==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-12 4B72 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.GRAVENFORS,J.BLID,T.GINMAN,S.KARLSTROM,J.KIHLSTROM,K.KOLMO . 376 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 69.1 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 . 115 30.6 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 . 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 . 47 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 4 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 5 3 2 2 5 0 1 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 1 499 A G 0 0 63 0, 0.0 95,-0.3 0, 0.0 92,-0.0 0.000 360.0 360.0 360.0 60.3 -20.8 -3.1 -30.2 2 500 A S > - 0 0 65 93,-0.1 4,-0.7 1,-0.1 3,-0.3 -0.211 360.0-105.7 -70.9 165.0 -22.7 -3.0 -26.8 3 501 A F H >> S+ 0 0 74 1,-0.2 3,-0.9 2,-0.2 4,-0.8 0.873 121.7 59.0 -62.5 -35.0 -21.0 -2.9 -23.4 4 502 A V H >4 S+ 0 0 104 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.885 104.1 51.5 -60.8 -37.9 -21.8 -6.6 -22.8 5 1 A E H 34 S+ 0 0 128 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.676 106.5 55.0 -74.5 -14.1 -19.8 -7.4 -26.0 6 2 A M H X< S+ 0 0 3 -3,-0.9 3,-1.3 -4,-0.7 161,-0.6 0.595 83.0 111.9 -89.6 -15.5 -16.9 -5.4 -24.6 7 3 A V T << S+ 0 0 43 -4,-0.8 159,-0.1 -3,-0.8 -3,-0.0 -0.355 85.7 10.3 -61.6 140.4 -16.8 -7.5 -21.4 8 4 A D T 3 S+ 0 0 120 149,-0.1 -1,-0.2 1,-0.1 158,-0.2 0.709 83.6 136.4 60.3 31.0 -13.7 -9.8 -21.0 9 5 A N < + 0 0 17 -3,-1.3 12,-0.6 84,-0.1 2,-0.4 0.485 52.5 78.4 -83.6 -2.7 -12.0 -8.0 -24.0 10 6 A L E +AB 20 165A 3 155,-2.6 155,-1.3 147,-0.1 2,-0.3 -0.855 52.8 173.0-109.1 147.5 -8.7 -7.9 -22.0 11 7 A R E +AB 19 164A 150 8,-1.9 8,-3.0 -2,-0.4 2,-0.3 -0.844 10.5 152.8-135.1 172.2 -6.1 -10.6 -21.5 12 8 A G E -A 18 0A 10 151,-1.3 2,-0.4 -2,-0.3 6,-0.2 -0.979 39.0-110.6 176.7 173.9 -2.6 -10.5 -19.9 13 9 A K > - 0 0 100 4,-0.8 3,-2.5 -2,-0.3 4,-0.2 -0.984 55.1 -87.6-124.4 135.3 0.2 -12.2 -18.1 14 10 A S T 3 S+ 0 0 29 -2,-0.4 289,-0.1 1,-0.3 211,-0.0 -0.148 112.9 4.9 -45.7 124.5 1.1 -11.2 -14.5 15 11 A G T 3 S+ 0 0 29 210,-0.1 -1,-0.3 1,-0.1 210,-0.2 0.506 114.8 85.7 77.4 4.8 3.5 -8.2 -14.5 16 12 A Q S < S- 0 0 36 -3,-2.5 -2,-0.2 1,-0.3 98,-0.1 0.206 93.1-115.6-121.6 15.1 3.3 -7.8 -18.3 17 13 A G - 0 0 12 -4,-0.2 -4,-0.8 -5,-0.1 2,-0.4 -0.151 29.5 -73.1 81.6-178.6 0.3 -5.7 -18.6 18 14 A Y E -A 12 0A 7 17,-0.3 17,-2.8 204,-0.2 2,-0.3 -0.966 44.1-161.4-120.3 136.2 -3.2 -6.1 -20.1 19 15 A Y E -AC 11 34A 9 -8,-3.0 -8,-1.9 -2,-0.4 2,-0.3 -0.889 9.5-156.9-125.3 153.7 -3.9 -6.1 -23.8 20 16 A V E -AC 10 33A 0 13,-2.6 13,-3.0 -2,-0.3 2,-0.3 -0.902 29.9-109.8-117.5 150.7 -6.8 -5.6 -26.1 21 17 A E E + C 0 32A 65 -12,-0.6 72,-0.5 -2,-0.3 2,-0.3 -0.628 44.8 168.6 -82.1 135.0 -7.2 -6.8 -29.7 22 18 A M E - C 0 31A 0 9,-2.7 9,-2.9 -2,-0.3 2,-0.4 -0.929 25.5-137.0-134.5 166.4 -7.1 -4.1 -32.3 23 19 A T E -DC 90 30A 16 67,-2.6 67,-1.9 -2,-0.3 2,-0.4 -0.977 14.1-169.1-124.8 143.7 -6.8 -3.9 -36.0 24 20 A V E > +DC 89 29A 1 5,-2.0 5,-2.1 -2,-0.4 65,-0.2 -0.993 48.8 2.5-128.8 140.2 -4.6 -1.5 -38.1 25 21 A G T 5S- 0 0 4 63,-2.2 36,-0.1 -2,-0.4 4,-0.1 -0.074 89.2 -46.7 84.9 176.7 -4.8 -0.9 -41.8 26 22 A S T 5S+ 0 0 28 1,-0.2 36,-1.9 2,-0.1 37,-0.3 -0.988 130.1 31.4-131.1 120.0 -6.8 -2.1 -44.8 27 23 A P T 5S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.630 121.0-104.8 -62.1 154.5 -7.3 -5.1 -45.0 28 24 A P T 5 - 0 0 87 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.277 28.4-152.0 -58.8 132.6 -7.2 -5.1 -41.1 29 25 A Q E < -C 24 0A 30 -5,-2.1 -5,-2.0 -4,-0.1 2,-0.3 -0.954 19.5-133.6-104.7 120.0 -4.0 -6.5 -39.5 30 26 A T E +C 23 0A 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.606 32.5 169.1 -79.2 131.7 -4.9 -7.9 -36.1 31 27 A L E -C 22 0A 3 -9,-2.9 -9,-2.7 -2,-0.3 2,-0.5 -0.986 35.1-126.6-141.0 145.8 -2.6 -7.0 -33.2 32 28 A N E -C 21 0A 14 -2,-0.3 88,-3.1 -11,-0.2 89,-0.7 -0.850 34.1-164.1 -90.6 128.1 -2.7 -7.3 -29.4 33 29 A I E -Ce 20 121A 0 -13,-3.0 -13,-2.6 -2,-0.5 89,-0.3 -0.967 19.5-121.7-123.5 129.4 -2.1 -3.9 -27.8 34 30 A L E -Ce 19 122A 12 87,-2.8 89,-3.4 -2,-0.4 2,-0.7 -0.411 25.5-130.4 -66.0 132.6 -1.2 -3.0 -24.2 35 31 A V E - e 0 123A 2 -17,-2.8 2,-0.5 87,-0.2 -17,-0.3 -0.803 33.8-177.7 -90.3 110.8 -3.8 -0.7 -22.6 36 32 A D E > + e 0 124A 16 87,-2.8 89,-2.7 -2,-0.7 3,-1.1 -0.859 28.9 175.3-124.3 104.3 -1.7 2.1 -21.1 37 33 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.5 1,-0.2 183,-0.2 0.484 81.5 68.8 -81.6 2.0 -3.2 5.0 -19.1 38 34 A G T 3 S+ 0 0 11 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.248 102.2 36.3-100.6 4.7 0.5 6.2 -18.4 39 35 A S < - 0 0 31 -3,-1.1 87,-2.9 84,-0.1 92,-0.1 -0.935 62.3-143.1-148.6 175.1 1.3 7.3 -21.9 40 36 A S + 0 0 2 90,-0.4 2,-0.3 -2,-0.3 100,-0.2 0.343 62.1 95.1-133.4 12.4 -0.3 8.9 -25.0 41 37 A N - 0 0 14 89,-0.1 83,-1.4 98,-0.1 2,-0.8 -0.819 62.2-139.2-105.0 148.9 1.1 7.4 -28.2 42 38 A F E +F 123 0A 8 -2,-0.3 62,-2.7 81,-0.2 2,-0.4 -0.913 40.6 173.0 -96.7 103.3 -0.5 4.6 -30.3 43 39 A A E -Fg 122 104A 3 79,-2.2 79,-3.0 -2,-0.8 2,-0.4 -0.991 8.4-176.2-126.4 121.8 2.9 2.8 -31.0 44 40 A V E -Fg 121 105A 0 60,-2.4 62,-2.7 -2,-0.4 77,-0.3 -0.963 35.0-104.1-126.4 140.9 3.1 -0.6 -32.7 45 41 A G E + g 0 106A 0 75,-3.2 11,-2.9 -2,-0.4 62,-0.1 -0.342 40.1 172.9 -56.1 127.4 5.9 -3.0 -33.6 46 42 A A + 0 0 12 60,-2.4 12,-0.2 9,-0.2 -1,-0.1 0.076 57.3 46.1-132.4 25.9 6.4 -2.5 -37.4 47 43 A A S S- 0 0 30 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.952 98.0 -76.8-160.3 150.6 9.5 -4.6 -38.0 48 44 A P + 0 0 98 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.125 49.8 171.8 -52.6 147.1 10.6 -8.2 -37.0 49 45 A H > - 0 0 54 3,-0.4 3,-1.9 -4,-0.1 59,-0.0 -0.966 43.7-115.8-154.4 142.8 11.8 -8.6 -33.4 50 46 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.775 117.5 45.2 -55.2 -26.3 12.7 -11.8 -31.5 51 47 A F T 3 S+ 0 0 79 64,-0.1 2,-0.6 -3,-0.0 65,-0.3 0.387 94.2 94.8 -97.3 0.6 9.9 -11.1 -29.0 52 48 A L < - 0 0 20 -3,-1.9 -3,-0.4 1,-0.1 3,-0.1 -0.867 47.9-172.7 -99.0 123.1 7.2 -10.2 -31.6 53 49 A H S S- 0 0 130 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.758 81.8 -4.5 -74.2 -31.5 4.8 -13.0 -32.9 54 50 A R - 0 0 88 -7,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.952 67.4-161.0-154.3 166.9 3.6 -10.5 -35.5 55 51 A Y - 0 0 69 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.986 35.6 -83.6-154.2 160.2 4.0 -6.8 -36.5 56 52 A Y - 0 0 1 -11,-2.9 2,-0.9 -2,-0.3 -31,-0.1 -0.500 35.0-158.4 -68.0 121.0 2.3 -4.0 -38.5 57 53 A Q > - 0 0 63 -2,-0.3 3,-1.5 1,-0.2 4,-0.2 -0.829 8.9-175.2-107.8 92.8 3.2 -4.3 -42.2 58 54 A R G > S+ 0 0 59 -2,-0.9 3,-1.5 1,-0.3 6,-0.3 0.805 80.4 62.0 -56.9 -35.6 2.6 -0.8 -43.6 59 55 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.707 101.5 53.7 -64.4 -22.9 3.3 -1.9 -47.2 60 56 A L G < S+ 0 0 97 -3,-1.5 2,-0.7 1,-0.1 -1,-0.3 0.418 93.9 85.0 -90.4 -3.1 0.3 -4.3 -47.0 61 57 A S X - 0 0 8 -3,-1.5 3,-1.0 -4,-0.2 -36,-0.1 -0.893 56.0-170.5-104.6 115.3 -2.0 -1.4 -45.9 62 58 A S T 3 S+ 0 0 108 -36,-1.9 -1,-0.1 -2,-0.7 -3,-0.0 0.581 87.3 55.6 -77.9 -6.5 -3.5 0.6 -48.8 63 59 A T T 3 S+ 0 0 34 -37,-0.3 -1,-0.2 -36,-0.1 2,-0.1 0.450 79.8 118.4-103.8 -1.4 -4.9 3.2 -46.4 64 60 A Y < - 0 0 46 -3,-1.0 2,-0.4 -6,-0.3 23,-0.2 -0.409 43.1-167.9 -66.1 139.7 -1.5 4.0 -44.7 65 61 A R E -H 86 0A 151 21,-2.2 21,-2.4 -2,-0.1 2,-0.3 -0.989 15.6-138.2-130.5 120.1 -0.2 7.6 -45.0 66 62 A D E -H 85 0A 64 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.612 5.0-158.9 -76.0 130.5 3.4 8.4 -44.0 67 63 A L E - 0 0 62 17,-2.2 18,-0.2 -2,-0.3 -1,-0.1 0.440 31.5-128.6 -88.0 -2.4 3.7 11.7 -42.0 68 64 A R E S+ 0 0 220 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.895 72.1 114.9 54.5 45.6 7.4 12.1 -43.0 69 65 A K E - 0 0 100 15,-0.5 15,-3.0 2,-0.0 -2,-0.2 -0.985 53.9-148.0-146.3 129.4 8.3 12.6 -39.3 70 66 A G E -H 83 0A 43 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.535 5.2-151.6 -95.5 165.5 10.4 10.3 -37.0 71 67 A V E -H 82 0A 6 11,-2.3 11,-2.8 -2,-0.2 2,-0.4 -0.994 8.3-172.9-142.3 131.1 10.0 9.7 -33.3 72 68 A Y E -H 81 0A 123 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.994 5.1-178.1-128.8 116.5 12.8 8.8 -30.8 73 69 A V E +H 80 0A 9 7,-3.1 7,-1.3 -2,-0.4 2,-0.3 -0.757 5.9 178.9-124.2 85.8 11.8 7.9 -27.3 74 70 A P E -H 79 0A 55 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.671 19.9-179.4 -76.5 134.6 14.6 7.0 -24.8 75 71 A Y E > -H 78 0A 80 3,-3.1 3,-0.9 -2,-0.3 -2,-0.0 -0.852 43.0 -88.7-132.9 168.8 12.9 6.3 -21.4 76 72 A T T 3 S+ 0 0 127 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.779 123.7 25.9 -49.4 -34.6 14.1 5.4 -17.9 77 73 A Q T 3 S- 0 0 106 1,-0.1 2,-0.3 34,-0.0 -1,-0.2 0.358 131.0 -27.6-113.4 2.1 14.0 1.6 -18.6 78 74 A G E < -H 75 0A 6 -3,-0.9 -3,-3.1 2,-0.0 2,-0.3 -0.958 60.0-107.9 176.4-162.1 14.5 1.3 -22.4 79 75 A K E -HI 74 110A 69 31,-2.4 31,-2.7 -2,-0.3 2,-0.3 -0.994 14.2-171.5-157.0 152.5 14.0 2.9 -25.8 80 76 A W E -HI 73 109A 15 -7,-1.3 -7,-3.1 -2,-0.3 2,-0.3 -0.982 5.7-170.3-143.2 150.5 11.9 2.8 -29.0 81 77 A E E +HI 72 108A 85 27,-2.6 26,-1.6 -2,-0.3 27,-1.4 -0.965 20.8 139.2-135.3 152.5 12.3 4.7 -32.3 82 78 A G E -HI 71 106A 6 -11,-2.8 -11,-2.3 -2,-0.3 2,-0.4 -0.947 43.7 -85.6-170.7-169.1 9.9 4.9 -35.2 83 79 A E E -HI 70 105A 48 22,-1.7 22,-3.2 -2,-0.3 -13,-0.2 -0.973 35.2-128.9-122.3 135.8 8.1 6.7 -38.0 84 80 A L E + I 0 104A 6 -15,-3.0 -17,-2.2 -2,-0.4 -15,-0.5 -0.551 42.3 134.4 -85.2 146.6 4.8 8.6 -37.7 85 81 A G E -HI 66 103A 0 18,-1.4 18,-3.0 -19,-0.3 2,-0.3 -0.936 42.4-111.9-169.9 178.6 1.9 8.0 -40.0 86 82 A T E +HI 65 102A 20 -21,-2.4 -21,-2.2 -2,-0.3 2,-0.3 -0.955 34.3 154.9-128.0 153.8 -1.9 7.5 -40.0 87 83 A D E - 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