==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JAN-13 3ZL7 . COMPND 2 MOLECULE: BETA-SECRETASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.W.BANNER,A.KUGLSTATTER,J.BENZ,M.STIHLE,A.RUF . 425 5 3 0 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0.2 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 . 45 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 2 0 0 0 0 1 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 . 2 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 . 6 5 7 0 5 3 0 1 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 . 2 1 0 2 0 1 1 1 0 0 0 0 0 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 16 A L 0 0 136 0, 0.0 2,-0.4 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 132.6 -22.6 -8.8 14.3 2 17 A A - 0 0 43 145,-0.1 2,-0.7 2,-0.0 166,-0.3 -0.993 360.0-142.6-135.0 140.9 -20.5 -11.9 15.3 3 18 A M E -A 167 0A 3 164,-2.6 164,-2.7 -2,-0.4 2,-0.9 -0.891 15.5-161.7-101.4 107.0 -18.0 -14.2 13.6 4 19 A V E +A 166 0A 70 -2,-0.7 2,-0.4 162,-0.2 162,-0.2 -0.815 19.0 177.1 -93.3 101.0 -18.4 -17.8 14.8 5 20 A D E -A 165 0A 8 160,-2.4 160,-2.8 -2,-0.9 2,-0.2 -0.914 28.9-119.1-113.8 137.8 -15.2 -19.6 13.8 6 21 A N E -A 164 0A 79 -2,-0.4 12,-0.4 158,-0.2 2,-0.3 -0.489 26.1-145.6 -72.4 133.4 -14.2 -23.2 14.6 7 22 A L E -A 163 0A 0 156,-2.4 156,-1.8 -2,-0.2 2,-0.3 -0.774 8.1-147.6-102.1 147.0 -11.0 -23.7 16.7 8 23 A Q B +H 16 0B 51 8,-2.8 8,-2.6 -2,-0.3 2,-0.2 -0.772 53.1 24.9-113.0 156.8 -8.5 -26.6 16.3 9 24 A G S S- 0 0 23 -2,-0.3 2,-0.2 6,-0.2 6,-0.2 -0.565 75.6 -91.1 95.0-157.9 -6.3 -28.5 18.8 10 25 A D > - 0 0 46 4,-0.3 4,-1.8 -2,-0.2 148,-0.1 -0.756 40.2 -82.4-143.6-174.1 -6.7 -29.0 22.6 11 26 A S T 4 S+ 0 0 5 146,-0.3 305,-0.2 -2,-0.2 306,-0.2 0.828 122.3 52.8 -65.6 -36.8 -5.9 -27.5 26.0 12 27 A G T 4 S+ 0 0 11 145,-0.2 -1,-0.1 1,-0.2 211,-0.1 0.976 120.2 27.3 -63.3 -63.8 -2.4 -29.2 26.0 13 28 A R T 4 S- 0 0 54 1,-0.1 103,-0.2 391,-0.1 -2,-0.2 0.787 119.7-106.8 -70.8 -33.0 -1.1 -28.0 22.6 14 29 A G < - 0 0 2 -4,-1.8 2,-0.5 100,-0.1 -4,-0.3 0.106 31.1 -80.9 108.7 139.0 -3.2 -24.8 22.6 15 30 A Y - 0 0 2 205,-0.4 17,-3.0 17,-0.3 2,-0.4 -0.601 50.3-167.0 -75.5 117.4 -6.3 -23.7 20.7 16 31 A Y E -HI 8 31B 27 -8,-2.6 -8,-2.8 -2,-0.5 2,-0.4 -0.876 11.1-151.7-113.3 142.6 -5.4 -22.5 17.2 17 32 A L E - I 0 30B 0 13,-3.8 13,-2.9 -2,-0.4 2,-0.3 -0.891 22.4-119.9-110.4 137.5 -7.5 -20.6 14.5 18 33 A E E - I 0 29B 33 -12,-0.4 2,-0.3 -2,-0.4 11,-0.2 -0.616 36.0-175.8 -78.8 131.1 -6.9 -20.8 10.7 19 34 A M E - I 0 28B 0 9,-2.7 9,-3.1 -2,-0.3 2,-0.5 -0.988 23.9-147.6-134.6 144.0 -6.1 -17.4 9.1 20 35 A L E -JI 87 27B 42 67,-2.3 67,-2.6 -2,-0.3 2,-0.4 -0.945 25.2-171.0-109.2 115.8 -5.5 -16.1 5.5 21 36 A I E > -JI 86 26B 0 5,-2.1 5,-2.5 -2,-0.5 65,-0.2 -0.934 38.5 -10.8-116.6 137.3 -2.9 -13.3 5.3 22 37 A G T 5S- 0 0 6 63,-2.4 65,-0.1 -2,-0.4 36,-0.1 -0.135 91.0 -42.5 79.8-173.9 -1.9 -11.0 2.4 23 38 A T T 5S+ 0 0 59 1,-0.3 36,-2.6 2,-0.1 37,-0.3 -0.944 135.9 32.4-135.0 108.2 -2.6 -11.0 -1.3 24 39 A P T 5S- 0 0 88 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.517 117.4-116.3 -65.2 147.8 -2.4 -13.8 -2.5 25 40 A P T 5 - 0 0 79 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.402 23.4-151.1 -67.1 133.5 -3.7 -15.1 0.8 26 41 A Q E < -I 21 0B 32 -5,-2.5 -5,-2.1 -2,-0.1 2,-0.6 -0.922 14.8-132.3-105.2 119.0 -1.3 -17.4 2.8 27 42 A K E +I 20 0B 113 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.649 35.0 173.4 -77.1 115.1 -3.0 -20.0 5.1 28 43 A L E -I 19 0B 0 -9,-3.1 -9,-2.7 -2,-0.6 2,-0.6 -0.924 34.4-124.9-125.3 150.5 -1.4 -19.9 8.6 29 44 A Q E -I 18 0B 38 -2,-0.3 88,-2.5 -11,-0.2 89,-1.2 -0.851 31.9-167.4 -95.5 112.0 -2.2 -21.6 11.9 30 45 A I E -Ik 17 118B 0 -13,-2.9 -13,-3.8 -2,-0.6 89,-0.2 -0.930 14.4-136.7-112.8 118.1 -2.7 -18.9 14.6 31 46 A L E -Ik 16 119B 10 87,-3.0 89,-3.1 -2,-0.5 2,-0.6 -0.459 20.3-126.4 -69.3 132.9 -2.8 -19.7 18.4 32 47 A V E + k 0 120B 1 -17,-3.0 2,-0.5 -2,-0.2 -17,-0.3 -0.748 33.8 179.3 -84.9 114.6 -5.5 -17.9 20.4 33 48 A D E > + k 0 121B 9 87,-2.6 89,-2.3 -2,-0.6 3,-0.6 -0.954 21.8 176.9-125.0 110.4 -3.8 -16.1 23.3 34 49 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.2 1,-0.2 184,-0.1 0.500 80.6 68.5 -86.4 -6.1 -5.8 -14.0 25.8 35 50 A G T 3 S+ 0 0 15 154,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.242 101.4 49.1 -95.2 8.5 -2.7 -13.3 27.9 36 51 A S < - 0 0 12 -3,-0.6 87,-2.8 84,-0.2 86,-0.5 -0.909 60.2-152.3-141.6 165.8 -1.0 -11.2 25.2 37 52 A S + 0 0 4 -2,-0.3 2,-0.4 84,-0.2 100,-0.2 0.171 65.4 97.3-127.0 14.8 -2.0 -8.2 22.9 38 53 A N - 0 0 9 98,-0.1 2,-1.0 90,-0.1 83,-0.1 -0.925 59.0-149.1-113.7 130.9 0.3 -8.8 19.9 39 54 A F + 0 0 9 -2,-0.4 62,-1.7 81,-0.2 2,-0.3 -0.836 35.4 168.9 -96.0 96.4 -0.7 -10.5 16.6 40 55 A A E +lM 101 119B 0 79,-1.5 79,-3.5 -2,-1.0 2,-0.3 -0.896 14.6 180.0-116.3 145.0 2.6 -12.1 15.5 41 56 A V E -lM 102 118B 0 60,-3.1 62,-3.0 -2,-0.3 2,-0.4 -0.885 40.7 -88.4-133.4 163.7 3.5 -14.7 12.8 42 57 A A E -l 103 0B 0 75,-1.4 11,-3.1 -2,-0.3 62,-0.1 -0.638 35.8-178.6 -77.3 124.9 6.7 -16.4 11.5 43 58 A G + 0 0 18 60,-2.6 12,-0.3 -2,-0.4 61,-0.2 0.441 67.0 41.3-102.1 -6.3 8.3 -14.3 8.8 44 59 A T S S- 0 0 48 59,-0.8 9,-0.1 10,-0.1 59,-0.1 -0.928 98.1 -87.5-135.4 157.3 11.3 -16.6 8.1 45 60 A P + 0 0 94 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.423 55.3 176.3 -66.9 144.5 11.5 -20.5 7.7 46 61 A H > - 0 0 70 3,-0.4 3,-1.1 -4,-0.1 2,-0.1 -0.959 34.4 -85.9-146.9 162.6 12.2 -22.2 11.1 47 62 A S T 3 S+ 0 0 30 -2,-0.3 336,-0.1 1,-0.2 3,-0.1 -0.466 109.9 18.9 -70.2 141.8 12.5 -25.6 12.8 48 63 A Y T 3 S+ 0 0 26 334,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.457 104.4 100.5 73.4 9.8 9.3 -27.3 13.9 49 64 A I < - 0 0 24 -3,-1.1 -3,-0.4 1,-0.1 -1,-0.1 -0.989 52.0-165.7-126.7 130.1 7.1 -25.1 11.6 50 65 A D S S+ 0 0 175 -2,-0.4 2,-0.3 65,-0.2 -1,-0.1 0.842 75.4 22.3 -79.2 -39.1 5.7 -26.3 8.2 51 66 A T - 0 0 49 -22,-0.1 2,-0.3 -6,-0.0 -9,-0.2 -0.927 59.4-177.9-133.9 156.6 4.7 -22.8 6.9 52 67 A Y - 0 0 67 -2,-0.3 2,-0.6 -9,-0.1 -9,-0.2 -0.938 36.5 -95.3-145.3 162.9 5.5 -19.1 7.5 53 68 A F - 0 0 0 -11,-3.1 2,-0.7 -2,-0.3 -12,-0.1 -0.771 30.1-156.1 -90.4 116.2 4.3 -15.6 6.2 54 69 A D - 0 0 35 -2,-0.6 4,-0.5 1,-0.2 3,-0.4 -0.837 5.8-168.8 -93.0 112.5 6.4 -14.2 3.3 55 70 A T S > S+ 0 0 37 -2,-0.7 3,-0.6 -12,-0.3 6,-0.3 0.812 86.2 57.6 -68.9 -34.9 6.0 -10.4 3.2 56 71 A E T 3 S+ 0 0 184 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.694 102.7 54.8 -70.3 -22.2 7.7 -10.1 -0.2 57 72 A R T 3 S+ 0 0 185 -3,-0.4 2,-0.4 -33,-0.0 -1,-0.2 0.626 95.3 82.7 -84.4 -17.7 5.1 -12.4 -1.8 58 73 A S < - 0 0 11 -3,-0.6 3,-0.2 -4,-0.5 -36,-0.1 -0.796 57.8-167.0 -94.6 128.4 2.2 -10.2 -0.5 59 74 A S S S+ 0 0 85 -36,-2.6 -1,-0.1 -2,-0.4 -4,-0.0 0.667 88.8 54.8 -83.6 -21.6 1.3 -7.1 -2.6 60 75 A T S S+ 0 0 41 -37,-0.3 2,-0.2 25,-0.1 -1,-0.2 0.503 80.2 115.2 -90.7 -7.8 -0.9 -5.6 0.2 61 76 A Y - 0 0 25 -6,-0.3 2,-0.5 -3,-0.2 23,-0.2 -0.471 44.9-168.9 -69.6 131.1 1.9 -5.7 2.9 62 77 A R E -N 83 0B 147 21,-2.4 21,-2.1 -2,-0.2 2,-0.4 -0.983 16.7-138.1-124.1 112.9 3.0 -2.2 4.1 63 78 A S E -N 82 0B 84 -2,-0.5 19,-0.3 19,-0.2 18,-0.0 -0.601 2.4-153.0 -73.9 125.5 6.1 -2.1 6.3 64 79 A K E - 0 0 87 17,-1.5 18,-0.2 -2,-0.4 -1,-0.1 0.481 41.2-114.6 -77.4 -3.0 5.7 0.3 9.3 65 80 A G E S+ 0 0 69 16,-0.3 2,-0.3 1,-0.2 17,-0.1 0.573 82.1 71.1 81.1 15.7 9.5 0.8 9.3 66 81 A F E -N 81 0B 82 15,-0.8 15,-2.9 2,-0.0 2,-0.3 -0.938 60.0-140.7-151.6 170.8 10.3 -0.8 12.7 67 82 A D E -N 80 0B 82 13,-0.3 2,-0.3 -2,-0.3 13,-0.2 -0.940 11.2-149.5-136.5 156.3 10.6 -4.1 14.7 68 83 A V E -N 79 0B 14 11,-2.0 11,-2.0 -2,-0.3 2,-0.5 -0.968 7.2-143.8-132.7 146.4 9.7 -5.2 18.3 69 84 A T E -N 78 0B 77 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.943 18.5-170.8-109.5 123.4 11.0 -7.8 20.8 70 85 A V E -N 77 0B 16 7,-2.1 7,-1.5 -2,-0.5 2,-0.3 -0.977 5.2-158.3-121.2 123.6 8.4 -9.6 23.1 71 86 A K E -N 76 0B 176 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.789 11.4-175.1-101.0 142.5 9.4 -11.9 26.0 72 87 A Y - 0 0 66 3,-3.1 3,-0.5 -2,-0.3 37,-0.0 -0.480 46.6 -83.8-119.7-171.9 7.1 -14.6 27.5 73 88 A T S S+ 0 0 109 1,-0.3 2,-0.2 -2,-0.2 3,-0.0 0.899 126.0 3.1 -62.8 -42.7 7.2 -17.1 30.5 74 89 A Q S S+ 0 0 121 34,-0.1 -1,-0.3 35,-0.0 2,-0.2 -0.716 127.1 41.8-147.5 82.2 9.3 -19.5 28.4 75 90 A G - 0 0 12 -3,-0.5 -3,-3.1 -2,-0.2 2,-0.3 -0.617 50.7-161.2 149.4 153.9 10.1 -17.9 25.0 76 91 A S E -NO 71 107B 33 31,-1.7 31,-2.8 -5,-0.2 2,-0.3 -0.978 8.5-178.5-156.4 150.4 11.1 -14.7 23.1 77 92 A W E -NO 70 106B 2 -7,-1.5 -7,-2.1 -2,-0.3 2,-0.4 -0.988 18.8-149.7-151.6 156.9 11.0 -13.3 19.6 78 93 A T E +NO 69 105B 22 27,-2.6 26,-2.1 -2,-0.3 27,-1.5 -0.998 29.8 173.1-129.7 119.5 12.0 -10.2 17.4 79 94 A G E -NO 68 103B 0 -11,-2.0 -11,-2.0 -2,-0.4 24,-0.3 -0.992 36.7-104.6-137.9 145.7 9.8 -9.4 14.4 80 95 A F E -NO 67 102B 99 22,-1.9 22,-2.7 -2,-0.3 2,-0.5 -0.428 37.5-134.7 -64.0 125.3 9.3 -6.8 11.7 81 96 A V E +NO 66 101B 3 -15,-2.9 -17,-1.5 20,-0.2 -15,-0.8 -0.754 46.8 124.7 -90.2 126.6 6.2 -4.6 12.4 82 97 A G E -NO 63 100B 0 18,-2.6 18,-3.1 -2,-0.5 2,-0.3 -0.800 48.9-103.5-155.0-165.9 3.9 -3.9 9.5 83 98 A E E +NO 62 99B 52 -21,-2.1 -21,-2.4 16,-0.3 2,-0.3 -0.998 34.7 154.6-143.5 136.9 0.3 -4.1 8.3 84 99 A D E - O 0 98B 1 14,-1.7 14,-2.1 -2,-0.3 2,-0.3 -0.935 44.8 -80.6-150.5 168.8 -1.6 -6.5 5.9 85 100 A L E - O 0 97B 42 -2,-0.3 -63,-2.4 12,-0.2 2,-0.4 -0.592 36.8-164.8 -79.5 135.2 -5.1 -7.9 5.2 86 101 A V E -JO 21 96B 2 10,-2.1 10,-1.4 -2,-0.3 2,-0.4 -0.988 6.2-176.8-125.1 121.5 -6.4 -10.8 7.3 87 102 A T E -J 20 0B 39 -67,-2.6 -67,-2.3 -2,-0.4 8,-0.1 -0.973 18.4-144.2-117.8 129.2 -9.5 -12.9 6.2 88 103 A I - 0 0 4 -2,-0.4 3,-0.2 6,-0.4 -69,-0.1 -0.860 17.8-137.2 -95.6 117.9 -10.9 -15.7 8.4 89 104 A P S S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.877 93.8 23.7 -39.9 -72.1 -12.1 -18.6 6.1 90 105 A K S S+ 0 0 178 -84,-0.1 -86,-0.1 -87,-0.0 3,-0.1 0.654 122.3 63.5 -73.6 -17.6 -15.5 -19.8 7.6 91 106 A G S S+ 0 0 24 1,-0.2 2,-0.0 -3,-0.2 -87,-0.0 0.615 98.5 3.6 -78.3-134.0 -16.1 -16.4 9.2 92 107 A F - 0 0 23 1,-0.1 -4,-0.3 2,-0.1 -1,-0.2 -0.305 54.8-139.6 -62.1 137.7 -16.6 -12.9 7.7 93 108 A N S S+ 0 0 152 -3,-0.1 2,-0.2 -6,-0.1 -1,-0.1 0.732 81.3 74.1 -66.5 -29.7 -16.7 -12.5 3.9 94 109 A T S S- 0 0 72 1,-0.0 -6,-0.4 51,-0.0 2,-0.2 -0.551 77.2-126.6 -91.8 154.6 -14.6 -9.2 4.0 95 110 A S - 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