3 -32.4 68.5 42.5 17.8 75 73 A Q S S+ 0 0 154 33,-0.1 -1,-0.1 34,-0.1 2,-0.1 0.501 131.6 46.2-141.0 -28.8 72.1 43.0 19.0 76 74 A G + 0 0 7 33,-0.2 -3,-2.5 34,-0.0 2,-0.3 -0.156 55.6 174.0-105.6-159.6 73.3 46.5 17.9 77 75 A K E -HI 72 108A 36 31,-2.4 31,-2.7 -5,-0.3 2,-0.3 -0.931 20.3-134.2 169.0 169.5 72.0 50.1 17.9 78 76 A W E -HI 71 107A 5 -7,-1.3 -7,-2.6 -2,-0.3 2,-0.3 -0.985 17.4-175.8-145.0 149.4 72.7 53.7 17.3 79 77 A E E +HI 70 106A 62 27,-2.6 26,-2.2 -2,-0.3 27,-1.4 -0.966 16.6 132.6-143.7 156.6 72.0 56.8 19.3 80 78 A G E -HI 69 104A 9 -11,-1.9 -11,-1.9 -2,-0.3 2,-0.3 -0.992 48.7 -58.5 178.3-176.0 72.3 60.5 18.8 81 79 A E E -HI 68 103A 47 22,-1.5 22,-2.8 -2,-0.3 -13,-0.2 -0.684 42.7-133.1 -92.5 140.7 71.0 64.1 18.9 82 80 A L E + I 0 102A 2 -15,-3.0 -17,-2.3 -2,-0.3 -15,-0.4 -0.553 44.8 121.8 -88.3 155.3 67.9 65.2 17.1 83 81 A G E -HI 64 101A 0 18,-0.7 18,-2.0 -19,-0.3 2,-0.3 -0.948 45.6-110.9 178.9-164.0 67.8 68.4 15.0 84 82 A T E +HI 63 100A 15 -21,-1.0 -21,-1.7 -2,-0.3 2,-0.3 -0.969 27.5 165.4-150.7 161.6 67.1 69.7 11.6 85 83 A D E - I 0 99A 0 14,-1.5 14,-1.9 -2,-0.3 2,-0.4 -0.968 48.4 -72.7-170.1 163.7 69.1 71.2 8.7 86 84 A L E - I 0 98A 54 -2,-0.3 -63,-1.7 12,-0.2 2,-0.3 -0.563 53.5-168.1 -71.4 121.8 68.8 72.0 5.0 87 85 A V E +DI 22 97A 1 10,-4.0 10,-2.2 -2,-0.4 2,-0.3 -0.818 11.3 170.1-112.8 152.2 69.0 68.8 3.1 88 86 A S E -DI 21 96A 25 -67,-1.7 -67,-1.9 -2,-0.3 8,-0.1 -0.980 29.9-136.2-153.9 161.1 69.5 68.2 -0.6 89 87 A I > - 0 0 6 6,-0.5 3,-2.5 4,-0.5 -69,-0.2 -0.869 14.3-155.6-125.7 97.0 70.1 65.4 -3.1 90 88 A P T 3 S+ 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.858 96.2 34.6 -34.1 -58.6 72.7 66.5 -5.7 91 89 A H T 3 S+ 0 0 98 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.177 114.6 68.1 -97.1 42.0 71.5 64.0 -8.3 92 90 A G S < S- 0 0 5 -3,-2.5 76,-0.1 1,-0.3 -87,-0.1 -0.432 103.6 -24.8-132.1-153.0 67.8 64.1 -7.3 93 91 A P - 0 0 17 0, 0.0 2,-2.9 0, 0.0 -4,-0.5 -0.360 68.2-111.8 -63.5 144.3 65.2 66.9 -7.6 94 92 A N S S+ 0 0 170 -3,-0.1 2,-0.2 -6,-0.1 -3,-0.0 -0.232 82.5 105.5 -73.2 56.3 66.7 70.4 -7.7 95 93 A V - 0 0 40 -2,-2.9 -6,-0.5 -6,-0.2 2,-0.3 -0.738 54.9-150.4-127.8 177.2 65.3 71.2 -4.3 96 94 A T E + I 0 88A 81 -2,-0.2 2,-0.3 -8,-0.1 -8,-0.2 -0.972 18.7 179.8-149.4 132.0 66.4 71.7 -0.7 97 95 A V E - 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