==== 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 25-JAN-13 3ZKX . COMPND 2 MOLECULE: BETA-SECRETASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.KUGLSTATTER,D.W.BANNER,J.BENZ,J.BERTSCHINGER,D.BURGER,S.CU . 592 5 5 2 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 57 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 1 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 . 0 1 2 3 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 . 4 8 7 1 8 8 1 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 0 3 1 2 1 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 16 A L > 0 0 142 0, 0.0 3,-0.7 0, 0.0 170,-0.0 0.000 360.0 360.0 360.0 -30.5 -25.2 -11.8 52.9 2 17 A A T 3 + 0 0 66 1,-0.2 90,-0.1 89,-0.1 164,-0.0 0.787 360.0 51.0 -70.3 -31.8 -21.4 -12.4 53.3 3 18 A M T > S+ 0 0 27 88,-0.1 3,-1.0 164,-0.1 162,-0.6 0.293 80.7 119.9 -89.0 4.9 -21.7 -14.5 50.1 4 19 A V T < S+ 0 0 50 -3,-0.7 160,-0.1 1,-0.3 87,-0.0 -0.642 87.5 3.5 -78.2 127.6 -23.5 -11.8 48.1 5 20 A D T 3 S+ 0 0 103 -2,-0.4 -1,-0.3 149,-0.1 159,-0.2 0.828 86.8 133.8 63.5 44.7 -21.4 -10.9 45.0 6 21 A N < + 0 0 8 -3,-1.0 12,-0.6 157,-0.2 2,-0.3 0.397 52.6 79.0 -97.8 -0.9 -18.7 -13.6 45.7 7 22 A L E -AB 17 163A 1 156,-2.5 156,-0.9 10,-0.1 2,-0.3 -0.780 58.8-166.4-105.6 154.9 -18.6 -14.8 42.0 8 23 A Q E +A 16 0A 112 8,-1.5 8,-2.6 -2,-0.3 2,-0.2 -0.931 45.2 38.2-133.8 155.2 -16.9 -13.2 39.0 9 24 A G E -A 15 0A 4 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.706 66.7-102.5 111.2-160.2 -17.4 -13.9 35.2 10 25 A D E > -A 14 0A 41 4,-0.6 4,-2.0 -2,-0.2 148,-0.1 -0.922 44.3 -78.9-158.4 174.4 -20.2 -14.7 32.8 11 26 A S T 4 S+ 0 0 13 -2,-0.3 311,-0.2 1,-0.2 312,-0.1 0.813 125.8 51.9 -52.3 -37.2 -21.8 -17.7 31.0 12 27 A G T 4 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.1 211,-0.1 0.940 123.2 22.7 -65.6 -58.1 -19.0 -17.5 28.4 13 28 A R T 4 S- 0 0 98 1,-0.2 102,-0.4 100,-0.1 103,-0.3 0.434 117.0-110.8 -93.6 -1.8 -15.8 -17.5 30.5 14 29 A G E < -A 10 0A 10 -4,-2.0 -4,-0.6 100,-0.1 2,-0.4 0.189 24.4 -86.7 86.0 153.7 -17.5 -19.2 33.5 15 30 A Y E -A 9 0A 2 205,-0.3 17,-2.6 17,-0.3 2,-0.4 -0.832 50.2-169.7 -95.3 127.8 -18.5 -18.1 37.0 16 31 A Y E -AC 8 31A 10 -8,-2.6 -8,-1.5 -2,-0.4 2,-0.3 -0.964 18.0-148.6-133.5 147.0 -15.7 -18.4 39.6 17 32 A L E -AC 7 30A 2 13,-2.7 13,-3.2 -2,-0.4 2,-0.4 -0.825 24.7-120.5-106.0 141.7 -15.2 -18.2 43.4 18 33 A E E - C 0 29A 50 -12,-0.6 2,-0.3 -2,-0.3 72,-0.3 -0.685 36.3-177.6 -83.5 130.1 -12.0 -17.1 45.2 19 34 A M E - C 0 28A 0 9,-2.2 9,-2.8 -2,-0.4 2,-0.5 -0.986 24.2-141.7-133.5 144.4 -10.5 -19.8 47.5 20 35 A L E -DC 87 27A 42 67,-2.4 67,-2.2 -2,-0.3 2,-0.4 -0.939 25.8-169.1-106.8 115.5 -7.5 -19.9 49.8 21 36 A I E > -DC 86 26A 0 5,-3.3 5,-2.0 -2,-0.5 65,-0.2 -0.939 38.3 -13.9-115.2 132.4 -5.7 -23.3 49.7 22 37 A G T 5S- 0 0 9 63,-2.9 36,-0.1 -2,-0.4 62,-0.1 -0.126 89.8 -32.9 82.2-174.6 -3.0 -24.6 52.0 23 38 A T T 5S+ 0 0 52 1,-0.2 36,-2.7 2,-0.1 37,-0.2 -0.966 133.6 22.5-132.4 114.4 -0.6 -23.3 54.7 24 39 A P T 5S- 0 0 95 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.584 120.0-104.3 -64.1 154.0 0.3 -20.5 54.3 25 40 A P T 5 - 0 0 89 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.224 30.0-159.9 -60.9 138.0 -2.7 -19.8 52.0 26 41 A Q E < -C 21 0A 37 -5,-2.0 -5,-3.3 -4,-0.0 2,-0.4 -0.954 19.7-131.9-112.4 128.0 -2.4 -19.6 48.2 27 42 A K E +C 20 0A 116 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.720 29.5 176.8 -86.5 131.2 -5.4 -17.8 46.4 28 43 A L E -C 19 0A 0 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.6 -0.913 31.1-126.9-133.9 159.5 -7.0 -19.4 43.4 29 44 A Q E -C 18 0A 40 -2,-0.3 88,-2.7 -11,-0.2 89,-0.8 -0.949 32.6-163.7-107.1 112.7 -10.0 -18.7 41.0 30 45 A I E -Ce 17 118A 0 -13,-3.2 -13,-2.7 -2,-0.6 89,-0.2 -0.905 16.0-130.9-111.7 123.0 -12.3 -21.7 41.0 31 46 A L E -Ce 16 119A 13 87,-2.7 89,-2.8 -2,-0.5 2,-0.7 -0.412 21.9-131.3 -64.9 130.8 -15.1 -22.4 38.4 32 47 A V E - e 0 120A 1 -17,-2.6 2,-0.5 87,-0.2 -17,-0.3 -0.811 31.8-179.9 -87.3 112.3 -18.5 -23.3 39.9 33 48 A D E > + e 0 121A 9 87,-2.6 89,-2.9 -2,-0.7 3,-0.8 -0.930 24.6 177.3-125.0 108.2 -19.7 -26.5 38.2 34 49 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.4 1,-0.2 184,-0.1 0.394 81.0 69.8 -84.5 4.6 -23.0 -28.1 39.1 35 50 A G T 3 S+ 0 0 11 154,-0.1 2,-0.2 88,-0.1 -1,-0.2 0.458 101.8 36.3 -99.6 -7.3 -22.3 -30.7 36.3 36 51 A S < - 0 0 10 -3,-0.8 87,-2.7 84,-0.1 92,-0.1 -0.827 62.9-142.9-137.2 175.5 -19.4 -32.6 37.9 37 52 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.2 100,-0.3 0.258 63.7 98.3-129.5 12.7 -18.3 -33.7 41.5 38 53 A N - 0 0 6 89,-0.1 83,-1.1 98,-0.1 2,-0.6 -0.863 57.4-146.3-107.4 139.0 -14.5 -33.3 41.7 39 54 A F E +F 120 0A 10 -2,-0.4 62,-1.8 81,-0.2 2,-0.3 -0.916 35.4 165.1 -98.7 116.6 -12.6 -30.3 43.3 40 55 A A E -Fg 119 101A 0 79,-2.3 79,-2.9 -2,-0.6 2,-0.3 -0.992 18.9-168.9-139.3 145.1 -9.4 -29.9 41.2 41 56 A V E -Fg 118 102A 0 60,-2.7 62,-3.0 -2,-0.3 77,-0.3 -0.961 36.7 -96.5-132.4 152.5 -6.7 -27.2 40.8 42 57 A A E - g 0 103A 3 75,-2.7 11,-3.1 -2,-0.3 62,-0.1 -0.485 37.4-178.7 -63.7 131.6 -3.9 -26.6 38.3 43 58 A G + 0 0 20 60,-2.5 12,-0.3 9,-0.2 61,-0.2 0.382 63.8 36.3-114.7 -4.1 -0.7 -27.9 40.0 44 59 A T S S- 0 0 62 59,-0.4 9,-0.1 7,-0.1 -1,-0.1 -0.919 100.3 -76.4-140.3 161.8 1.9 -27.1 37.4 45 60 A P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.254 47.2-172.9 -65.0 151.7 2.3 -24.0 35.0 46 61 A H B > -N 49 0B 65 3,-0.5 3,-1.4 1,-0.1 -4,-0.0 -0.990 33.5-120.9-146.6 147.4 0.1 -23.7 31.9 47 62 A S T 3 S+ 0 0 106 -2,-0.3 -1,-0.1 1,-0.3 64,-0.1 0.781 111.8 43.3 -56.3 -34.5 -0.0 -21.4 28.9 48 63 A Y T 3 S+ 0 0 118 62,-0.2 2,-0.3 64,-0.1 -1,-0.3 -0.039 105.4 70.1-111.4 35.9 -3.6 -20.2 29.5 49 64 A I B < -N 46 0B 19 -3,-1.4 -3,-0.5 61,-0.1 66,-0.1 -0.980 55.2-161.1-149.1 134.6 -3.4 -19.7 33.4 50 65 A D S S+ 0 0 169 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.539 79.2 32.8 -91.2 -12.2 -1.5 -17.0 35.4 51 66 A T + 0 0 65 -7,-0.1 2,-0.3 -22,-0.1 -9,-0.2 -0.986 59.1 179.4-146.4 151.2 -1.5 -18.9 38.8 52 67 A Y - 0 0 80 -2,-0.3 2,-0.5 -9,-0.1 -9,-0.2 -0.950 37.4 -97.9-145.5 161.5 -1.4 -22.6 40.0 53 68 A F - 0 0 0 -11,-3.1 2,-0.8 -2,-0.3 -12,-0.1 -0.755 30.9-155.4 -86.2 121.9 -1.4 -24.4 43.4 54 69 A D > - 0 0 35 -2,-0.5 3,-1.0 1,-0.1 4,-0.2 -0.888 6.7-168.4-100.6 104.7 2.2 -25.3 44.5 55 70 A T G > S+ 0 0 43 -2,-0.8 3,-0.9 -12,-0.3 6,-0.2 0.717 84.7 65.2 -63.9 -25.4 1.9 -28.4 46.9 56 71 A E G 3 S+ 0 0 181 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.755 98.4 54.2 -67.9 -29.1 5.6 -27.9 47.9 57 72 A R G < S+ 0 0 182 -3,-1.0 2,-0.5 2,-0.0 -1,-0.2 0.451 93.1 88.7 -84.6 -4.1 4.8 -24.5 49.4 58 73 A S < - 0 0 13 -3,-0.9 3,-0.4 -4,-0.2 -36,-0.1 -0.883 54.0-168.4-104.3 121.2 2.0 -26.1 51.7 59 74 A S S S+ 0 0 83 -36,-2.7 -1,-0.1 -2,-0.5 -4,-0.0 0.572 91.6 47.5 -78.2 -12.7 2.9 -27.4 55.2 60 75 A T S S+ 0 0 22 -37,-0.2 -1,-0.2 25,-0.1 2,-0.2 0.451 82.8 119.2-106.6 -7.4 -0.6 -29.2 55.5 61 76 A Y - 0 0 31 -3,-0.4 2,-0.4 -6,-0.2 23,-0.2 -0.435 39.7-176.1 -65.5 129.9 -0.7 -30.8 52.0 62 77 A R E -H 83 0A 79 21,-2.3 21,-2.4 -2,-0.2 2,-0.3 -0.989 17.2-137.3-130.6 137.6 -0.9 -34.7 52.1 63 78 A S E -H 82 0A 70 -2,-0.4 19,-0.3 19,-0.2 17,-0.0 -0.720 4.8-155.3 -93.3 141.3 -0.8 -37.1 49.1 64 79 A K E - 0 0 21 17,-2.4 18,-0.2 -2,-0.3 -1,-0.1 0.606 44.1-120.2 -87.2 -14.0 -3.1 -40.1 48.8 65 80 A G E S+ 0 0 68 16,-0.5 2,-0.3 1,-0.2 17,-0.1 0.684 76.2 88.9 82.6 23.3 -0.6 -41.8 46.5 66 81 A F E -H 81 0A 66 15,-0.5 15,-2.6 2,-0.0 -1,-0.2 -0.981 62.4-126.6-148.9 159.0 -2.8 -42.2 43.4 67 82 A D E -H 80 0A 86 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.469 13.4-161.9 -98.3 172.3 -4.0 -40.5 40.2 68 83 A V E -H 79 0A 10 11,-1.6 11,-2.9 -2,-0.2 2,-0.4 -0.963 6.7-156.0-155.5 139.9 -7.3 -39.6 38.6 69 84 A T E -H 78 0A 68 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.989 12.9-167.7-115.9 126.5 -8.5 -38.7 35.0 70 85 A V E -H 77 0A 10 7,-2.5 7,-1.9 -2,-0.4 2,-0.4 -0.991 2.5-161.4-123.3 125.5 -11.7 -36.7 34.7 71 86 A K E -H 76 0A 168 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.904 8.8-176.9-107.3 132.4 -13.4 -36.3 31.3 72 87 A Y - 0 0 50 3,-3.0 3,-0.3 -2,-0.4 -36,-0.0 -0.396 46.4 -92.8-111.1-171.6 -16.0 -33.6 30.6 73 88 A T S S+ 0 0 99 1,-0.3 2,-0.5 -2,-0.1 -1,-0.1 0.963 124.3 22.3 -69.5 -48.3 -18.1 -32.8 27.4 74 89 A Q S S+ 0 0 153 35,-0.0 -1,-0.3 -3,-0.0 2,-0.1 -0.972 127.7 3.1-120.3 107.7 -15.4 -30.3 26.3 75 90 A G - 0 0 11 -2,-0.5 -3,-3.0 -3,-0.3 2,-0.3 -0.109 54.3-144.3 105.1 162.8 -12.0 -31.1 27.9 76 91 A S E -HI 71 107A 27 31,-1.4 31,-2.9 -5,-0.2 2,-0.3 -0.963 9.1-167.8-160.0 155.1 -10.2 -33.6 30.3 77 92 A W E -HI 70 106A 1 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.4 -0.989 12.1-148.3-148.3 153.6 -7.4 -33.6 33.0 78 93 A T E +HI 69 105A 19 27,-2.9 26,-2.2 -2,-0.3 27,-1.0 -0.994 30.7 160.9-125.0 129.7 -5.2 -36.0 35.0 79 94 A G E -HI 68 103A 0 -11,-2.9 -11,-1.6 -2,-0.4 2,-0.3 -0.950 41.4-102.3-146.7 165.9 -4.1 -35.2 38.5 80 95 A F E -HI 67 102A 94 22,-1.9 22,-2.8 -2,-0.3 2,-0.5 -0.722 37.5-130.7 -86.5 137.3 -2.8 -36.5 41.8 81 96 A V E +HI 66 101A 1 -15,-2.6 -17,-2.4 -2,-0.3 -15,-0.5 -0.824 43.6 146.5 -92.6 126.4 -5.4 -36.9 44.5 82 97 A G E -HI 63 100A 0 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.655 39.1-115.6-137.5-166.4 -4.4 -35.3 47.9 83 98 A E E +HI 62 99A 2 -21,-2.4 -21,-2.3 16,-0.3 2,-0.3 -0.994 34.6 153.2-140.4 143.4 -5.9 -33.5 50.9 84 99 A D E - I 0 98A 0 14,-2.0 14,-2.2 -2,-0.3 2,-0.3 -0.978 43.8 -87.4-162.9 167.0 -5.4 -30.0 52.2 85 100 A L E - I 0 97A 26 -2,-0.3 -63,-2.9 12,-0.2 2,-0.3 -0.634 41.0-172.4 -83.4 137.1 -7.1 -27.1 54.2 86 101 A V E -DI 21 96A 0 10,-1.9 10,-1.9 -2,-0.3 2,-0.4 -0.979 9.6-167.7-132.1 140.7 -9.3 -24.7 52.4 87 102 A T E -D 20 0A 40 -67,-2.2 -67,-2.4 -2,-0.3 8,-0.1 -0.981 16.1-146.3-126.6 142.4 -11.0 -21.4 53.4 88 103 A I > - 0 0 1 6,-0.5 4,-1.7 -2,-0.4 6,-0.2 -0.948 14.6-163.7-105.2 101.3 -13.7 -19.5 51.5 89 104 A P T 4 S+ 0 0 41 0, 0.0 2,-1.4 0, 0.0 -1,-0.2 0.960 79.4 57.9 -53.5 -52.7 -12.9 -15.8 52.3 90 105 A K T 4 S+ 0 0 105 -72,-0.3 3,-0.1 1,-0.2 -84,-0.1 -0.625 125.6 5.9 -82.5 84.2 -16.2 -14.4 51.2 91 106 A G T 4 S+ 0 0 20 -2,-1.4 2,-0.3 1,-0.2 -1,-0.2 -0.288 117.1 57.2 143.6 -55.1 -18.7 -16.4 53.4 92 107 A F < - 0 0 24 -4,-1.7 -1,-0.2 -90,-0.1 53,-0.0 -0.835 48.6-162.2-112.3 148.6 -16.8 -18.6 56.0 93 108 A N S S+ 0 0 165 -2,-0.3 2,-0.3 -3,-0.1 -6,-0.0 -0.369 71.2 65.3-126.0 52.0 -14.3 -17.6 58.7 94 109 A T S S- 0 0 76 -6,-0.2 -6,-0.5 -8,-0.1 2,-0.2 -0.945 78.3-111.4-163.4 155.5 -12.8 -21.2 59.4 95 110 A S - 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