==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-MAY-13 3WB5 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.YONEZAWA,K.FUJIWARA,T.YAMAMOTO,K.HATTORI,H.YAMAKAWA,C.MUTO . 361 5 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.6 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 . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 7.8 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 2 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 . 1 0 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 96 0, 0.0 3,-2.3 0, 0.0 4,-1.2 0.000 360.0 360.0 360.0 37.5 16.8 28.3 18.1 2 0 A V T 34 + 0 0 121 1,-0.3 3,-0.2 2,-0.2 170,-0.0 0.781 360.0 59.8 -51.2 -33.3 20.2 29.2 19.5 3 1 A E T 34 S+ 0 0 101 1,-0.2 -1,-0.3 89,-0.0 0, 0.0 0.771 108.1 44.2 -68.6 -26.0 21.9 27.0 16.9 4 2 A M T X4 S+ 0 0 6 -3,-2.3 3,-1.3 161,-0.1 162,-0.7 0.637 87.8 107.3 -94.5 -16.4 20.4 29.0 14.0 5 3 A V T 3< S+ 0 0 48 -4,-1.2 160,-0.1 1,-0.3 159,-0.0 -0.409 89.4 10.8 -63.6 135.6 21.1 32.5 15.5 6 4 A D T 3 S+ 0 0 84 149,-0.1 -1,-0.3 1,-0.1 159,-0.2 0.763 84.1 135.0 67.7 29.2 23.9 34.3 13.8 7 5 A N < + 0 0 16 -3,-1.3 12,-0.5 84,-0.1 2,-0.4 0.356 47.9 87.6 -88.1 6.1 24.0 31.8 10.9 8 6 A L E +AB 18 164A 0 156,-2.4 156,-1.4 10,-0.1 2,-0.3 -0.886 51.0 171.8-110.8 137.9 24.2 34.5 8.3 9 7 A R E +AB 17 163A 103 8,-2.2 8,-3.1 -2,-0.4 2,-0.3 -0.851 11.0 127.1-131.5 169.8 27.4 36.1 6.9 10 8 A G E -AB 16 162A 3 152,-0.9 152,-1.9 -2,-0.3 2,-0.3 -0.982 46.4 -89.5 169.6-175.0 28.3 38.5 4.2 11 9 A K E > - B 0 161A 86 4,-0.7 3,-2.6 -2,-0.3 4,-0.5 -0.943 56.1 -82.2-124.2 150.8 30.0 41.7 3.0 12 10 A S T 3 S+ 0 0 61 148,-1.5 149,-0.0 -2,-0.3 4,-0.0 -0.288 115.9 1.1 -56.2 115.6 28.4 45.2 2.8 13 11 A G T 3 S+ 0 0 40 -2,-0.2 -1,-0.3 210,-0.0 211,-0.1 0.347 113.1 89.6 88.9 -5.5 26.4 45.4 -0.5 14 12 A Q S < S- 0 0 51 -3,-2.6 -2,-0.2 1,-0.2 98,-0.1 0.355 92.0-115.7-105.9 4.8 27.2 41.8 -1.5 15 13 A G - 0 0 21 -4,-0.5 -4,-0.7 17,-0.1 2,-0.4 -0.013 29.5 -69.7 89.5 168.5 24.2 40.2 0.2 16 14 A Y E -A 10 0A 11 205,-0.3 17,-3.1 17,-0.3 2,-0.3 -0.842 46.4-169.3-102.6 136.3 23.7 37.7 3.1 17 15 A Y E -AC 9 32A 30 -8,-3.1 -8,-2.2 -2,-0.4 2,-0.4 -0.924 12.1-154.0-126.7 152.0 24.6 34.0 2.8 18 16 A V E -AC 8 31A 2 13,-2.6 13,-2.7 -2,-0.3 2,-0.3 -0.923 29.3-111.1-117.7 145.4 24.0 30.8 4.7 19 17 A E E + C 0 30A 66 -12,-0.5 72,-0.4 -2,-0.4 2,-0.3 -0.581 42.7 174.9 -73.0 134.7 26.2 27.8 4.7 20 18 A M E - C 0 29A 0 9,-2.7 9,-2.9 -2,-0.3 2,-0.4 -0.943 23.1-139.2-135.8 158.9 24.7 24.7 3.0 21 19 A T E -DC 88 28A 21 67,-2.8 67,-2.5 -2,-0.3 2,-0.4 -0.955 17.8-171.4-119.0 144.7 25.8 21.2 2.1 22 20 A V E > +DC 87 27A 0 5,-1.9 5,-2.3 -2,-0.4 65,-0.2 -0.997 43.0 2.6-136.2 136.7 24.9 19.5 -1.1 23 21 A G T 5S- 0 0 5 63,-2.4 36,-0.1 -2,-0.4 4,-0.1 -0.056 89.4 -46.2 86.9 175.0 25.4 15.9 -2.3 24 22 A S T 5S+ 0 0 28 1,-0.2 36,-2.8 2,-0.1 37,-0.3 -0.965 133.3 30.9-131.6 114.1 26.8 12.7 -0.8 25 23 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.566 120.0-107.1 -67.5 156.4 29.4 13.1 0.7 26 24 A P T 5 - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.285 28.6-155.9 -63.7 134.6 28.3 16.7 1.5 27 25 A Q E < -C 22 0A 28 -5,-2.3 -5,-1.9 -4,-0.1 2,-0.3 -0.959 17.7-131.8-109.6 124.1 29.9 19.5 -0.3 28 26 A T E +C 21 0A 52 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.577 30.9 172.3 -78.7 132.2 29.8 22.8 1.6 29 27 A L E -C 20 0A 2 -9,-2.9 -9,-2.7 -2,-0.3 2,-0.5 -0.996 32.7-128.0-136.4 142.1 28.7 25.9 -0.3 30 28 A N E -C 19 0A 13 -2,-0.3 88,-2.7 -11,-0.2 89,-0.6 -0.833 35.1-164.4 -87.3 126.5 28.0 29.5 0.8 31 29 A I E -Ce 18 119A 0 -13,-2.7 -13,-2.6 -2,-0.5 89,-0.2 -0.943 19.5-118.9-125.8 127.8 24.5 30.4 -0.6 32 30 A L E -Ce 17 120A 18 87,-3.6 89,-3.3 -2,-0.4 2,-0.8 -0.352 24.0-132.0 -62.8 134.1 22.8 33.7 -1.0 33 31 A V E + e 0 121A 2 -17,-3.1 2,-0.5 87,-0.2 -17,-0.3 -0.816 34.9 177.5 -89.8 109.9 19.6 34.1 1.0 34 32 A D E > + e 0 122A 21 87,-2.3 89,-3.4 -2,-0.8 3,-0.9 -0.885 28.1 174.3-129.3 102.3 17.1 35.5 -1.6 35 33 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.4 1,-0.2 184,-0.2 0.536 80.2 71.5 -78.9 -4.9 13.5 36.1 -0.8 36 34 A G T 3 S+ 0 0 13 154,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.358 100.7 34.9 -95.6 3.8 13.2 37.7 -4.3 37 35 A S < - 0 0 17 -3,-0.9 87,-3.5 84,-0.2 92,-0.1 -0.889 62.2-141.4-146.1-179.5 13.5 34.5 -6.3 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.3 0.345 63.2 96.9-132.7 4.8 12.5 30.8 -6.2 39 37 A N - 0 0 14 89,-0.1 83,-1.9 98,-0.1 2,-0.9 -0.804 60.4-141.7-100.0 140.3 15.3 28.7 -7.6 40 38 A F E +F 121 0A 6 -2,-0.4 62,-2.5 81,-0.2 2,-0.4 -0.884 39.6 169.9 -91.1 105.4 18.0 26.9 -5.7 41 39 A A E -Fg 120 102A 1 79,-2.0 79,-3.6 -2,-0.9 2,-0.4 -0.975 13.2-179.0-127.9 126.9 20.9 27.5 -8.0 42 40 A V E -Fg 119 103A 0 60,-2.1 62,-3.9 -2,-0.4 77,-0.2 -0.942 35.0-105.7-124.8 146.4 24.6 26.8 -7.5 43 41 A G E + g 0 104A 1 75,-2.6 11,-2.8 -2,-0.4 62,-0.2 -0.474 33.7 179.4 -62.1 136.3 27.7 27.3 -9.5 44 42 A A + 0 0 14 60,-2.7 12,-0.2 9,-0.3 -1,-0.1 0.009 55.9 62.9-132.7 25.8 28.9 23.9 -10.8 45 43 A A S S- 0 0 33 59,-0.2 2,-3.1 7,-0.1 9,-0.1 -0.987 95.1 -92.1-152.3 151.1 31.9 24.9 -12.8 46 44 A P + 0 0 91 0, 0.0 7,-0.0 0, 0.0 59,-0.0 -0.285 48.5 176.0 -71.5 63.3 35.3 26.5 -12.0 47 45 A H > - 0 0 58 -2,-3.1 3,-1.9 1,-0.1 -2,-0.0 -0.524 36.6-126.9 -60.8 132.3 34.3 30.1 -12.7 48 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.711 105.4 57.3 -59.1 -23.7 37.5 32.0 -11.7 49 47 A F T 3 S+ 0 0 96 64,-0.0 65,-0.5 69,-0.0 2,-0.4 0.435 90.6 89.8 -90.0 -0.6 35.5 34.3 -9.3 50 48 A L < - 0 0 22 -3,-1.9 3,-0.1 1,-0.1 68,-0.1 -0.793 62.5-152.4-102.9 140.0 34.2 31.5 -7.2 51 49 A H S S- 0 0 121 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.833 82.1 -10.1 -73.5 -35.3 35.8 30.0 -4.1 52 50 A R - 0 0 80 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.971 63.4-155.4-156.3 170.8 34.1 26.6 -4.7 53 51 A Y - 0 0 73 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.3 -0.992 33.0 -88.9-152.6 155.7 31.5 24.9 -6.8 54 52 A Y - 0 0 1 -11,-2.8 2,-0.7 -2,-0.3 3,-0.1 -0.501 34.8-160.7 -64.2 121.4 29.1 21.9 -6.9 55 53 A Q > - 0 0 66 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.857 7.1-173.0-109.5 96.6 30.8 18.9 -8.4 56 54 A R G > S+ 0 0 46 -2,-0.7 3,-1.3 1,-0.3 6,-0.2 0.784 79.5 67.2 -60.7 -28.4 28.1 16.5 -9.6 57 55 A Q G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.710 99.0 52.5 -66.0 -19.2 30.6 13.8 -10.4 58 56 A L G < S+ 0 0 93 -3,-1.8 2,-0.6 -33,-0.0 -1,-0.3 0.550 90.3 92.2 -92.5 -9.2 31.4 13.4 -6.7 59 57 A S X - 0 0 13 -3,-1.3 3,-0.7 -4,-0.4 -36,-0.1 -0.792 50.2-170.2-101.0 119.5 27.9 13.0 -5.5 60 58 A S T 3 S+ 0 0 101 -36,-2.8 -1,-0.1 -2,-0.6 -4,-0.0 0.681 91.2 51.2 -72.9 -19.1 26.4 9.5 -5.2 61 59 A T T 3 S+ 0 0 30 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.387 80.8 118.3-103.7 2.1 22.9 11.0 -4.6 62 60 A Y < - 0 0 47 -3,-0.7 2,-0.4 -6,-0.2 23,-0.2 -0.449 43.2-167.5 -68.3 140.1 22.8 13.3 -7.6 63 61 A R E -H 84 0A 150 21,-2.3 21,-2.2 -2,-0.1 2,-0.2 -0.985 16.9-132.1-132.3 123.9 20.1 12.6 -10.1 64 62 A D E -H 83 0A 95 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.491 11.3-166.4 -72.6 139.1 20.0 14.2 -13.6 65 63 A L E - 0 0 74 17,-2.1 18,-0.2 2,-0.2 -1,-0.1 0.432 31.7-133.4-102.1 -3.2 16.7 15.7 -14.6 66 64 A R E + 0 0 106 16,-0.4 2,-0.3 1,-0.2 17,-0.1 0.905 66.9 110.9 51.0 51.5 17.8 16.0 -18.3 67 65 A K E - 0 0 77 15,-0.5 15,-2.8 2,-0.0 2,-0.3 -0.962 52.3-150.1-155.6 133.9 16.6 19.6 -18.6 68 66 A G E -H 81 0A 51 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.758 8.5-158.4-106.1 153.2 18.3 23.0 -19.0 69 67 A V E -H 80 0A 9 11,-1.6 11,-2.1 -2,-0.3 2,-0.5 -0.988 4.6-157.5-132.8 139.9 17.2 26.4 -17.9 70 68 A Y E -H 79 0A 146 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.977 10.7-173.9-118.7 127.4 18.1 29.9 -19.1 71 69 A V E -H 78 0A 1 7,-3.2 7,-2.0 -2,-0.5 2,-0.1 -0.847 1.0-172.4-130.4 96.1 17.6 32.9 -16.7 72 70 A P E -H 77 0A 73 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.480 9.1-175.3 -82.6 155.9 18.1 36.5 -17.9 73 71 A Y - 0 0 109 3,-1.8 37,-0.0 -2,-0.1 -2,-0.0 -0.721 46.1 -78.6-138.0-172.9 18.1 39.5 -15.5 74 72 A T S S- 0 0 94 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.743 122.4 -18.6 -64.6 -24.4 18.3 43.3 -15.4 75 73 A Q S S+ 0 0 83 1,-0.2 -2,-0.1 33,-0.1 35,-0.1 0.366 128.5 62.2-143.3 -54.4 22.0 43.0 -15.8 76 74 A G - 0 0 9 33,-0.2 -3,-1.8 -4,-0.1 2,-0.3 -0.059 56.3-173.8 -75.4 177.4 23.2 39.5 -14.9 77 75 A K E -HI 72 108A 17 31,-1.2 31,-2.8 -5,-0.2 2,-0.3 -0.912 5.0-178.0-170.1 142.8 22.3 36.2 -16.5 78 76 A W E -HI 71 107A 4 -7,-2.0 -7,-3.2 -2,-0.3 2,-0.3 -0.998 8.6-165.0-145.8 152.1 22.8 32.4 -15.9 79 77 A E E +HI 70 106A 90 27,-2.4 26,-1.9 -2,-0.3 27,-1.3 -0.977 22.5 159.6-129.7 150.4 22.0 29.1 -17.5 80 78 A G E -HI 69 104A 6 -11,-2.1 -11,-1.6 -2,-0.3 2,-0.5 -0.816 38.2 -94.8-152.0-171.9 22.3 25.7 -15.9 81 79 A E E -HI 68 103A 81 22,-1.7 22,-2.6 -2,-0.2 -13,-0.2 -0.980 35.7-132.5-123.9 123.0 21.4 22.0 -15.7 82 80 A L E + I 0 102A 6 -15,-2.8 -17,-2.1 -2,-0.5 -15,-0.5 -0.484 42.4 133.6 -77.8 141.1 18.5 20.8 -13.5 83 81 A G E -HI 64 101A 1 18,-1.7 18,-3.1 -19,-0.2 2,-0.3 -0.910 42.8-113.1-161.9-175.8 18.9 17.8 -11.2 84 82 A T E +HI 63 100A 17 -21,-2.2 -21,-2.3 -2,-0.3 2,-0.3 -0.963 32.6 158.0-131.8 154.1 18.2 16.7 -7.6 85 83 A D E - I 0 99A 0 14,-1.6 14,-2.0 -2,-0.3 2,-0.4 -0.965 47.2 -77.1-158.7 172.6 20.4 15.9 -4.6 86 84 A L E - I 0 98A 52 -2,-0.3 -63,-2.4 12,-0.2 2,-0.4 -0.677 50.1-170.2 -78.8 128.9 20.5 15.7 -0.9 87 85 A V E +DI 22 97A 1 10,-3.2 10,-2.3 -2,-0.4 2,-0.3 -0.959 8.8 176.7-126.3 138.7 20.7 19.1 0.7 88 86 A S E -D 21 0A 25 -67,-2.5 -67,-2.8 -2,-0.4 8,-0.1 -0.918 26.0-141.0-134.5 164.8 21.4 20.2 4.3 89 87 A I > - 0 0 11 6,-0.5 3,-1.0 4,-0.4 -69,-0.2 -0.904 13.4-158.5-126.4 100.3 21.9 23.4 6.3 90 88 A P T 3 S+ 0 0 58 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.827 93.6 41.1 -48.4 -46.0 24.6 22.9 9.0 91 89 A H T 3 S+ 0 0 95 -72,-0.4 -84,-0.1 -84,-0.1 -72,-0.0 -0.473 116.1 58.0-102.1 59.0 23.4 25.7 11.2 92 90 A G S < S- 0 0 10 -3,-1.0 2,-0.2 -2,-0.6 75,-0.1 -0.694 102.0 -14.5-154.3-153.6 19.7 24.9 10.7 93 91 A P - 0 0 24 0, 0.0 2,-2.5 0, 0.0 -4,-0.4 -0.432 65.8-117.1 -64.7 128.1 17.2 22.1 11.2 94 92 A N S S+ 0 0 172 -2,-0.2 2,-0.3 -6,-0.1 -6,-0.0 -0.407 80.4 110.5 -63.7 78.7 19.0 18.7 11.8 95 93 A V - 0 0 43 -2,-2.5 -6,-0.5 -6,-0.2 2,-0.4 -0.981 58.7-142.0-157.6 152.2 17.5 17.4 8.6 96 94 A T - 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