==== 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 2WF4 . 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) . 16209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 67.2 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 . 114 30.6 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 . 43 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.7 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 . 2 4 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 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.5 3.8 -6.4 26.3 2 63 A M > + 0 0 40 159,-0.0 3,-1.1 162,-0.0 160,-0.6 0.575 360.0 110.6 -95.8 -13.1 6.8 -4.5 27.7 3 64 A V T 3 S+ 0 0 68 1,-0.3 158,-0.1 158,-0.1 160,-0.0 -0.382 86.0 10.6 -62.6 139.3 6.9 -6.6 30.9 4 65 A D T 3 S+ 0 0 82 149,-0.1 -1,-0.3 1,-0.1 157,-0.2 0.841 83.1 134.5 59.9 37.3 10.0 -8.9 31.1 5 66 A N < + 0 0 17 -3,-1.1 12,-0.6 84,-0.1 2,-0.4 0.396 50.6 82.5 -94.5 3.3 11.7 -7.3 28.1 6 67 A L E +AB 16 160A 0 154,-2.5 154,-1.3 10,-0.1 2,-0.3 -0.869 52.2 169.3-106.8 142.6 15.0 -7.1 29.9 7 68 A R E +AB 15 159A 106 8,-2.1 8,-3.2 -2,-0.4 2,-0.3 -0.875 9.9 131.6-134.5 171.1 17.6 -9.8 30.3 8 69 A G E -AB 14 158A 5 150,-1.3 150,-2.9 -2,-0.3 2,-0.4 -0.970 48.1 -88.9 171.0-176.9 21.2 -10.1 31.5 9 70 A K > - 0 0 85 4,-0.7 3,-2.5 -2,-0.3 4,-0.2 -0.969 56.4 -88.4-117.2 140.9 23.8 -11.8 33.6 10 71 A S T 3 S+ 0 0 26 -2,-0.4 288,-0.1 1,-0.3 210,-0.0 -0.145 112.4 8.4 -46.2 128.8 24.5 -10.8 37.2 11 72 A G T 3 S+ 0 0 25 209,-0.1 -1,-0.3 1,-0.1 209,-0.2 0.465 113.6 84.0 81.4 1.0 27.1 -8.1 37.4 12 73 A Q S < S- 0 0 53 -3,-2.5 -2,-0.2 1,-0.3 98,-0.1 0.229 96.1-101.8-123.5 12.0 27.1 -7.5 33.6 13 74 A G - 0 0 11 -4,-0.2 -4,-0.7 -5,-0.1 2,-0.4 -0.062 31.5 -86.6 93.4 165.3 24.2 -5.2 33.0 14 75 A Y E -A 8 0A 9 17,-0.4 17,-3.0 203,-0.3 2,-0.3 -0.941 41.9-163.4-113.7 138.1 20.6 -5.5 31.8 15 76 A Y E -AC 7 30A 25 -8,-3.2 -8,-2.1 -2,-0.4 2,-0.3 -0.902 11.0-154.9-128.3 152.6 19.8 -5.3 28.1 16 77 A V E -AC 6 29A 0 13,-2.7 13,-2.8 -2,-0.3 2,-0.3 -0.881 31.3-106.3-119.6 150.7 16.8 -4.8 25.9 17 78 A E E + C 0 28A 65 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.615 45.4 167.5 -79.9 135.3 16.3 -6.0 22.3 18 79 A M E - C 0 27A 0 9,-2.7 9,-2.8 -2,-0.3 2,-0.4 -0.924 24.9-141.6-135.6 162.6 16.5 -3.3 19.6 19 80 A T E -DC 86 26A 12 67,-2.1 67,-1.9 -2,-0.3 2,-0.4 -0.971 14.8-169.6-121.8 148.0 16.8 -3.2 15.9 20 81 A V E > +DC 85 25A 1 5,-2.0 5,-2.2 -2,-0.4 65,-0.2 -0.996 45.7 11.7-133.0 142.4 18.8 -0.7 13.9 21 82 A G T 5S- 0 0 3 63,-2.4 4,-0.1 -2,-0.4 36,-0.1 -0.095 88.3 -52.6 91.8 172.0 18.9 -0.1 10.1 22 83 A S T 5S+ 0 0 30 1,-0.1 36,-2.2 2,-0.1 37,-0.4 -0.967 130.6 33.3-134.6 117.2 16.7 -1.0 7.2 23 84 A P T 5S- 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.557 121.3-103.6 -65.3 158.9 16.2 -3.9 6.9 24 85 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.279 29.7-157.1 -62.4 130.1 16.3 -4.2 10.7 25 86 A Q E < -C 20 0A 29 -5,-2.2 -5,-2.0 -4,-0.1 2,-0.3 -0.949 18.0-135.4-106.5 120.9 19.3 -5.7 12.3 26 87 A T E +C 19 0A 54 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.577 31.8 165.9 -82.8 130.9 18.6 -7.1 15.8 27 88 A L E -C 18 0A 3 -9,-2.8 -9,-2.7 -2,-0.3 2,-0.5 -0.987 36.3-123.3-140.0 149.5 21.0 -6.3 18.6 28 89 A N E -C 17 0A 23 -2,-0.3 88,-3.1 -11,-0.2 89,-1.0 -0.847 32.9-162.9 -94.0 128.6 20.9 -6.6 22.4 29 90 A I E -Ce 16 117A 1 -13,-2.8 -13,-2.7 -2,-0.5 89,-0.3 -0.951 16.8-126.1-124.8 123.6 21.5 -3.2 24.0 30 91 A L E -Ce 15 118A 11 87,-2.9 89,-3.3 -2,-0.5 2,-0.6 -0.449 25.2-128.1 -68.2 133.4 22.5 -2.5 27.6 31 92 A V E - e 0 119A 2 -17,-3.0 2,-0.5 87,-0.2 -17,-0.4 -0.733 32.5-179.5 -87.6 116.2 20.2 -0.0 29.4 32 93 A D E > + e 0 120A 7 87,-2.4 89,-2.9 -2,-0.6 3,-1.0 -0.879 25.7 175.8-129.8 102.5 22.4 2.7 30.9 33 94 A T T 3 S+ 0 0 0 -2,-0.5 154,-0.5 1,-0.2 182,-0.2 0.470 81.3 69.8 -79.3 0.8 20.9 5.6 32.9 34 95 A G T 3 S+ 0 0 12 152,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.196 102.0 34.9-105.8 15.6 24.5 6.7 33.6 35 96 A S < - 0 0 9 -3,-1.0 87,-3.2 84,-0.1 92,-0.1 -0.917 61.9-144.2-151.7 179.8 25.5 7.8 30.1 36 97 A S + 0 0 3 -2,-0.3 2,-0.4 90,-0.3 100,-0.2 0.233 62.4 99.7-138.8 12.0 23.8 9.5 27.1 37 98 A N - 0 0 4 98,-0.1 83,-1.2 89,-0.1 2,-0.6 -0.891 57.8-145.3-105.3 135.2 25.3 7.9 23.9 38 99 A F E +F 119 0A 9 -2,-0.4 62,-2.3 81,-0.2 2,-0.3 -0.884 35.7 164.3 -93.4 121.9 23.6 5.2 21.9 39 100 A A E -Fg 118 100A 0 79,-2.5 79,-3.3 -2,-0.6 2,-0.3 -1.000 18.5-172.4-145.6 141.2 26.4 3.0 20.6 40 101 A V E -Fg 117 101A 0 60,-2.3 62,-2.8 -2,-0.3 77,-0.3 -0.971 38.3 -95.4-133.9 147.3 26.6 -0.5 19.0 41 102 A G E + g 0 102A 0 75,-3.2 11,-3.2 -2,-0.3 62,-0.1 -0.390 41.5 174.4 -54.9 136.7 29.5 -2.8 18.1 42 103 A A + 0 0 9 60,-2.3 12,-0.2 9,-0.3 -1,-0.1 0.182 58.4 43.3-138.0 11.8 30.0 -2.2 14.3 43 104 A A S S- 0 0 30 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.962 99.1 -74.0-149.3 161.4 33.1 -4.3 13.7 44 105 A P + 0 0 101 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.289 50.7 171.1 -58.3 139.1 34.2 -7.8 14.7 45 106 A H > - 0 0 55 3,-0.3 3,-2.0 1,-0.1 59,-0.0 -0.981 43.3-115.4-147.2 146.7 35.3 -8.3 18.3 46 107 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.814 116.7 41.8 -52.3 -34.5 36.1 -11.5 20.2 47 108 A F T 3 S+ 0 0 70 64,-0.1 2,-0.6 65,-0.0 66,-0.3 0.358 93.9 97.7 -99.1 4.5 33.2 -11.0 22.6 48 109 A L < - 0 0 20 -3,-2.0 -3,-0.3 1,-0.1 3,-0.1 -0.852 48.4-171.6 -96.9 123.1 30.7 -9.8 20.0 49 110 A H S S- 0 0 134 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.722 78.8 -7.6 -78.8 -24.2 28.3 -12.5 18.7 50 111 A R - 0 0 89 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.961 68.3-161.0-162.4 166.9 27.1 -10.0 16.1 51 112 A Y - 0 0 70 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.3 -0.985 34.0 -79.2-157.6 164.2 27.4 -6.4 15.2 52 113 A Y - 0 0 1 -11,-3.2 2,-0.8 -2,-0.3 -31,-0.1 -0.482 34.9-158.9 -71.0 125.7 25.9 -3.5 13.2 53 114 A Q > - 0 0 65 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.824 8.5-175.4-110.1 93.2 26.7 -3.6 9.5 54 115 A R G > S+ 0 0 58 -2,-0.8 3,-1.9 1,-0.3 6,-0.3 0.829 79.5 64.8 -58.1 -34.7 26.2 -0.1 8.1 55 116 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.740 99.9 54.1 -63.3 -21.5 26.8 -1.2 4.5 56 117 A L G < S+ 0 0 98 -3,-1.8 2,-0.6 1,-0.0 -1,-0.3 0.471 92.1 85.1 -92.1 -3.5 23.6 -3.3 4.7 57 118 A S X - 0 0 10 -3,-1.9 3,-0.7 -4,-0.3 -36,-0.1 -0.892 54.0-169.0-105.8 119.9 21.4 -0.4 5.8 58 119 A S T 3 S+ 0 0 107 -36,-2.2 -1,-0.1 -2,-0.6 -4,-0.0 0.678 90.2 54.4 -76.0 -18.1 19.9 1.8 3.1 59 120 A T T 3 S+ 0 0 30 -37,-0.4 -1,-0.2 25,-0.1 2,-0.1 0.459 80.7 116.6 -96.8 -2.7 18.8 4.3 5.8 60 121 A Y < - 0 0 50 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.434 44.4-168.4 -66.9 137.1 22.2 4.7 7.4 61 122 A R E -H 82 0A 151 21,-2.6 21,-2.3 -2,-0.1 2,-0.3 -0.982 15.0-138.0-130.6 121.9 23.7 8.2 7.2 62 123 A D E -H 81 0A 63 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.601 6.7-162.2 -78.4 132.0 27.3 8.9 8.1 63 124 A L E - 0 0 56 17,-2.4 18,-0.2 -2,-0.3 -1,-0.1 0.460 31.9-131.2 -91.9 -2.1 27.9 12.1 10.1 64 125 A R E + 0 0 216 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.925 69.2 110.8 54.2 52.4 31.6 12.1 9.2 65 126 A K E - 0 0 117 15,-0.4 15,-3.1 2,-0.0 -2,-0.2 -0.948 58.1-139.0-158.0 129.4 32.7 12.6 12.8 66 127 A G E -H 79 0A 43 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.468 17.2-162.9 -87.5 163.5 34.4 10.4 15.2 67 128 A V E -H 78 0A 12 11,-2.3 11,-2.4 -2,-0.1 2,-0.4 -0.996 9.3-160.9-149.1 144.8 33.6 10.0 18.9 68 129 A Y E -H 77 0A 111 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.994 8.6-174.5-126.1 129.9 35.3 8.6 22.0 69 130 A V E -H 76 0A 7 7,-2.5 7,-1.9 -2,-0.4 2,-0.4 -0.959 3.1-168.1-130.2 116.0 33.5 7.6 25.2 70 131 A P E -H 75 0A 42 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.798 6.8-173.4 -94.2 141.5 35.3 6.5 28.4 71 132 A Y - 0 0 54 3,-2.8 3,-0.2 -2,-0.4 -36,-0.0 -0.628 45.3 -96.6-116.0-177.2 33.4 5.0 31.3 72 133 A T S S+ 0 0 105 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.935 123.4 32.0 -63.5 -44.9 34.5 4.0 34.8 73 134 A Q S S- 0 0 139 -3,-0.0 -1,-0.3 35,-0.0 34,-0.1 -0.966 126.7 -14.5-112.6 118.6 34.9 0.5 33.3 74 135 A G - 0 0 16 -2,-0.5 -3,-2.8 -3,-0.2 2,-0.3 0.087 57.7-142.0 86.5 164.9 35.9 0.4 29.7 75 136 A K E -HI 70 106A 87 31,-1.3 31,-2.9 -5,-0.2 2,-0.3 -0.974 11.0-169.4-159.9 160.2 36.0 2.8 26.7 76 137 A W E -HI 69 105A 3 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.3 -0.980 10.6-149.8-148.6 161.1 35.4 2.8 23.0 77 138 A E E +HI 68 104A 81 27,-2.9 26,-2.0 -2,-0.3 27,-1.8 -0.969 29.3 144.9-129.4 152.5 35.8 4.9 19.9 78 139 A G E -HI 67 102A 8 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.4 -0.938 44.6 -80.2-166.1-174.5 33.6 5.0 16.8 79 140 A E E -HI 66 101A 46 22,-1.8 22,-3.0 -2,-0.3 2,-0.2 -0.893 38.8-129.2-109.3 133.1 32.0 6.8 14.0 80 141 A L E + I 0 100A 7 -15,-3.1 -17,-2.4 -2,-0.4 -16,-0.5 -0.560 43.3 136.4 -80.3 142.6 28.8 8.9 14.4 81 142 A G E -HI 62 99A 0 18,-1.6 18,-2.8 -19,-0.3 2,-0.3 -0.909 41.5-115.2-160.4-173.8 25.9 8.4 12.1 82 143 A T E +HI 61 98A 20 -21,-2.3 -21,-2.6 -2,-0.3 2,-0.3 -0.969 33.5 153.3-135.1 154.6 22.1 8.2 12.1 83 144 A D E - I 0 97A 0 14,-1.7 14,-2.5 -2,-0.3 2,-0.3 -0.967 47.7 -72.8-164.8 172.0 19.7 5.4 11.2 84 145 A L E - I 0 96A 44 -2,-0.3 -63,-2.4 12,-0.2 2,-0.4 -0.583 46.9-169.7 -79.9 139.0 16.2 4.0 12.0 85 146 A V E +DI 20 95A 3 10,-3.1 10,-2.4 -2,-0.3 2,-0.3 -0.989 8.7 175.8-133.2 137.1 15.7 2.3 15.4 86 147 A S E -DI 19 94A 27 -67,-1.9 -67,-2.1 -2,-0.4 8,-0.1 -0.872 24.7-140.4-131.4 169.2 12.9 0.3 16.8 87 148 A I > - 0 0 8 4,-0.5 3,-2.5 6,-0.5 -69,-0.2 -0.859 11.5-160.9-132.5 97.4 12.3 -1.7 20.0 88 149 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.796 92.7 33.7 -51.1 -39.6 10.4 -4.9 19.3 89 150 A H T 3 S+ 0 0 99 -72,-0.4 3,-0.1 -84,-0.1 -84,-0.1 -0.075 117.4 61.7-110.4 32.2 9.1 -5.4 22.9 90 151 A G S < S- 0 0 1 -3,-2.5 2,-0.1 1,-0.3 73,-0.1 -0.382 109.3 -25.5-123.8-150.1 8.7 -1.7 23.6 91 152 A P - 0 0 23 0, 0.0 2,-2.0 0, 0.0 -4,-0.5 -0.431 67.4-118.7 -61.9 137.6 6.5 0.9 22.0 92 153 A Q S S+ 0 0 126 -2,-0.1 2,-0.3 -6,-0.1 -6,-0.0 -0.535 72.8 114.0 -83.1 78.2 5.7 -0.0 18.4 93 154 A V - 0 0 45 -2,-2.0 -6,-0.5 -6,-0.2 2,-0.4 -0.924 57.3-135.5-139.8 163.0 7.3 3.0 16.8 94 155 A T E - 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I 0 76A 29 -2,-0.3 2,-0.4 -29,-0.3 -29,-0.3 -0.991 22.0-150.0-155.7 159.5 37.2 -0.6 22.2 106 167 A D E S- I 0 75A 75 -31,-2.9 -31,-1.3 -2,-0.3 -2,-0.0 -0.917 79.2 -25.0-140.7 111.6 39.1 -1.5 25.4 107 168 A K S S+ 0 0 163 -2,-0.4 -31,-0.1 -33,-0.2 3,-0.0 0.801 106.2 108.1 60.0 31.4 37.7 -3.5 28.3 108 169 A F + 0 0 13 -33,-0.2 -32,-0.1 -34,-0.2 -1,-0.1 0.854 59.8 60.8 -99.9 -64.6 34.2 -2.5 27.3 109 170 A F S S- 0 0 11 1,-0.1 2,-0.5 7,-0.1 -2,-0.1 -0.387 80.6-136.5 -66.6 145.4 32.5 -5.6 25.8 110 171 A I - 0 0 37 5,-0.2 3,-0.3 -63,-0.2 4,-0.3 -0.906 20.0-106.9-114.7 129.1 32.3 -8.5 28.3 111 172 A Q S S- 0 0 145 -2,-0.5 -64,-0.1 1,-0.2 -63,-0.1 -0.294 102.6 -3.0 -54.3 121.3 33.1 -12.1 27.4 112 173 A G S S+ 0 0 28 -65,-0.2 -1,-0.2 1,-0.1 -64,-0.1 0.988 88.9 127.1 52.9 78.2 29.7 -13.9 27.3 113 174 A S - 0 0 2 -3,-0.3 -104,-0.2 -66,-0.3 -2,-0.1 0.489 63.0-133.3-127.3 -24.6 27.3 -11.1 28.3 114 175 A N + 0 0 56 -4,-0.3 2,-0.3 -67,-0.3 -86,-0.2 0.399 69.1 106.2 82.4 0.9 24.9 -11.3 25.3 115 176 A W - 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