==== 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 02-APR-09 2WF0 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.CHARRIER,B.CLARKE,L.CUTLER,E.DEMONT,C.DINGWALL,R.DUNSDON, . 372 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16178.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 68.0 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 . 113 30.4 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 . 3 0.8 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 . 46 12.4 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 . 24 6.5 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+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 . 3 3 4 2 3 4 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 62 A E 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.2 3.7 -6.1 25.7 2 63 A M > + 0 0 37 159,-0.0 3,-1.4 2,-0.0 160,-0.6 0.599 360.0 110.4 -95.6 -14.6 6.7 -4.3 27.2 3 64 A V T 3 S+ 0 0 67 1,-0.3 158,-0.1 158,-0.1 160,-0.0 -0.391 87.5 10.9 -62.9 135.8 6.7 -6.4 30.4 4 65 A D T 3 S+ 0 0 83 149,-0.1 -1,-0.3 1,-0.1 157,-0.2 0.760 83.8 134.7 66.9 27.7 9.7 -8.7 30.7 5 66 A N < + 0 0 15 -3,-1.4 12,-0.5 84,-0.1 2,-0.4 0.378 51.6 82.1 -87.7 5.5 11.4 -7.1 27.7 6 67 A L E +AB 16 160A 0 154,-2.5 154,-1.3 10,-0.1 2,-0.3 -0.882 52.5 171.7-109.0 144.2 14.7 -7.0 29.6 7 68 A R E +AB 15 159A 106 8,-2.1 8,-3.0 -2,-0.4 2,-0.3 -0.872 9.3 140.9-134.4 171.4 17.3 -9.9 29.9 8 69 A G E -AB 14 158A 5 150,-1.5 150,-3.2 -2,-0.3 2,-0.4 -0.968 46.9 -96.8 175.6 175.4 20.8 -10.1 31.3 9 70 A K > - 0 0 85 4,-0.7 3,-2.4 -2,-0.3 4,-0.2 -0.974 58.7 -91.1-112.2 136.5 23.4 -12.1 33.2 10 71 A S T 3 S+ 0 0 25 -2,-0.4 288,-0.1 1,-0.3 4,-0.0 -0.128 110.7 7.7 -47.9 130.3 23.7 -11.0 36.9 11 72 A G T 3 S+ 0 0 21 1,-0.1 -1,-0.3 209,-0.1 209,-0.1 0.504 113.8 85.1 79.1 3.9 26.4 -8.3 37.3 12 73 A Q S < S- 0 0 57 -3,-2.4 -2,-0.2 1,-0.3 98,-0.1 0.236 97.7 -92.6-124.6 12.1 26.8 -7.9 33.6 13 74 A G - 0 0 13 -4,-0.2 -4,-0.7 -5,-0.1 2,-0.4 -0.019 31.9 -94.4 99.7 157.3 24.0 -5.4 32.7 14 75 A Y E -A 8 0A 6 17,-0.3 17,-2.7 203,-0.3 2,-0.3 -0.935 41.3-166.1-110.2 137.1 20.4 -5.6 31.5 15 76 A Y E -AC 7 30A 27 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.3 -0.914 13.1-154.6-129.3 153.1 19.6 -5.3 27.8 16 77 A V E -AC 6 29A 0 13,-2.7 13,-2.9 -2,-0.3 2,-0.3 -0.899 30.9-107.5-119.1 148.7 16.7 -4.8 25.5 17 78 A E E + C 0 28A 64 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.597 46.1 165.4 -76.4 135.0 16.3 -5.9 21.9 18 79 A M E - C 0 27A 1 9,-2.7 9,-2.8 -2,-0.3 2,-0.4 -0.919 26.3-138.5-137.4 165.4 16.5 -3.2 19.3 19 80 A T E -DC 86 26A 11 67,-2.3 67,-2.0 -2,-0.3 2,-0.4 -0.976 14.4-166.4-123.3 147.6 17.0 -3.0 15.6 20 81 A V E > +DC 85 25A 1 5,-2.1 5,-2.1 -2,-0.4 65,-0.2 -0.993 46.0 4.2-129.9 141.1 19.1 -0.6 13.6 21 82 A G T 5S- 0 0 4 63,-2.7 4,-0.1 -2,-0.4 36,-0.1 -0.074 88.9 -44.8 88.7 175.7 19.2 0.3 10.0 22 83 A S T 5S+ 0 0 29 2,-0.1 36,-2.2 1,-0.1 37,-0.4 -0.980 130.2 30.8-132.6 118.6 17.3 -0.7 6.9 23 84 A P T 5S- 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.599 120.6-100.6 -66.1 161.8 16.6 -3.5 6.6 24 85 A P T 5 - 0 0 91 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.290 31.4-157.8 -62.5 128.2 16.5 -3.9 10.4 25 86 A Q E < -C 20 0A 30 -5,-2.1 -5,-2.1 -4,-0.1 2,-0.3 -0.936 18.1-135.5-104.3 120.4 19.6 -5.4 12.1 26 87 A T E +C 19 0A 54 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.576 31.7 166.3 -82.1 132.0 18.7 -6.9 15.4 27 88 A L E -C 18 0A 4 -9,-2.8 -9,-2.7 -2,-0.3 2,-0.5 -0.987 36.4-123.5-140.2 149.7 21.0 -6.2 18.4 28 89 A N E -C 17 0A 25 -2,-0.3 88,-3.1 -11,-0.2 89,-1.0 -0.853 33.1-163.3 -93.3 127.3 20.8 -6.6 22.1 29 90 A I E -Ce 16 117A 0 -13,-2.9 -13,-2.7 -2,-0.5 89,-0.3 -0.945 16.6-129.0-123.4 123.2 21.5 -3.2 23.8 30 91 A L E -Ce 15 118A 13 87,-2.8 89,-3.3 -2,-0.5 2,-0.6 -0.472 24.7-130.3 -69.2 131.3 22.4 -2.6 27.4 31 92 A V E - e 0 119A 0 -17,-2.7 2,-0.5 -2,-0.2 -17,-0.3 -0.754 30.2-178.2 -89.9 120.1 20.1 -0.0 29.1 32 93 A D E > + e 0 120A 8 87,-2.5 89,-2.8 -2,-0.6 3,-1.0 -0.896 24.9 177.2-128.7 102.0 22.2 2.6 30.8 33 94 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.5 1,-0.2 182,-0.2 0.508 81.0 71.9 -78.0 -0.8 20.7 5.5 32.8 34 95 A G T 3 S+ 0 0 10 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.304 102.0 31.1 -99.2 8.0 24.3 6.5 33.7 35 96 A S < - 0 0 12 -3,-1.0 87,-3.0 84,-0.2 92,-0.1 -0.912 62.1-139.7-151.3-178.8 25.3 7.8 30.2 36 97 A S + 0 0 3 90,-0.3 2,-0.4 -2,-0.3 100,-0.2 0.308 63.5 99.1-136.0 9.2 23.9 9.5 27.1 37 98 A N - 0 0 6 89,-0.1 83,-1.2 98,-0.1 2,-0.7 -0.854 56.2-147.5-101.1 135.8 25.5 7.9 24.0 38 99 A F E +F 119 0A 8 -2,-0.4 62,-2.6 81,-0.2 2,-0.3 -0.908 35.4 164.3 -94.3 117.4 23.8 5.2 21.9 39 100 A A E -Fg 118 100A 0 79,-2.3 79,-3.0 -2,-0.7 2,-0.4 -0.993 18.1-170.8-140.9 144.9 26.6 3.1 20.6 40 101 A V E -Fg 117 101A 0 60,-2.4 62,-3.0 -2,-0.3 77,-0.3 -0.985 36.8 -97.3-136.3 144.2 26.9 -0.4 19.1 41 102 A G E + g 0 102A 0 75,-3.2 11,-3.0 -2,-0.4 62,-0.1 -0.397 41.5 173.8 -52.9 134.1 29.6 -2.8 18.1 42 103 A A + 0 0 9 60,-2.2 12,-0.2 9,-0.3 -1,-0.1 0.132 57.9 43.7-138.0 15.2 30.2 -2.1 14.4 43 104 A A S S- 0 0 29 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.963 99.2 -71.8-153.3 160.9 33.3 -4.3 13.8 44 105 A P + 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.228 50.4 171.4 -58.6 142.2 34.4 -7.8 14.8 45 106 A H > - 0 0 54 3,-0.3 3,-1.9 -4,-0.1 59,-0.0 -0.978 42.5-117.8-150.5 145.0 35.3 -8.4 18.4 46 107 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.798 116.0 42.9 -55.8 -30.9 36.1 -11.7 20.2 47 108 A F T 3 S+ 0 0 72 64,-0.1 2,-0.6 -3,-0.0 65,-0.3 0.406 94.1 97.4 -97.9 1.0 33.2 -11.2 22.6 48 109 A L < - 0 0 19 -3,-1.9 -3,-0.3 1,-0.2 3,-0.1 -0.828 48.5-171.2 -96.4 122.1 30.7 -10.0 20.0 49 110 A H S S- 0 0 131 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.779 79.2 -7.1 -74.2 -29.2 28.2 -12.5 18.6 50 111 A R - 0 0 87 -7,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.953 67.8-159.9-157.7 168.2 27.1 -10.0 16.0 51 112 A Y - 0 0 78 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.3 -0.985 34.1 -81.0-155.9 163.6 27.6 -6.3 15.1 52 113 A Y - 0 0 2 -11,-3.0 2,-0.8 -2,-0.3 -31,-0.1 -0.512 35.4-158.9 -69.6 123.4 26.1 -3.4 13.2 53 114 A Q > - 0 0 65 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 -0.863 8.4-174.8-108.3 98.2 27.0 -3.5 9.5 54 115 A R G > S+ 0 0 54 -2,-0.8 3,-1.5 1,-0.3 6,-0.3 0.799 79.1 64.8 -65.1 -29.6 26.7 -0.0 8.1 55 116 A Q G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.690 99.6 54.2 -68.7 -17.4 27.3 -1.1 4.5 56 117 A L G < S+ 0 0 98 -3,-1.5 2,-0.6 1,-0.0 -1,-0.3 0.451 92.3 85.5 -94.7 -1.9 24.1 -3.1 4.6 57 118 A S X - 0 0 9 -3,-1.5 3,-0.8 -4,-0.2 -36,-0.1 -0.894 54.2-168.8-107.3 118.5 21.9 -0.2 5.7 58 119 A S T 3 S+ 0 0 109 -36,-2.2 -1,-0.1 -2,-0.6 -4,-0.0 0.677 90.4 54.8 -75.1 -16.8 20.5 2.1 3.0 59 120 A T T 3 S+ 0 0 29 -37,-0.4 -1,-0.2 25,-0.1 2,-0.1 0.495 79.4 117.5 -97.0 -4.6 19.4 4.6 5.7 60 121 A Y < - 0 0 56 -3,-0.8 2,-0.4 -6,-0.3 23,-0.2 -0.402 43.6-169.5 -61.9 134.0 22.8 5.0 7.3 61 122 A R E -H 82 0A 154 21,-2.5 21,-2.4 -2,-0.1 2,-0.3 -0.987 15.6-137.7-128.0 123.8 24.2 8.5 7.2 62 123 A D E -H 81 0A 63 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.584 7.1-162.1 -77.8 136.1 27.8 9.1 8.2 63 124 A L E - 0 0 56 17,-2.4 18,-0.2 -2,-0.3 -1,-0.1 0.432 31.7-130.7 -97.2 -1.0 28.4 12.3 10.3 64 125 A R E + 0 0 218 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.895 69.1 112.0 53.9 47.1 32.1 12.4 9.6 65 126 A K E - 0 0 116 15,-0.5 15,-3.2 2,-0.0 -2,-0.2 -0.971 58.2-138.2-150.5 131.4 33.1 12.7 13.2 66 127 A G E -H 79 0A 42 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.476 17.7-162.3 -85.5 162.1 34.8 10.4 15.6 67 128 A V E -H 78 0A 9 11,-2.4 11,-2.7 -2,-0.1 2,-0.4 -0.997 7.7-165.3-147.4 144.4 33.8 9.9 19.2 68 129 A Y E -H 77 0A 104 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.999 4.6-173.3-132.7 130.0 35.5 8.5 22.3 69 130 A V E -H 76 0A 8 7,-2.5 7,-2.0 -2,-0.4 2,-0.6 -0.941 4.2-170.7-131.1 113.4 33.8 7.4 25.6 70 131 A P E -H 75 0A 48 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.900 13.5-173.1 -95.6 116.7 35.7 6.4 28.7 71 132 A Y - 0 0 51 3,-2.3 3,-0.2 -2,-0.6 -36,-0.0 -0.329 45.6 -93.4 -92.9-177.5 33.4 4.9 31.5 72 133 A T S S+ 0 0 100 1,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.930 123.7 26.9 -59.2 -45.4 34.3 3.9 35.0 73 134 A Q S S- 0 0 142 1,-0.0 -1,-0.3 35,-0.0 -2,-0.1 -0.988 126.1 -8.0-118.6 123.6 34.8 0.5 33.6 74 135 A G - 0 0 17 -2,-0.5 -3,-2.3 -3,-0.2 2,-0.3 0.121 59.1-139.9 85.2 162.3 35.8 0.1 29.9 75 136 A K E -HI 70 106A 82 31,-1.6 31,-2.7 -5,-0.2 2,-0.3 -0.981 10.1-164.4-156.5 154.8 36.1 2.5 27.0 76 137 A W E -HI 69 105A 2 -7,-2.0 -7,-2.5 -2,-0.3 2,-0.4 -0.963 8.7-151.2-141.0 161.6 35.3 2.6 23.3 77 138 A E E +HI 68 104A 88 27,-3.0 26,-2.1 -2,-0.3 27,-1.8 -0.970 31.0 145.7-128.8 143.7 36.1 4.6 20.1 78 139 A G E -HI 67 102A 9 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.4 -0.940 44.0 -91.1-163.9-176.6 33.9 5.0 17.1 79 140 A E E -HI 66 101A 46 22,-1.8 22,-2.8 -2,-0.3 -13,-0.2 -0.938 37.8-127.4-114.2 130.5 32.4 6.9 14.2 80 141 A L E + I 0 100A 5 -15,-3.2 -17,-2.4 -2,-0.4 -16,-0.5 -0.520 43.5 138.6 -77.8 141.7 29.3 9.0 14.5 81 142 A G E -HI 62 99A 1 18,-1.6 18,-2.9 -19,-0.3 2,-0.3 -0.911 39.8-120.1-157.9-177.3 26.4 8.5 12.2 82 143 A T E +HI 61 98A 20 -21,-2.4 -21,-2.5 -2,-0.3 2,-0.3 -0.948 32.8 152.8-131.9 159.1 22.6 8.3 12.2 83 144 A D E - I 0 97A 0 14,-1.7 14,-2.5 -2,-0.3 2,-0.3 -0.969 47.6 -69.7-168.5 173.7 20.1 5.6 11.2 84 145 A L E - I 0 96A 45 -2,-0.3 -63,-2.7 12,-0.2 2,-0.4 -0.593 47.6-170.7 -80.4 138.1 16.7 4.2 11.8 85 146 A V E +DI 20 95A 1 10,-2.9 10,-2.7 -2,-0.3 2,-0.3 -0.985 7.9 177.5-133.2 138.7 16.1 2.5 15.1 86 147 A S E -DI 19 94A 26 -67,-2.0 -67,-2.3 -2,-0.4 8,-0.1 -0.927 23.8-142.6-134.3 163.1 13.2 0.5 16.5 87 148 A I > - 0 0 9 4,-0.5 3,-2.3 6,-0.5 -69,-0.2 -0.884 11.5-162.4-126.3 99.0 12.4 -1.4 19.7 88 149 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.822 91.7 36.7 -53.2 -39.1 10.5 -4.6 18.9 89 150 A H T 3 S+ 0 0 96 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.045 117.1 58.2-107.0 30.9 9.2 -5.1 22.4 90 151 A G S < S- 0 0 1 -3,-2.3 73,-0.1 1,-0.3 -87,-0.0 -0.448 109.0 -23.2-126.9-152.2 8.6 -1.4 23.1 91 152 A P - 0 0 26 0, 0.0 2,-1.9 0, 0.0 -4,-0.5 -0.323 67.4-117.6 -57.3 142.1 6.5 1.3 21.5 92 153 A Q S S+ 0 0 135 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.511 74.1 110.3 -86.7 72.1 5.8 0.4 17.8 93 154 A V - 0 0 46 -2,-1.9 -6,-0.5 -6,-0.2 2,-0.4 -0.849 59.5-133.1-134.4 170.4 7.7 3.4 16.3 94 155 A T E - 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