==== 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 23-MAY-07 2Q11 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.J.SHARFF . 1164 3 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 774 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 319 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 5 0.4 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 . 140 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.9 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 9 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 6 5 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 . 7 10 10 8 6 12 3 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 1 6 1 0 0 2 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 -2 A S 0 0 33 0, 0.0 525,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -69.3 211.1 -22.1 18.9 2 -1 A F >> + 0 0 46 1,-0.1 4,-1.7 2,-0.1 3,-1.5 -0.248 360.0 154.9-122.3 46.5 208.2 -20.0 17.5 3 0 A V T 34 + 0 0 3 1,-0.3 485,-0.2 2,-0.2 -1,-0.1 0.719 68.2 63.7 -39.1 -37.5 209.4 -19.8 13.9 4 1 A E T 34 S+ 0 0 42 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.904 111.2 32.5 -56.4 -52.0 205.8 -19.3 12.8 5 2 A M T X4 S+ 0 0 4 -3,-1.5 3,-1.5 174,-0.1 172,-0.5 0.692 87.8 118.9 -86.1 -20.0 205.3 -16.0 14.7 6 3 A V T 3< S+ 0 0 9 -4,-1.7 170,-0.1 1,-0.3 482,-0.1 -0.271 88.1 5.5 -54.3 118.3 208.8 -14.7 14.3 7 4 A D T 3 S+ 0 0 48 149,-0.1 -1,-0.3 -2,-0.1 169,-0.2 0.789 82.6 138.0 77.6 34.4 208.8 -11.4 12.4 8 5 A N < + 0 0 13 -3,-1.5 12,-0.5 84,-0.1 2,-0.4 0.291 49.6 87.1 -91.0 9.2 205.0 -11.1 12.1 9 6 A L B +A 175 0A 0 166,-2.4 165,-1.5 10,-0.1 166,-0.7 -0.874 48.9 155.6-112.2 145.4 205.1 -7.3 12.9 10 7 A R E +F 18 0B 67 8,-1.9 8,-3.0 -2,-0.4 2,-0.4 -0.906 22.8 78.0-151.6 178.5 205.5 -4.4 10.4 11 8 A G E S-F 17 0B 8 158,-0.3 2,-0.3 -2,-0.3 6,-0.2 -0.967 80.6 -52.8 124.2-133.0 204.8 -0.8 9.9 12 9 A K E >> -F 16 0B 46 4,-1.7 3,-1.7 -2,-0.4 4,-1.4 -0.902 28.9-138.8-153.8 119.9 206.6 2.2 11.3 13 10 A S G >4 S+ 0 0 14 -2,-0.3 3,-0.8 1,-0.3 4,-0.2 0.892 112.1 52.7 -42.5 -47.0 207.4 2.9 15.0 14 11 A G G 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.1 221,-0.2 0.795 123.2 29.3 -60.6 -30.6 206.5 6.5 14.3 15 12 A Q G <4 S- 0 0 56 -3,-1.7 -2,-0.3 1,-0.2 -1,-0.3 0.262 124.5 -99.3-113.5 10.9 203.2 5.3 12.8 16 13 A G E << -F 12 0B 7 -4,-1.4 -4,-1.7 -3,-0.8 2,-0.3 0.272 30.1 -87.9 88.1 148.6 202.8 2.1 15.0 17 14 A Y E -F 11 0B 5 215,-0.5 17,-2.9 17,-0.3 2,-0.3 -0.729 45.3-174.3 -91.8 139.0 203.5 -1.6 14.6 18 15 A Y E -FG 10 33B 1 -8,-3.0 -8,-1.9 -2,-0.3 2,-0.3 -0.933 14.4-150.5-135.9 160.5 200.8 -3.9 13.2 19 16 A V E - G 0 32B 1 13,-3.3 13,-2.8 -2,-0.3 2,-0.1 -0.921 29.1-103.9-127.0 151.8 200.0 -7.5 12.5 20 17 A E E + G 0 31B 51 -12,-0.5 2,-0.3 -2,-0.3 11,-0.2 -0.474 46.6 163.4 -72.7 143.1 197.9 -9.3 9.9 21 18 A M E - G 0 30B 1 9,-1.6 9,-2.3 69,-0.2 2,-0.3 -0.926 24.6-144.7-150.2 168.9 194.5 -10.6 11.1 22 19 A T E -HG 89 29B 20 67,-1.8 67,-1.9 -2,-0.3 2,-0.3 -0.995 12.3-166.3-141.2 141.9 191.2 -11.8 9.5 23 20 A V E > +HG 88 28B 3 5,-2.0 5,-1.7 -2,-0.3 65,-0.2 -0.957 45.2 5.3-131.2 150.4 187.6 -11.3 10.6 24 21 A G T 5S- 0 0 7 63,-1.9 4,-0.2 -2,-0.3 36,-0.1 0.153 89.9 -44.2 72.9 173.6 184.3 -12.9 9.7 25 22 A S T 5S+ 0 0 31 2,-0.1 36,-2.4 3,-0.0 37,-0.3 -0.978 127.2 32.4-129.3 119.4 183.3 -15.8 7.3 26 23 A P T 5S- 0 0 95 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.572 119.1 -94.6 -66.4 167.1 184.6 -15.9 4.7 27 24 A P T 5 - 0 0 97 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.315 35.5-163.5 -58.9 121.8 188.0 -14.4 5.9 28 25 A Q E < -G 23 0B 30 -5,-1.7 -5,-2.0 -4,-0.2 2,-0.4 -0.941 16.9-140.2-109.3 117.1 188.5 -10.6 5.5 29 26 A T E +G 22 0B 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.616 28.5 164.2 -85.0 132.7 192.1 -9.6 5.9 30 27 A L E -G 21 0B 4 -9,-2.3 -9,-1.6 -2,-0.4 2,-0.5 -0.997 38.0-120.7-145.5 147.1 193.2 -6.4 7.8 31 28 A N E -G 20 0B 5 -2,-0.3 88,-2.4 -11,-0.2 89,-0.9 -0.776 33.8-165.2 -86.9 126.7 196.3 -4.9 9.2 32 29 A I E -Gi 19 120B 1 -13,-2.8 -13,-3.3 -2,-0.5 2,-0.3 -0.967 17.1-125.4-120.5 128.6 195.8 -4.3 13.0 33 30 A L E -Gi 18 121B 14 87,-3.0 89,-2.7 -2,-0.5 2,-0.9 -0.506 20.6-128.2 -72.9 131.1 198.0 -2.2 15.1 34 31 A V E + i 0 122B 2 -17,-2.9 2,-0.5 -2,-0.3 -17,-0.3 -0.696 35.6 175.7 -83.2 107.1 199.5 -3.8 18.2 35 32 A D E > + i 0 123B 16 87,-1.8 89,-1.8 -2,-0.9 3,-1.2 -0.878 26.7 176.8-123.1 105.3 198.7 -1.5 21.1 36 33 A T T 3 S+ 0 0 1 -2,-0.5 166,-0.4 1,-0.2 194,-0.1 0.475 80.1 76.9 -78.6 -0.0 199.5 -2.5 24.7 37 34 A G T 3 S+ 0 0 13 164,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.545 99.6 27.9 -87.4 -8.4 198.1 1.0 25.6 38 35 A S < - 0 0 29 -3,-1.2 87,-2.9 84,-0.2 92,-0.1 -0.896 60.8-136.2-146.0 175.7 194.4 0.1 25.2 39 36 A S + 0 0 2 90,-0.5 2,-0.4 -2,-0.3 100,-0.1 0.006 65.5 97.5-127.8 27.3 191.8 -2.8 25.5 40 37 A N - 0 0 16 98,-0.1 83,-1.8 90,-0.1 2,-0.9 -0.942 57.2-146.7-120.6 142.3 189.5 -2.5 22.5 41 38 A F E +J 122 0B 7 -2,-0.4 62,-2.2 81,-0.2 2,-0.4 -0.914 37.5 168.5-102.7 102.9 189.6 -4.5 19.2 42 39 A A E -Jk 121 103B 0 79,-2.4 79,-3.1 -2,-0.9 2,-0.3 -0.982 11.6-179.5-126.5 130.8 188.3 -1.8 16.9 43 40 A V E -Jk 120 104B 0 60,-1.8 62,-2.8 -2,-0.4 2,-0.4 -0.908 38.6 -96.7-127.6 153.5 188.4 -1.9 13.1 44 41 A G E + k 0 105B 1 75,-2.2 11,-3.2 -2,-0.3 62,-0.1 -0.557 37.7 177.3 -69.6 120.8 187.3 0.4 10.3 45 42 A A + 0 0 8 60,-2.5 -1,-0.1 -2,-0.4 12,-0.1 -0.185 62.7 40.7-116.7 36.3 183.8 -0.8 9.3 46 43 A A S S- 0 0 24 7,-0.1 9,-0.1 10,-0.1 7,-0.1 -0.905 96.0 -75.9-175.7 150.4 183.2 1.9 6.7 47 44 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.105 46.9 167.3 -56.0 150.3 185.0 3.8 4.0 48 45 A H > - 0 0 48 3,-0.4 3,-2.5 -4,-0.1 -2,-0.0 -0.934 47.9-110.7-163.1 142.3 187.4 6.5 4.9 49 46 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.708 118.8 47.4 -51.6 -21.4 190.1 8.4 2.8 50 47 A F T 3 S+ 0 0 83 64,-0.1 2,-0.6 1,-0.1 65,-0.2 0.324 91.2 92.4-106.4 10.2 192.8 6.7 4.8 51 48 A L < - 0 0 18 -3,-2.5 -3,-0.4 1,-0.1 3,-0.1 -0.897 50.4-167.6-112.2 112.1 191.5 3.1 4.7 52 49 A H S S- 0 0 127 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.777 82.6 -17.1 -59.1 -28.1 192.7 0.8 1.9 53 50 A R - 0 0 93 -3,-0.1 2,-0.3 -7,-0.1 -9,-0.1 -0.942 68.3-159.1-164.6 174.3 189.9 -1.5 3.0 54 51 A Y - 0 0 66 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.984 36.2 -69.1-162.3 168.2 187.6 -2.2 5.9 55 52 A Y - 0 0 3 -11,-3.2 2,-0.8 -2,-0.3 -31,-0.1 -0.470 37.5-159.9 -67.9 121.3 185.4 -4.7 7.7 56 53 A Q > - 0 0 74 -2,-0.3 3,-2.1 1,-0.2 -1,-0.1 -0.746 10.0-178.3-108.4 86.0 182.2 -5.5 5.8 57 54 A R G > S+ 0 0 38 -2,-0.8 3,-1.5 1,-0.3 6,-0.2 0.758 77.7 63.7 -51.5 -35.0 179.7 -6.9 8.2 58 55 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.643 102.0 52.6 -68.0 -15.0 177.0 -7.6 5.6 59 56 A L G < S+ 0 0 96 -3,-2.1 2,-0.6 1,-0.1 -1,-0.3 0.221 90.3 90.2-105.9 13.8 179.3 -10.1 4.0 60 57 A S X - 0 0 10 -3,-1.5 3,-1.3 1,-0.1 -36,-0.1 -0.917 54.8-164.2-118.5 110.9 180.1 -12.2 7.1 61 58 A S T 3 S+ 0 0 106 -36,-2.4 -1,-0.1 -2,-0.6 -4,-0.0 0.612 93.4 49.1 -64.7 -12.6 177.8 -15.1 7.9 62 59 A T T 3 S+ 0 0 19 -37,-0.3 -1,-0.3 -36,-0.1 -38,-0.1 0.526 81.0 118.2-106.2 -5.6 179.2 -15.2 11.4 63 60 A Y < - 0 0 50 -3,-1.3 2,-0.4 -6,-0.2 23,-0.2 -0.312 43.9-167.4 -60.0 138.9 178.8 -11.6 12.2 64 61 A R E -L 85 0B 35 21,-2.6 21,-2.5 -2,-0.0 2,-0.5 -0.999 14.7-132.9-133.1 136.3 176.4 -10.9 15.1 65 62 A D E -L 84 0B 64 -2,-0.4 19,-0.2 898,-0.3 900,-0.2 -0.782 12.7-170.2 -94.9 125.0 175.0 -7.5 16.1 66 63 A L E - 0 0 0 17,-1.5 18,-0.2 -2,-0.5 -1,-0.1 0.530 31.3-137.7 -86.1 -8.2 175.0 -6.4 19.8 67 64 A R E + 0 0 85 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.909 63.0 119.3 50.1 50.9 172.8 -3.4 19.1 68 65 A K E - 0 0 74 15,-0.5 15,-2.5 2,-0.0 2,-0.2 -0.993 52.0-144.3-146.0 134.5 174.9 -1.2 21.4 69 66 A G E -L 82 0B 57 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.623 8.3-157.8-100.8 161.6 176.9 1.9 20.4 70 67 A V E -L 81 0B 11 11,-2.2 11,-2.4 -2,-0.2 2,-0.5 -0.979 4.7-164.2-145.0 127.6 180.2 3.2 21.7 71 68 A Y E +L 80 0B 139 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.945 10.1 178.8-112.4 124.5 181.7 6.7 21.7 72 69 A V E +L 79 0B 19 7,-1.7 7,-3.1 -2,-0.5 2,-0.2 -0.929 1.5 178.7-130.6 109.5 185.4 7.1 22.3 73 70 A P E +L 78 0B 62 0, 0.0 5,-0.3 0, 0.0 -2,-0.0 -0.646 9.4 157.3-100.9 162.8 187.0 10.6 22.3 74 71 A Y + 0 0 197 3,-2.9 2,-0.4 -2,-0.2 4,-0.1 0.327 60.8 4.0-146.5 -78.9 190.7 11.2 23.0 75 72 A T S S- 0 0 61 35,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.745 126.5 -49.0-127.1 83.6 192.8 14.2 21.9 76 73 A Q S S+ 0 0 159 -2,-0.4 2,-0.2 1,-0.3 0, 0.0 0.755 132.7 77.1 59.5 19.7 190.5 16.7 20.2 77 74 A G + 0 0 11 33,-0.1 -3,-2.9 2,-0.0 -1,-0.3 -0.814 56.3 177.5-144.8-176.7 189.5 13.6 18.3 78 75 A K E -LM 73 109B 10 31,-2.1 31,-2.9 -5,-0.3 2,-0.4 -0.936 22.6-129.5 177.4 159.9 187.4 10.4 18.7 79 76 A W E -LM 72 108B 17 -7,-3.1 -7,-1.7 -2,-0.3 2,-0.4 -0.997 19.1-157.8-128.8 132.4 186.1 7.2 17.0 80 77 A E E +LM 71 107B 55 27,-3.3 26,-3.0 -2,-0.4 27,-1.4 -0.895 21.9 165.7-110.5 136.7 182.5 6.1 17.0 81 78 A G E -LM 70 105B 6 -11,-2.4 -11,-2.2 -2,-0.4 2,-0.6 -0.957 37.9-119.2-151.3 169.6 181.3 2.6 16.5 82 79 A E E -LM 69 104B 83 22,-2.5 22,-2.3 -2,-0.3 -13,-0.2 -0.937 35.6-131.6-111.9 117.9 178.7 -0.2 16.6 83 80 A L E + M 0 103B 1 -15,-2.5 -17,-1.5 -2,-0.6 -16,-0.5 -0.340 45.2 125.8 -69.5 144.7 179.5 -3.2 18.9 84 81 A G E -LM 65 102B 2 18,-1.0 18,-2.5 -19,-0.2 2,-0.3 -0.905 43.1-110.0-171.5-165.0 179.1 -6.7 17.7 85 82 A T E +LM 64 101B 2 -21,-2.5 -21,-2.6 -2,-0.3 2,-0.3 -0.974 29.6 153.5-148.3 159.6 181.0 -10.0 17.4 86 83 A D E - 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