==== 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 2OHS . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.PATEL . 374 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 29.1 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 . 45 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.2 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 1 1 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 3 2 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 -1 A F > 0 0 90 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -20.6 64.2 61.5 -14.6 2 0 A V T 4 + 0 0 133 1,-0.2 3,-0.3 2,-0.2 168,-0.0 0.896 360.0 53.8 -57.1 -39.7 67.2 61.2 -17.0 3 1 A E T 4 S+ 0 0 106 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.659 110.7 45.3 -71.8 -19.9 69.1 63.1 -14.3 4 2 A M T >4 S+ 0 0 4 -3,-0.4 3,-1.8 2,-0.0 160,-0.6 0.609 85.0 111.8 -95.1 -16.2 68.0 60.5 -11.6 5 3 A V T 3< S+ 0 0 53 -4,-1.3 158,-0.1 -3,-0.3 -3,-0.0 -0.373 88.2 11.3 -61.3 135.0 68.8 57.5 -13.7 6 4 A D T 3 S+ 0 0 82 149,-0.1 -1,-0.3 1,-0.1 157,-0.2 0.689 83.8 136.0 70.1 24.9 71.8 55.6 -12.2 7 5 A N < + 0 0 18 -3,-1.8 12,-0.6 84,-0.1 2,-0.4 0.344 50.0 81.0 -85.5 9.4 71.8 57.7 -8.9 8 6 A L E -AB 18 162A 0 154,-2.4 154,-1.4 10,-0.1 2,-0.3 -0.900 56.8-169.0-114.3 146.7 72.3 54.6 -6.7 9 7 A R E +A 17 0A 115 8,-2.0 8,-2.8 -2,-0.4 2,-0.2 -0.915 40.1 43.4-130.0 156.0 75.5 52.8 -5.9 10 8 A G E S-A 16 0A 24 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.715 70.2 -79.7 116.0-161.7 76.3 49.5 -4.1 11 9 A K E > -A 15 0A 100 4,-1.0 4,-1.4 -2,-0.2 3,-0.4 -0.876 36.8-103.4-140.7 162.6 75.1 45.8 -4.0 12 10 A S T 4 S+ 0 0 7 -2,-0.3 313,-0.2 1,-0.2 314,-0.1 0.726 116.6 66.0 -61.6 -23.7 72.2 43.9 -2.4 13 11 A G T 4 S+ 0 0 30 1,-0.2 -1,-0.2 2,-0.1 209,-0.2 0.903 120.5 13.8 -65.7 -47.7 74.9 42.6 0.1 14 12 A Q T 4 S- 0 0 49 -3,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.319 117.1-107.8-111.9 4.9 75.6 46.0 1.8 15 13 A G E < -A 11 0A 9 -4,-1.4 -4,-1.0 17,-0.1 2,-0.4 -0.120 32.1 -77.6 88.9 170.0 72.6 47.9 0.4 16 14 A Y E -A 10 0A 1 17,-0.4 17,-3.2 203,-0.4 2,-0.3 -0.887 44.4-160.5-110.1 136.8 72.0 50.6 -2.2 17 15 A Y E -AC 9 32A 37 -8,-2.8 -8,-2.0 -2,-0.4 2,-0.4 -0.911 10.4-156.7-128.3 154.7 72.8 54.3 -1.4 18 16 A V E -AC 8 31A 0 13,-2.2 13,-2.2 -2,-0.3 2,-0.3 -0.930 29.1-111.8-121.6 141.2 71.9 57.7 -2.8 19 17 A E E + C 0 30A 63 -12,-0.6 72,-0.4 -2,-0.4 2,-0.3 -0.561 40.4 176.6 -71.9 135.9 73.9 60.9 -2.4 20 18 A M E - C 0 29A 0 9,-2.8 9,-2.8 -2,-0.3 2,-0.4 -0.934 21.8-144.0-132.9 156.8 72.3 63.5 -0.2 21 19 A T E -DC 88 28A 23 67,-2.7 67,-2.2 -2,-0.3 2,-0.4 -0.996 17.7-170.7-120.3 133.3 73.3 66.9 1.0 22 20 A V E > -DC 87 27A 0 5,-2.5 5,-2.4 -2,-0.4 65,-0.2 -0.955 43.2 -2.1-121.6 141.0 72.4 68.1 4.5 23 21 A G T 5S- 0 0 7 63,-2.4 4,-0.1 -2,-0.4 36,-0.1 -0.014 88.4 -42.2 82.4-176.4 72.8 71.5 6.0 24 22 A S T 5S+ 0 0 31 2,-0.2 36,-2.6 1,-0.1 37,-0.3 -0.974 130.1 28.7-142.7 112.0 74.2 74.9 4.9 25 23 A P T 5S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 0.640 120.8-103.0 -69.8 161.4 76.7 75.0 3.5 26 24 A P T 5 - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.288 29.3-155.3 -66.0 138.0 75.9 71.5 2.1 27 25 A Q E < -C 22 0A 28 -5,-2.4 -5,-2.5 -4,-0.1 2,-0.4 -0.970 17.5-137.2-110.5 128.6 77.5 68.4 3.6 28 26 A T E +C 21 0A 67 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.761 30.5 167.6 -96.5 127.7 77.6 65.5 1.1 29 27 A L E -C 20 0A 2 -9,-2.8 -9,-2.8 -2,-0.4 2,-0.5 -0.961 34.4-127.1-137.5 152.8 76.7 62.0 2.4 30 28 A N E -C 19 0A 18 -2,-0.3 88,-2.8 -11,-0.2 89,-0.5 -0.893 31.6-165.8 -99.1 130.8 75.9 58.5 1.1 31 29 A I E -Ce 18 119A 0 -13,-2.2 -13,-2.2 -2,-0.5 89,-0.3 -0.975 22.0-120.4-131.5 125.2 72.7 57.2 2.5 32 30 A L E -Ce 17 120A 14 87,-2.8 89,-3.0 -2,-0.4 2,-0.7 -0.374 26.5-132.3 -59.3 132.1 71.3 53.7 2.4 33 31 A V E + e 0 121A 1 -17,-3.2 2,-0.5 87,-0.2 -17,-0.4 -0.862 34.7 177.7 -90.7 113.5 67.9 53.6 0.7 34 32 A D E > + e 0 122A 14 87,-2.3 89,-2.2 -2,-0.7 3,-0.9 -0.898 26.3 178.2-131.4 104.8 65.7 51.6 3.0 35 33 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.6 1,-0.2 182,-0.2 0.402 80.2 69.6 -83.2 0.6 62.0 50.9 2.4 36 34 A G T 3 S+ 0 0 14 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.222 101.5 41.8 -99.9 11.6 61.8 48.8 5.6 37 35 A S < - 0 0 29 -3,-0.9 87,-3.0 84,-0.2 92,-0.1 -0.957 62.9-146.3-151.2 168.9 62.2 51.7 8.0 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.3 0.363 61.0 98.2-127.6 4.9 61.0 55.3 8.4 39 37 A N - 0 0 8 89,-0.1 83,-1.3 98,-0.1 2,-0.8 -0.780 58.7-143.8 -95.9 139.2 63.8 57.4 10.0 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.3 81,-0.2 2,-0.4 -0.907 39.4 166.4 -90.1 107.2 66.3 59.6 8.2 41 39 A A E -Fg 120 102A 0 79,-2.5 79,-2.9 -2,-0.8 2,-0.4 -0.990 15.3-175.3-136.2 129.2 69.4 59.0 10.4 42 40 A V E -Fg 119 103A 0 60,-2.0 62,-3.2 -2,-0.4 77,-0.3 -0.918 37.1 -98.9-124.7 140.5 73.0 59.9 9.7 43 41 A G E + g 0 104A 1 75,-3.6 11,-3.1 -2,-0.4 62,-0.2 -0.399 37.9 178.0 -50.9 128.0 76.3 59.2 11.4 44 42 A A + 0 0 11 60,-2.9 12,-0.2 9,-0.2 -1,-0.1 0.040 59.7 54.2-124.2 20.2 77.1 62.4 13.3 45 43 A A S S- 0 0 33 59,-0.2 2,-3.3 10,-0.1 5,-0.1 -0.987 96.5 -93.1-155.7 153.1 80.3 61.3 15.0 46 44 A P + 0 0 91 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.230 47.4 172.8 -74.3 61.0 83.6 59.8 13.8 47 45 A H > - 0 0 56 -2,-3.3 3,-1.9 1,-0.1 -2,-0.0 -0.477 43.0-118.2 -56.9 134.1 82.8 56.1 14.2 48 46 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.707 109.0 59.7 -55.7 -26.1 85.9 54.4 12.6 49 47 A F T 3 S+ 0 0 69 64,-0.1 65,-0.3 62,-0.0 2,-0.3 0.618 88.0 99.3 -75.9 -11.1 84.0 52.7 9.7 50 48 A L < - 0 0 23 -3,-1.9 3,-0.1 1,-0.1 68,-0.1 -0.619 49.5-171.3 -90.1 132.0 82.7 56.1 8.4 51 49 A H S S+ 0 0 111 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.859 82.7 9.5 -75.9 -42.2 84.2 58.0 5.4 52 50 A R - 0 0 79 -22,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.886 67.7-174.1-133.8 157.6 82.0 61.0 6.1 53 51 A Y - 0 0 75 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.979 33.3 -94.1-150.8 166.9 79.7 62.1 8.9 54 52 A Y - 0 0 1 -11,-3.1 2,-0.8 -2,-0.3 3,-0.1 -0.658 24.4-162.0 -83.9 124.8 77.3 65.0 9.7 55 53 A Q > - 0 0 89 -2,-0.4 3,-1.7 1,-0.2 4,-0.2 -0.857 8.5-174.4-107.8 89.5 78.7 67.9 11.6 56 54 A R G > S+ 0 0 63 -2,-0.8 3,-1.9 1,-0.3 6,-0.3 0.843 77.6 59.4 -51.7 -44.0 75.5 69.6 12.8 57 55 A Q G 3 S+ 0 0 164 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.538 97.4 58.9 -73.5 -11.2 77.2 72.5 14.3 58 56 A L G < S+ 0 0 110 -3,-1.7 2,-0.6 -33,-0.0 -1,-0.3 0.416 89.2 89.9 -91.3 0.3 78.7 73.6 11.0 59 57 A S X - 0 0 10 -3,-1.9 3,-1.2 -4,-0.2 -36,-0.1 -0.870 60.0-162.9-101.5 116.7 75.2 73.9 9.5 60 58 A S T 3 S+ 0 0 104 -36,-2.6 -1,-0.1 -2,-0.6 -3,-0.1 0.644 93.0 51.9 -67.1 -14.4 73.6 77.3 9.9 61 59 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 -5,-0.1 2,-0.2 0.413 81.1 117.1-106.3 -0.9 70.2 75.8 9.2 62 60 A Y < - 0 0 25 -3,-1.2 2,-0.4 -6,-0.3 23,-0.2 -0.496 44.6-166.7 -66.9 137.4 70.4 73.0 11.8 63 61 A R E -H 84 0A 148 21,-2.4 21,-1.9 -2,-0.2 2,-0.3 -0.975 15.8-137.8-127.6 115.5 67.8 73.2 14.5 64 62 A D E -H 83 0A 72 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.567 7.2-162.1 -67.9 124.9 68.1 71.0 17.6 65 63 A L E - 0 0 82 17,-2.1 18,-0.2 -2,-0.3 -1,-0.2 0.387 33.5-130.7 -83.7 -0.8 64.7 69.5 18.5 66 64 A R E + 0 0 215 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.929 69.8 109.9 54.2 51.5 66.2 68.8 22.0 67 65 A K E - 0 0 92 15,-0.5 15,-3.0 2,-0.0 -2,-0.2 -0.938 57.9-139.2-158.1 131.6 65.0 65.3 22.0 68 66 A G E -H 81 0A 44 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.457 11.2-153.2 -87.1 163.7 66.9 62.0 21.8 69 67 A V E -H 80 0A 9 11,-2.2 11,-2.4 -2,-0.1 2,-0.4 -0.977 5.3-166.8-133.2 152.9 66.0 58.8 19.8 70 68 A Y E -H 79 0A 123 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.982 4.2-177.2-145.7 121.3 66.9 55.2 20.5 71 69 A V E -H 78 0A 2 7,-2.7 7,-2.1 -2,-0.4 2,-0.3 -0.957 9.3-170.4-126.3 107.0 66.4 52.4 18.0 72 70 A P E -H 77 0A 65 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.743 5.9-172.0 -96.9 150.7 67.3 48.8 19.0 73 71 A Y - 0 0 118 3,-1.8 3,-0.1 -2,-0.3 -2,-0.0 -0.640 49.1 -80.4-116.5-176.8 67.6 45.7 17.0 74 72 A T S S+ 0 0 153 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.902 126.0 10.2 -49.5 -51.7 68.1 42.1 18.2 75 73 A Q S S+ 0 0 149 34,-0.1 -1,-0.2 33,-0.1 2,-0.2 0.277 131.9 9.5-120.7 10.1 71.8 42.3 18.7 76 74 A G - 0 0 13 -3,-0.1 -3,-1.8 33,-0.1 2,-0.3 -0.697 55.1-155.5-157.3-153.3 72.5 46.1 18.3 77 75 A K E -HI 72 108A 23 31,-2.6 31,-3.6 -5,-0.3 2,-0.3 -0.945 15.0-131.4 177.5 164.2 71.3 49.7 18.0 78 76 A W E -HI 71 107A 5 -7,-2.1 -7,-2.7 -2,-0.3 2,-0.3 -0.952 25.5-176.2-128.3 158.6 71.7 53.3 17.0 79 77 A E E +HI 70 106A 62 27,-2.2 26,-1.9 -2,-0.3 27,-1.6 -0.977 15.9 118.9-149.2 151.2 71.1 56.3 19.2 80 78 A G E -HI 69 104A 8 -11,-2.4 -11,-2.2 -2,-0.3 2,-0.4 -0.985 49.2 -53.9 175.2-163.3 71.1 60.0 18.8 81 79 A E E -HI 68 103A 41 22,-2.0 22,-3.0 -2,-0.3 2,-0.3 -0.878 39.5-135.2-113.3 134.0 69.8 63.6 18.7 82 80 A L E + I 0 102A 2 -15,-3.0 -17,-2.1 -2,-0.4 -16,-0.5 -0.641 39.9 135.8 -89.8 144.1 66.7 64.8 16.8 83 81 A G E -HI 64 101A 1 18,-1.6 18,-2.8 -2,-0.3 2,-0.3 -0.925 42.6-114.1-162.8-176.4 66.8 68.0 14.8 84 82 A T E +HI 63 100A 17 -21,-1.9 -21,-2.4 -2,-0.3 2,-0.3 -0.951 32.8 159.9-128.6 153.4 65.8 69.4 11.5 85 83 A D E - I 0 99A 0 14,-1.9 14,-2.4 -2,-0.3 2,-0.3 -0.964 46.4 -79.9-159.3 168.3 67.9 70.8 8.6 86 84 A L E - I 0 98A 55 -2,-0.3 -63,-2.4 12,-0.2 2,-0.3 -0.633 50.5-168.2 -75.2 131.3 67.7 71.5 4.9 87 85 A V E +DI 22 97A 0 10,-3.2 10,-1.8 -2,-0.3 2,-0.3 -0.885 11.3 174.2-126.5 151.4 68.1 68.4 2.8 88 86 A S E -D 21 0A 26 -67,-2.2 -67,-2.7 -2,-0.3 8,-0.1 -0.977 28.3-139.3-151.2 164.7 68.7 67.7 -0.9 89 87 A I > - 0 0 8 4,-0.5 3,-2.3 6,-0.4 -69,-0.2 -0.900 15.0-155.7-127.5 93.2 69.4 64.9 -3.3 90 88 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.819 98.3 36.3 -39.6 -43.1 72.0 66.2 -5.9 91 89 A H T 3 S+ 0 0 93 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.355 113.4 72.4-109.1 48.6 70.7 63.6 -8.4 92 90 A G S < S- 0 0 5 -3,-2.3 73,-0.0 1,-0.3 -89,-0.0 -0.524 100.1 -33.9-133.5-159.3 67.1 63.9 -7.4 93 91 A P - 0 0 18 0, 0.0 2,-1.8 0, 0.0 -4,-0.5 -0.267 64.7-106.3 -66.8 160.4 64.5 66.5 -7.9 94 92 A N S S+ 0 0 167 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.481 82.9 101.8 -92.0 63.6 65.6 70.1 -7.9 95 93 A V - 0 0 43 -2,-1.8 -6,-0.4 -6,-0.1 2,-0.4 -0.943 58.0-142.6-140.8 161.3 64.2 71.0 -4.5 96 94 A T - 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