==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-FEB-08 2VNM . 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, . 374 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16323.0 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 . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 31.0 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 . 1 0.3 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 . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 6.4 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 3 3 2 5 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 0 142 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.9 4.0 -7.0 25.6 2 63 A M > + 0 0 36 164,-0.0 3,-1.2 161,-0.0 162,-0.7 0.618 360.0 108.8 -91.1 -18.3 6.8 -5.0 27.3 3 64 A V T 3 S+ 0 0 72 1,-0.2 160,-0.1 160,-0.1 162,-0.0 -0.375 88.5 9.7 -59.1 139.0 6.7 -7.1 30.5 4 65 A D T 3 S+ 0 0 78 149,-0.1 -1,-0.2 1,-0.1 159,-0.2 0.773 84.6 135.2 60.4 33.0 9.8 -9.4 30.9 5 66 A N < + 0 0 17 -3,-1.2 12,-0.6 84,-0.1 2,-0.4 0.397 50.0 81.8 -90.5 3.4 11.5 -7.8 28.0 6 67 A L E +AB 16 162A 0 156,-2.5 156,-1.0 10,-0.1 2,-0.3 -0.877 51.5 172.0-108.8 141.5 14.8 -7.5 29.9 7 68 A R E +AB 15 161A 106 8,-2.3 8,-3.2 -2,-0.4 2,-0.3 -0.880 9.6 142.9-131.4 169.9 17.5 -10.2 30.4 8 69 A G E -AB 14 160A 4 152,-1.6 152,-1.7 -2,-0.3 2,-0.4 -0.985 42.7-105.0-174.7-176.3 20.9 -10.3 31.8 9 70 A K E > - B 0 159A 64 4,-0.9 3,-2.3 -2,-0.3 4,-0.2 -0.991 53.2 -91.6-125.1 137.7 23.6 -12.0 33.8 10 71 A S T 3 S+ 0 0 25 148,-2.3 290,-0.1 -2,-0.4 212,-0.0 -0.120 111.3 10.1 -44.1 131.5 24.4 -10.8 37.3 11 72 A G T 3 S+ 0 0 26 1,-0.1 -1,-0.3 211,-0.1 211,-0.2 0.427 115.9 82.3 77.7 0.6 27.2 -8.1 37.4 12 73 A Q S < S- 0 0 53 -3,-2.3 -2,-0.2 1,-0.2 98,-0.1 0.299 96.7-106.2-124.3 8.9 27.0 -7.8 33.6 13 74 A G - 0 0 13 -4,-0.2 -4,-0.9 -5,-0.1 2,-0.4 0.001 30.0 -85.9 90.2 164.6 24.0 -5.4 33.1 14 75 A Y E -A 8 0A 14 17,-0.4 17,-2.7 205,-0.3 2,-0.3 -0.904 44.1-164.1-110.4 141.9 20.5 -5.8 31.9 15 76 A Y E -AC 7 30A 25 -8,-3.2 -8,-2.3 -2,-0.4 2,-0.3 -0.916 12.7-154.2-130.8 156.1 19.7 -5.7 28.2 16 77 A V E -AC 6 29A 0 13,-2.4 13,-3.0 -2,-0.3 2,-0.4 -0.901 32.2-104.9-121.2 148.0 16.7 -5.3 25.8 17 78 A E E + C 0 28A 63 -12,-0.6 72,-0.5 -2,-0.3 2,-0.3 -0.594 48.0 167.5 -73.6 131.0 16.3 -6.6 22.3 18 79 A M E - C 0 27A 1 9,-2.9 9,-2.9 -2,-0.4 2,-0.4 -0.899 26.4-139.8-133.0 166.6 16.7 -3.9 19.6 19 80 A T E -DC 86 26A 14 67,-2.4 67,-2.2 -2,-0.3 2,-0.4 -0.979 13.6-168.0-124.3 145.1 17.1 -3.6 15.9 20 81 A V E > +DC 85 25A 1 5,-2.1 5,-2.7 -2,-0.4 65,-0.2 -0.972 49.1 8.2-124.5 144.9 19.3 -1.1 14.0 21 82 A G T 5S- 0 0 6 63,-2.3 36,-0.1 -2,-0.4 4,-0.1 -0.047 88.8 -57.5 86.5 176.4 19.3 -0.3 10.3 22 83 A S T 5S+ 0 0 43 1,-0.2 36,-2.4 2,-0.1 37,-0.5 -0.949 128.6 37.3-143.2 117.6 17.0 -1.2 7.4 23 84 A P T 5S- 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.586 121.1-105.7 -59.5 153.8 16.7 -4.2 6.9 24 85 A P T 5 - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.307 29.0-156.9 -68.5 132.0 16.7 -4.6 10.7 25 86 A Q E < -C 20 0A 30 -5,-2.7 -5,-2.1 -4,-0.1 2,-0.3 -0.955 20.5-132.6-103.4 120.9 19.8 -6.0 12.3 26 87 A T E +C 19 0A 52 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.567 34.0 165.0 -80.6 131.1 18.9 -7.5 15.7 27 88 A L E -C 18 0A 3 -9,-2.9 -9,-2.9 -2,-0.3 2,-0.4 -0.995 36.3-124.8-141.8 146.7 21.2 -6.7 18.6 28 89 A N E -C 17 0A 24 -2,-0.3 88,-2.8 -11,-0.2 89,-1.0 -0.798 31.9-160.7 -89.6 131.2 20.9 -7.0 22.4 29 90 A I E -Ce 16 117A 1 -13,-3.0 -13,-2.4 -2,-0.4 89,-0.3 -0.962 16.3-126.0-127.1 123.6 21.4 -3.6 24.1 30 91 A L E -Ce 15 118A 12 87,-2.7 89,-3.4 -2,-0.5 2,-0.6 -0.419 26.3-128.2 -66.4 130.2 22.4 -2.9 27.7 31 92 A V E - e 0 119A 2 -17,-2.7 2,-0.5 87,-0.2 -17,-0.4 -0.746 32.6-178.1 -83.3 116.9 19.9 -0.4 29.4 32 93 A D E > + e 0 120A 8 87,-2.7 89,-2.9 -2,-0.6 3,-0.9 -0.863 26.5 173.4-128.9 101.7 22.0 2.4 30.9 33 94 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.5 1,-0.2 184,-0.2 0.524 80.0 71.6 -75.6 -5.4 20.4 5.2 32.9 34 95 A G T 3 S+ 0 0 8 154,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.247 102.4 28.6 -97.4 9.7 24.0 6.4 33.8 35 96 A S < - 0 0 10 -3,-0.9 87,-2.8 84,-0.1 92,-0.1 -0.940 63.0-137.9-154.8-178.3 25.0 7.7 30.3 36 97 A S + 0 0 2 90,-0.4 2,-0.5 -2,-0.3 100,-0.2 0.269 63.5 100.5-135.1 10.4 23.5 9.2 27.2 37 98 A N - 0 0 4 89,-0.1 83,-1.0 98,-0.1 2,-0.6 -0.871 56.4-147.2-101.0 132.9 25.1 7.7 24.1 38 99 A F E +F 119 0A 8 -2,-0.5 62,-2.5 81,-0.2 2,-0.4 -0.883 35.7 167.3 -89.6 117.9 23.5 4.9 22.1 39 100 A A E -Fg 118 100A 0 79,-2.4 79,-3.1 -2,-0.6 2,-0.4 -0.997 17.4-171.1-140.4 142.8 26.5 2.8 20.9 40 101 A V E -Fg 117 101A 0 60,-2.7 62,-3.0 -2,-0.4 77,-0.3 -0.980 36.9 -98.6-137.8 142.0 26.8 -0.6 19.2 41 102 A G E + g 0 102A 0 75,-3.2 11,-3.0 -2,-0.4 62,-0.1 -0.415 41.7 174.4 -53.5 130.0 29.6 -2.9 18.4 42 103 A A + 0 0 8 60,-2.5 12,-0.2 9,-0.2 -1,-0.1 0.159 57.6 42.4-131.8 17.1 30.3 -2.2 14.7 43 104 A A S S- 0 0 29 59,-0.3 -1,-0.1 7,-0.1 9,-0.1 -0.965 99.1 -73.2-154.6 157.5 33.4 -4.3 14.1 44 105 A P + 0 0 102 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.202 50.7 173.4 -54.9 143.3 34.5 -7.8 15.1 45 106 A H > - 0 0 51 3,-0.4 3,-1.9 -4,-0.1 59,-0.0 -0.974 43.5-113.6-149.1 145.4 35.6 -8.3 18.7 46 107 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.796 117.9 40.9 -46.6 -35.9 36.6 -11.5 20.7 47 108 A F T 3 S+ 0 0 76 64,-0.1 2,-0.6 -3,-0.0 65,-0.3 0.371 94.5 95.9-101.2 2.8 33.5 -11.2 22.9 48 109 A L < - 0 0 19 -3,-1.9 -3,-0.4 1,-0.1 3,-0.1 -0.860 44.7-175.8 -97.7 122.8 30.9 -10.1 20.2 49 110 A H S S+ 0 0 144 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.701 80.1 5.3 -80.0 -25.5 28.8 -12.8 18.6 50 111 A R - 0 0 91 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.969 67.2-170.6-153.7 163.0 27.3 -10.2 16.3 51 112 A Y - 0 0 78 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.979 36.4 -83.4-156.5 160.8 27.7 -6.5 15.3 52 113 A Y - 0 0 1 -11,-3.0 2,-0.7 -2,-0.3 -31,-0.1 -0.566 34.1-158.1 -72.2 125.3 26.2 -3.7 13.3 53 114 A Q > - 0 0 91 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 -0.885 5.5-170.4-108.8 98.0 27.2 -3.8 9.7 54 115 A R G > S+ 0 0 65 -2,-0.7 3,-1.9 1,-0.3 6,-0.3 0.854 80.8 63.0 -58.2 -38.3 26.7 -0.3 8.3 55 116 A Q G 3 S+ 0 0 202 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.701 99.3 56.5 -62.4 -20.6 27.2 -1.3 4.7 56 117 A L G < S+ 0 0 105 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.445 89.4 89.2 -91.3 -1.5 24.1 -3.5 4.8 57 118 A S X - 0 0 10 -3,-1.9 3,-1.0 -4,-0.2 -36,-0.1 -0.878 55.8-166.6-106.7 115.9 21.8 -0.7 5.9 58 119 A S T 3 S+ 0 0 106 -36,-2.4 -1,-0.1 -2,-0.6 -4,-0.0 0.732 91.2 50.4 -64.8 -23.7 20.1 1.4 3.2 59 120 A T T 3 S+ 0 0 31 -37,-0.5 -1,-0.2 25,-0.1 23,-0.1 0.440 80.7 121.0-101.7 -2.3 19.1 4.0 5.7 60 121 A Y < - 0 0 48 -3,-1.0 2,-0.4 -6,-0.3 23,-0.2 -0.334 40.3-169.1 -62.7 138.9 22.5 4.6 7.4 61 122 A R E -H 82 0A 152 21,-2.2 21,-2.3 -2,-0.0 2,-0.3 -0.974 16.4-137.9-131.5 122.2 23.9 8.1 7.2 62 123 A D E -H 81 0A 68 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.574 6.5-160.9 -76.4 132.4 27.6 8.8 8.2 63 124 A L E - 0 0 60 17,-2.4 18,-0.2 -2,-0.3 -1,-0.1 0.478 30.6-131.1 -91.1 -4.2 27.9 11.9 10.4 64 125 A R E + 0 0 219 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.926 69.7 108.0 56.9 51.3 31.7 12.1 9.6 65 126 A K E - 0 0 112 15,-0.4 15,-3.1 2,-0.0 -2,-0.2 -0.946 59.2-138.0-158.6 132.0 32.7 12.6 13.2 66 127 A G E -H 79 0A 38 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.438 16.7-161.1 -89.9 168.1 34.4 10.3 15.7 67 128 A V E -H 78 0A 10 11,-2.2 11,-2.3 -2,-0.1 2,-0.4 -0.994 7.9-163.7-151.6 144.5 33.5 9.8 19.3 68 129 A Y E -H 77 0A 111 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.997 5.5-174.2-132.3 132.1 35.2 8.5 22.5 69 130 A V E -H 76 0A 9 7,-2.5 7,-1.9 -2,-0.4 2,-0.6 -0.961 4.5-170.4-131.4 112.8 33.5 7.5 25.7 70 131 A P E -H 75 0A 47 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.927 13.5-172.5 -95.9 115.5 35.4 6.4 28.9 71 132 A Y - 0 0 51 3,-2.4 3,-0.2 -2,-0.6 -36,-0.0 -0.316 45.8 -92.6 -89.0-176.3 33.1 5.0 31.6 72 133 A T S S+ 0 0 100 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.909 124.3 25.9 -59.4 -43.2 34.0 4.1 35.1 73 134 A Q S S- 0 0 134 1,-0.0 -1,-0.3 35,-0.0 -2,-0.1 -0.995 125.8 -1.5-121.8 124.5 34.6 0.6 33.7 74 135 A G - 0 0 15 -2,-0.4 -3,-2.4 -3,-0.2 2,-0.3 0.119 58.7-143.4 86.7 159.6 35.5 0.3 30.0 75 136 A K E -HI 70 106A 82 31,-1.4 31,-2.8 -5,-0.2 2,-0.3 -0.976 12.5-173.6-156.9 156.0 35.9 2.7 27.1 76 137 A W E -HI 69 105A 3 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.3 -0.970 10.6-155.4-147.2 158.6 35.2 2.7 23.4 77 138 A E E +HI 68 104A 77 27,-2.8 26,-2.2 -2,-0.3 27,-1.8 -0.981 27.9 139.4-133.6 153.8 35.7 4.8 20.3 78 139 A G E -HI 67 102A 8 -11,-2.3 -11,-2.2 -2,-0.3 2,-0.4 -0.911 46.2 -76.4-169.3-170.2 33.7 4.8 17.1 79 140 A E E -HI 66 101A 45 22,-1.9 22,-2.9 -2,-0.3 -13,-0.2 -0.930 38.5-127.2-114.6 132.2 32.1 6.7 14.3 80 141 A L E + I 0 100A 5 -15,-3.1 -17,-2.4 -2,-0.4 -16,-0.5 -0.524 42.9 139.8 -76.3 140.8 28.9 8.8 14.6 81 142 A G E -HI 62 99A 0 18,-1.7 18,-2.9 -19,-0.3 2,-0.3 -0.910 41.1-117.0-157.8-177.1 26.1 8.2 12.2 82 143 A T E +HI 61 98A 22 -21,-2.3 -21,-2.2 -2,-0.3 2,-0.3 -0.961 35.9 151.0-128.6 153.1 22.3 8.0 12.2 83 144 A D E - I 0 97A 0 14,-2.0 14,-2.8 -2,-0.3 2,-0.3 -0.965 49.4 -73.0-165.3 172.2 19.9 5.1 11.3 84 145 A L E - I 0 96A 49 -2,-0.3 -63,-2.3 12,-0.2 2,-0.4 -0.632 46.2-170.8 -79.8 139.6 16.5 3.6 12.1 85 146 A V E +DI 20 95A 1 10,-2.9 10,-2.5 -2,-0.3 2,-0.3 -0.985 5.2 179.4-134.5 134.5 16.2 1.9 15.5 86 147 A S E -DI 19 94A 20 -67,-2.2 -67,-2.4 -2,-0.4 8,-0.2 -0.930 26.1-143.0-135.0 161.1 13.4 -0.2 16.9 87 148 A I > - 0 0 4 6,-1.0 3,-2.0 4,-0.5 6,-0.3 -0.905 13.5-164.7-124.7 95.2 12.5 -2.1 20.1 88 149 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.800 92.3 35.5 -52.2 -38.7 10.6 -5.3 19.0 89 150 A H T 3 S+ 0 0 92 -72,-0.5 -84,-0.1 -84,-0.1 3,-0.1 -0.226 116.0 66.1-110.0 38.5 9.3 -5.9 22.6 90 151 A G S < S- 0 0 0 -3,-2.0 75,-0.1 1,-0.3 -87,-0.0 -0.482 108.8 -28.7-127.9-153.6 8.8 -2.3 23.3 91 152 A P - 0 0 18 0, 0.0 2,-3.6 0, 0.0 -4,-0.5 -0.396 69.4-109.6 -63.8 141.2 6.5 0.3 21.9 92 153 A Q S S+ 0 0 178 -3,-0.1 2,-0.3 -6,-0.1 -3,-0.0 -0.375 82.4 122.1 -71.8 65.6 5.7 -0.5 18.3 93 154 A V - 0 0 33 -2,-3.6 -6,-1.0 -6,-0.3 2,-0.4 -0.950 45.8-167.2-132.7 151.4 7.8 2.4 17.3 94 155 A T E - 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