==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-NOV-05 2EWY . COMPND 2 MOLECULE: BETA-SECRETASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN . 1496 8 12 8 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1023 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 460 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 . 4 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 . 180 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 8 4 0 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 8 8 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 . 20 12 10 16 8 16 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 7 2 0 0 0 0 0 0 0 3 0 0 0 0 1 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 16 A L 0 0 107 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 58.7 115.5 51.6 1.5 2 17 A A + 0 0 89 1,-0.1 89,-0.1 89,-0.1 163,-0.0 -0.595 360.0 123.8-116.0 59.3 116.9 51.3 -2.0 3 18 A M > + 0 0 9 -2,-0.2 3,-1.4 88,-0.1 161,-0.6 0.063 34.9 140.2-104.8 13.9 116.6 47.5 -1.8 4 19 A V T 3 + 0 0 50 1,-0.3 159,-0.1 159,-0.1 -2,-0.0 -0.338 69.9 12.7 -62.2 142.0 114.5 47.6 -4.9 5 20 A D T 3 S+ 0 0 118 1,-0.1 -1,-0.3 156,-0.0 158,-0.2 0.744 86.3 134.3 61.7 23.2 115.1 44.8 -7.4 6 21 A N < + 0 0 9 -3,-1.4 12,-0.6 155,-0.1 2,-0.4 0.410 52.9 74.1 -83.8 3.4 117.1 43.1 -4.6 7 22 A L E -AB 17 162A 4 155,-2.4 155,-2.2 10,-0.1 2,-0.3 -0.937 59.6-166.6-120.3 141.3 115.3 39.7 -5.3 8 23 A Q E +A 16 0A 116 8,-2.3 8,-3.4 -2,-0.4 2,-0.3 -0.863 44.6 57.5-118.2 155.8 115.8 37.3 -8.2 9 24 A G E -A 15 0A 11 -2,-0.3 2,-0.3 151,-0.3 6,-0.2 -0.787 58.3-112.9 127.7-170.2 113.5 34.4 -9.1 10 25 A D E > -A 14 0A 75 4,-1.2 4,-2.1 -2,-0.3 3,-0.3 -0.965 41.5 -80.6-160.8 173.0 109.9 33.6 -10.1 11 26 A S T 4 S+ 0 0 7 -2,-0.3 668,-0.2 1,-0.2 314,-0.1 0.772 116.6 68.7 -51.4 -29.4 106.7 31.9 -9.0 12 27 A G T 4 S- 0 0 4 1,-0.2 667,-1.8 666,-0.1 -1,-0.2 0.962 122.4 -2.3 -60.1 -62.7 108.3 28.6 -10.2 13 28 A R T 4 S- 0 0 23 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.294 111.5 -96.3-118.4 11.0 111.1 27.9 -7.7 14 29 A G E < -A 10 0A 11 -4,-2.1 -4,-1.2 100,-0.1 2,-0.4 -0.192 36.8 -73.9 102.8 166.4 110.8 31.0 -5.4 15 30 A Y E -A 9 0A 5 17,-0.3 17,-2.8 -6,-0.2 2,-0.4 -0.874 45.4-161.1-105.6 134.0 112.4 34.4 -4.9 16 31 A Y E -AC 8 31A 12 -8,-3.4 -8,-2.3 -2,-0.4 2,-0.3 -0.925 12.6-151.4-127.2 145.7 115.8 34.7 -3.5 17 32 A L E -AC 7 30A 2 13,-3.1 13,-2.9 -2,-0.4 2,-0.5 -0.794 23.0-126.9-103.9 144.4 117.9 37.4 -1.8 18 33 A E E + C 0 29A 55 -12,-0.6 2,-0.3 -2,-0.3 72,-0.3 -0.831 33.8 172.1 -96.0 125.0 121.7 37.5 -2.1 19 34 A M E - C 0 28A 0 9,-1.9 9,-2.6 -2,-0.5 2,-0.5 -0.966 27.9-131.6-132.0 151.4 123.6 37.6 1.2 20 35 A L E -DC 87 27A 46 67,-3.0 67,-2.0 -2,-0.3 2,-0.4 -0.870 26.5-159.5-100.7 130.1 127.3 37.4 2.2 21 36 A I E > -DC 86 26A 0 5,-3.0 5,-1.7 -2,-0.5 65,-0.2 -0.907 37.5 -16.8-120.2 139.5 128.2 35.1 5.1 22 37 A G T 5S- 0 0 7 63,-2.5 36,-0.1 -2,-0.4 4,-0.1 -0.047 89.7 -32.1 75.6-175.0 131.1 34.8 7.4 23 38 A T T 5S+ 0 0 55 2,-0.1 36,-2.5 0, 0.0 37,-0.3 -0.969 133.3 23.3-132.4 115.5 134.7 36.1 7.4 24 39 A P T 5S- 0 0 90 0, 0.0 2,-0.2 0, 0.0 36,-0.1 0.635 119.4 -99.5 -64.5 177.6 135.9 36.4 4.7 25 40 A P T 5 - 0 0 89 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.466 31.0-160.0 -75.8 140.6 132.5 36.7 3.0 26 41 A Q E < -C 21 0A 20 -5,-1.7 -5,-3.0 -2,-0.2 2,-0.4 -0.985 21.5-128.8-118.4 122.9 130.9 33.7 1.2 27 42 A K E +C 20 0A 123 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.593 34.3 174.3 -76.5 122.0 128.3 34.6 -1.4 28 43 A L E -C 19 0A 1 -9,-2.6 -9,-1.9 -2,-0.4 2,-0.6 -0.911 29.9-134.6-128.0 157.8 125.0 32.7 -0.9 29 44 A Q E -C 18 0A 31 -2,-0.3 88,-2.6 -11,-0.2 89,-0.8 -0.891 26.8-161.2-114.0 103.1 121.5 32.9 -2.5 30 45 A I E -Ce 17 118A 0 -13,-2.9 -13,-3.1 -2,-0.6 2,-0.5 -0.677 14.1-134.1 -92.8 134.6 118.8 32.8 0.1 31 46 A L E -Ce 16 119A 17 87,-3.6 89,-3.4 -2,-0.4 2,-0.7 -0.691 24.0-129.3 -82.3 124.4 115.1 31.9 -0.6 32 47 A V E + e 0 120A 2 -17,-2.8 2,-0.5 -2,-0.5 -17,-0.3 -0.647 32.0 178.3 -79.2 114.2 112.8 34.4 1.1 33 48 A D E > + e 0 121A 7 87,-2.5 89,-2.3 -2,-0.7 3,-1.0 -0.877 23.3 176.8-124.0 104.5 110.2 32.4 3.1 34 49 A T T 3 S+ 0 0 0 -2,-0.5 155,-0.4 1,-0.2 183,-0.1 0.473 78.3 74.5 -79.7 0.6 107.5 34.2 5.1 35 50 A G T 3 S+ 0 0 12 153,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.248 101.0 24.5 -97.7 13.6 106.1 30.8 6.0 36 51 A S < - 0 0 10 -3,-1.0 87,-2.7 84,-0.1 92,-0.1 -0.957 66.0-127.2-160.7 177.6 108.8 29.7 8.5 37 52 A S + 0 0 5 90,-0.3 2,-0.4 -2,-0.3 100,-0.1 -0.021 63.1 96.9-132.2 38.0 111.4 31.0 10.9 38 53 A N - 0 0 8 90,-0.1 83,-1.4 98,-0.1 2,-0.6 -0.961 54.5-142.7-128.4 145.7 114.8 29.5 10.4 39 54 A F E +F 120 0A 11 -2,-0.4 62,-2.7 81,-0.2 2,-0.3 -0.904 37.2 159.8-101.2 123.7 117.9 30.7 8.6 40 55 A A E -Fg 119 101A 0 79,-1.9 79,-2.5 -2,-0.6 2,-0.3 -0.995 17.5-176.1-149.6 143.2 119.6 27.8 6.9 41 56 A V E -Fg 118 102A 0 60,-2.4 62,-2.8 -2,-0.3 77,-0.3 -0.900 44.2 -77.3-133.9 162.0 122.1 27.3 4.1 42 57 A A E - g 0 103A 1 75,-2.4 11,-2.6 -2,-0.3 62,-0.1 -0.388 38.1-174.3 -60.1 130.7 123.7 24.3 2.4 43 58 A G + 0 0 19 60,-2.2 12,-0.2 9,-0.2 -1,-0.2 0.457 69.5 22.7-105.7 -4.4 126.4 22.9 4.6 44 59 A T S S- 0 0 55 59,-0.4 7,-0.1 7,-0.1 9,-0.1 -0.925 99.7 -76.6-149.8 168.3 127.7 20.4 2.1 45 60 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.316 55.6-170.3 -67.4 158.5 127.6 20.0 -1.7 46 61 A H B > -N 49 0B 63 3,-0.5 3,-2.4 1,-0.1 5,-0.1 -0.988 36.0 -95.4-158.4 149.5 124.3 18.8 -3.1 47 62 A S T 3 S+ 0 0 96 -2,-0.3 -1,-0.1 1,-0.3 64,-0.0 0.638 117.7 23.4 -28.2 -43.2 122.4 17.5 -6.1 48 63 A Y T 3 S+ 0 0 83 64,-0.1 2,-0.3 62,-0.1 -1,-0.3 0.344 106.4 79.3-118.7 13.4 121.0 20.9 -7.3 49 64 A I B < -N 46 0B 22 -3,-2.4 -3,-0.5 61,-0.1 68,-0.1 -0.862 54.4-157.0-118.0 152.1 123.3 23.6 -5.8 50 65 A D S S+ 0 0 149 -2,-0.3 2,-0.3 65,-0.1 -1,-0.1 0.225 77.9 22.6-111.4 13.2 126.7 24.7 -7.0 51 66 A T - 0 0 54 -7,-0.1 2,-0.3 -5,-0.1 -9,-0.1 -0.976 58.2-173.9-167.6 162.6 127.9 26.2 -3.7 52 67 A Y - 0 0 76 -2,-0.3 2,-0.6 -9,-0.1 -9,-0.2 -0.966 38.6 -88.6-157.5 165.8 127.4 25.9 0.0 53 68 A F - 0 0 1 -11,-2.6 2,-0.9 -2,-0.3 3,-0.1 -0.737 33.9-155.3 -86.6 123.5 128.5 27.7 3.2 54 69 A D > - 0 0 44 -2,-0.6 3,-2.0 1,-0.2 4,-0.2 -0.818 4.6-165.9 -99.6 101.0 131.7 26.1 4.6 55 70 A T G > S+ 0 0 43 -2,-0.9 3,-1.7 1,-0.3 6,-0.2 0.838 83.4 66.6 -55.6 -33.1 131.9 26.9 8.3 56 71 A E G 3 S+ 0 0 179 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.667 97.6 54.0 -64.3 -14.1 135.5 25.9 8.5 57 72 A R G < S+ 0 0 162 -3,-2.0 2,-0.6 1,-0.1 -1,-0.3 0.319 90.1 86.2-102.2 9.5 136.6 28.9 6.4 58 73 A S X - 0 0 10 -3,-1.7 3,-1.5 -4,-0.2 -36,-0.1 -0.920 54.7-166.2-115.0 112.4 134.9 31.6 8.5 59 74 A S T 3 S+ 0 0 82 -36,-2.5 -1,-0.1 -2,-0.6 -37,-0.0 0.631 90.5 56.6 -69.0 -11.5 136.9 33.0 11.4 60 75 A T T 3 S+ 0 0 24 -37,-0.3 2,-0.3 -36,-0.1 -1,-0.3 0.420 80.7 108.8-100.0 0.6 133.7 34.6 12.7 61 76 A Y < - 0 0 34 -3,-1.5 2,-0.4 -6,-0.2 23,-0.2 -0.614 45.5-172.8 -80.6 134.6 131.6 31.4 13.0 62 77 A R E -H 83 0A 154 21,-1.6 21,-2.4 -2,-0.3 2,-0.4 -0.987 22.2-127.4-125.8 135.6 130.9 30.1 16.5 63 78 A S E -H 82 0A 85 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.678 7.4-155.6 -84.1 137.1 129.2 26.7 17.0 64 79 A K E - 0 0 83 17,-2.1 18,-0.2 -2,-0.4 -1,-0.1 0.536 40.6-117.5 -88.1 -6.3 126.2 26.8 19.2 65 80 A G E S+ 0 0 37 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.420 75.5 74.3 92.1 -2.0 126.6 23.1 20.1 66 81 A F E - 0 0 53 15,-0.5 15,-3.1 970,-0.0 2,-0.2 -0.955 65.6-121.8-145.2 162.8 123.5 21.4 18.8 67 82 A D E -H 80 0A 8 1047,-2.6 1049,-0.4 -2,-0.3 2,-0.3 -0.602 23.5-163.6 -97.6 160.2 121.7 20.2 15.7 68 83 A V E -H 79 0A 4 11,-2.4 11,-2.6 -2,-0.2 2,-0.4 -0.989 3.3-158.5-143.7 149.9 118.2 21.2 14.6 69 84 A T E -H 78 0A 27 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.983 4.2-167.5-137.5 127.6 115.7 19.8 12.1 70 85 A V E -H 77 0A 14 7,-1.5 7,-1.5 -2,-0.4 2,-0.6 -0.916 4.4-162.1-115.3 135.4 112.8 21.5 10.4 71 86 A K E -H 76 0A 73 -2,-0.4 5,-0.2 5,-0.2 881,-0.0 -0.945 11.3-170.2-118.9 117.0 110.0 19.9 8.5 72 87 A Y - 0 0 42 3,-1.7 3,-0.3 -2,-0.6 -36,-0.0 -0.138 52.0 -74.7 -87.4-172.6 108.0 22.0 6.1 73 88 A T S S+ 0 0 89 1,-0.3 2,-0.3 -2,-0.0 -1,-0.0 0.906 125.6 1.2 -51.5 -42.5 104.8 21.1 4.3 74 89 A Q S S+ 0 0 106 34,-0.1 -1,-0.3 35,-0.0 2,-0.1 -0.894 123.0 27.0-153.2 119.5 107.0 18.9 2.1 75 90 A G - 0 0 7 -3,-0.3 -3,-1.7 -2,-0.3 2,-0.3 -0.304 57.8-160.9 113.8 162.1 110.8 18.5 2.5 76 91 A S E -HI 71 107A 8 31,-1.9 31,-2.5 -5,-0.2 2,-0.3 -0.974 4.9-160.3-168.9 162.3 113.0 18.9 5.5 77 92 A W E -HI 70 106A 0 -7,-1.5 -7,-1.5 -2,-0.3 2,-0.4 -0.955 7.8-148.5-147.8 165.1 116.6 19.4 6.5 78 93 A T E +HI 69 105A 0 27,-2.8 26,-2.9 -2,-0.3 27,-1.3 -1.000 28.7 155.0-137.3 134.6 118.9 18.9 9.5 79 94 A G E -HI 68 103A 0 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.4 -0.959 44.0 -87.8-154.2 173.8 121.8 21.0 10.3 80 95 A F E -HI 67 102A 93 22,-1.6 22,-2.1 -2,-0.3 2,-0.4 -0.697 40.7-131.3 -86.4 136.7 124.2 22.4 12.9 81 96 A V E + I 0 101A 2 -15,-3.1 -17,-2.1 -2,-0.4 -15,-0.5 -0.732 44.6 138.9 -89.6 133.9 123.1 25.5 14.7 82 97 A G E -HI 63 100A 0 18,-1.9 18,-2.8 -2,-0.4 2,-0.3 -0.855 41.9-109.2-154.3-171.5 125.7 28.3 14.9 83 98 A E E +HI 62 99A 61 -21,-2.4 -21,-1.6 16,-0.3 2,-0.3 -0.916 34.8 150.4-128.9 156.5 126.3 32.0 14.7 84 99 A D E - I 0 98A 0 14,-1.5 14,-2.3 -2,-0.3 2,-0.2 -0.959 44.7 -85.4-176.1 163.9 128.0 34.2 12.2 85 100 A L E - I 0 97A 52 -2,-0.3 -63,-2.5 12,-0.2 2,-0.4 -0.572 39.5-165.9 -81.9 141.5 128.1 37.7 10.7 86 101 A V E -DI 21 96A 0 10,-2.1 10,-2.1 -2,-0.2 2,-0.4 -0.949 8.8-166.5-128.6 147.9 125.9 38.4 7.7 87 102 A T E -D 20 0A 34 -67,-2.0 -67,-3.0 -2,-0.4 6,-0.1 -0.996 11.8-153.1-135.2 125.7 125.9 41.2 5.2 88 103 A I E > - I 0 92A 2 4,-1.0 4,-1.5 -2,-0.4 -69,-0.2 -0.853 16.5-152.4-101.1 97.9 123.0 42.0 2.9 89 104 A P T 4 S+ 0 0 27 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.834 83.4 45.7 -29.8 -72.7 124.8 43.7 -0.0 90 105 A K T 4 S+ 0 0 125 -72,-0.3 2,-0.1 1,-0.1 -72,-0.1 -0.717 126.3 13.7 -84.4 101.3 122.0 45.8 -1.3 91 106 A G T 4 S+ 0 0 35 -2,-1.0 2,-0.5 -89,-0.1 -1,-0.1 -0.502 124.4 33.2 139.4 -71.8 120.4 47.4 1.8 92 107 A F E < + I 0 88A 27 -4,-1.5 -4,-1.0 -2,-0.1 53,-0.0 -0.978 49.9 178.3-123.4 118.0 122.6 47.1 4.9 93 108 A N E + 0 0 127 -2,-0.5 2,-0.6 -6,-0.1 -1,-0.1 0.190 63.0 87.5-103.8 17.0 126.3 47.1 4.5 94 109 A T E S- 0 0 117 -6,-0.1 -1,-0.1 -8,-0.0 -8,-0.1 -0.866 82.5-128.0-119.6 94.2 127.1 46.8 8.2 95 110 A S E - 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