==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JUN-09 3I25 . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.LINDBERG,N.BORKAKOTI,S.NYSTROM . 1119 9 9 0 9 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 762 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 333 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 3 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 . 130 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 9 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 6 6 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 13 8 9 6 14 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 6 0 0 0 0 0 0 0 0 3 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 46PA S > 0 0 68 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 142.3 -26.9 12.4 18.1 2 47PA F G >> + 0 0 69 1,-0.2 3,-2.0 2,-0.2 4,-0.9 0.794 360.0 63.6 -63.7 -31.8 -23.2 11.3 17.8 3 48PA V G >4 S+ 0 0 0 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.860 94.3 65.4 -60.0 -36.5 -22.4 13.0 14.4 4 1 A E G <4 S+ 0 0 74 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.732 105.3 43.9 -47.5 -28.0 -23.0 16.2 16.2 5 2 A M G X4 S+ 0 0 5 -3,-2.0 3,-1.7 -4,-0.4 162,-0.7 0.600 84.0 109.5-102.5 -14.6 -19.9 15.4 18.4 6 3 A V T << S+ 0 0 2 -4,-0.9 160,-0.1 -3,-0.8 -3,-0.0 -0.442 90.4 12.9 -59.7 136.2 -17.6 14.2 15.7 7 4 A D T 3 S+ 0 0 61 -2,-0.1 -1,-0.2 1,-0.1 159,-0.2 0.579 84.8 133.7 70.7 18.4 -14.8 16.8 15.3 8 5 A N < + 0 0 15 -3,-1.7 12,-0.6 84,-0.1 2,-0.4 0.400 51.3 80.7 -79.5 0.8 -15.7 18.7 18.5 9 6 A L E +AB 19 165A 0 156,-2.3 156,-0.8 10,-0.1 2,-0.3 -0.886 53.7 171.4-107.5 145.2 -12.1 18.9 19.7 10 7 A R E +AB 18 164A 105 8,-2.1 8,-2.7 -2,-0.4 2,-0.3 -0.864 6.8 144.4-132.4 167.3 -9.4 21.3 18.6 11 8 A G E -AB 17 163A 0 152,-1.2 152,-1.9 -2,-0.3 2,-0.4 -0.977 42.8 -94.2-179.5-176.7 -6.0 22.3 19.6 12 9 A K E >> -A 16 0A 60 4,-0.6 3,-3.9 -2,-0.3 4,-0.6 -0.941 59.7 -84.5-114.1 140.2 -2.5 23.4 18.7 13 10 A S T 34 S- 0 0 58 -2,-0.4 290,-0.1 1,-0.3 146,-0.0 -0.152 114.2 -2.6 -46.9 120.9 0.3 20.8 18.2 14 11 A G T 34 S+ 0 0 38 1,-0.1 -1,-0.3 211,-0.1 211,-0.1 0.488 114.2 91.3 77.1 7.2 1.6 20.0 21.7 15 12 A Q T <4 S- 0 0 61 -3,-3.9 -2,-0.2 1,-0.2 98,-0.1 0.476 92.9 -89.2-112.4 -4.1 -0.6 22.5 23.5 16 13 A G E < -A 12 0A 19 -4,-0.6 -4,-0.6 17,-0.0 2,-0.5 -0.004 29.8 -91.3 114.9 148.4 -3.7 20.4 24.4 17 14 A Y E -A 11 0A 11 205,-0.3 17,-3.1 17,-0.3 2,-0.3 -0.819 44.6-174.2 -94.8 129.6 -7.0 19.2 23.1 18 15 A Y E -AC 10 33A 15 -8,-2.7 -8,-2.1 -2,-0.5 2,-0.3 -0.909 18.1-153.2-130.7 151.3 -10.0 21.3 24.1 19 16 A V E -AC 9 32A 1 13,-2.3 13,-3.3 -2,-0.3 2,-0.3 -0.864 30.2-111.5-113.3 148.0 -13.8 21.1 23.8 20 17 A E E + C 0 31A 62 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.649 42.1 171.7 -79.5 134.6 -16.0 24.2 23.7 21 18 A M E - C 0 30A 1 9,-3.1 9,-2.6 -2,-0.3 2,-0.4 -0.974 24.7-141.0-137.2 156.4 -18.3 24.7 26.7 22 19 A T E -DC 89 29A 16 67,-2.5 67,-2.3 -2,-0.3 2,-0.4 -0.980 14.0-165.0-118.0 136.8 -20.6 27.4 28.0 23 20 A V E > -DC 88 28A 2 5,-2.1 5,-1.6 -2,-0.4 65,-0.2 -0.971 47.2 -7.6-116.2 128.9 -20.9 28.3 31.7 24 21 A G T 5S- 0 0 9 63,-3.2 36,-0.1 -2,-0.4 62,-0.1 -0.108 88.3 -38.4 93.8 177.8 -23.7 30.4 33.2 25 22 A S T 5S+ 0 0 35 1,-0.3 36,-2.5 2,-0.1 37,-0.4 -0.977 130.2 30.2-129.2 114.3 -26.8 32.4 32.2 26 23 A P T 5S- 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.556 118.9-106.3 -74.1 151.3 -26.4 34.1 29.7 27 24 A P T 5 - 0 0 91 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.136 29.4-156.3 -58.8 130.5 -23.9 31.5 28.4 28 25 A Q E < -C 23 0A 30 -5,-1.6 -5,-2.1 -4,-0.1 2,-0.3 -0.956 17.1-135.4-106.9 122.2 -20.2 32.4 28.4 29 26 A T E +C 22 0A 54 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.569 31.4 165.5 -80.1 134.0 -18.2 30.5 25.9 30 27 A L E -C 21 0A 2 -9,-2.6 -9,-3.1 -2,-0.3 2,-0.5 -0.982 35.6-125.0-144.5 151.2 -14.9 29.0 26.8 31 28 A N E -C 20 0A 12 -2,-0.3 88,-3.4 -11,-0.2 89,-0.8 -0.900 31.6-162.1 -98.2 126.2 -12.5 26.4 25.4 32 29 A I E -Ce 19 120A 1 -13,-3.3 -13,-2.3 -2,-0.5 89,-0.3 -0.938 17.5-123.4-122.8 117.3 -11.7 23.7 28.0 33 30 A L E -Ce 18 121A 15 87,-2.5 89,-3.4 -2,-0.5 2,-0.6 -0.314 25.9-127.2 -55.0 126.2 -8.8 21.2 28.0 34 31 A V E + e 0 122A 2 -17,-3.1 2,-0.5 87,-0.2 -17,-0.3 -0.705 35.2 177.5 -81.4 112.5 -10.0 17.6 28.0 35 32 A D E > + e 0 123A 8 87,-2.9 89,-3.3 -2,-0.6 3,-0.7 -0.922 24.9 174.8-126.3 105.6 -8.1 15.9 31.0 36 33 A T T 3 S+ 0 0 0 -2,-0.5 156,-0.5 87,-0.2 184,-0.2 0.437 78.6 73.0 -82.9 -1.2 -8.7 12.3 31.9 37 34 A G T 3 S+ 0 0 11 154,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.307 101.4 33.5 -90.2 8.7 -5.9 12.6 34.6 38 35 A S < - 0 0 9 -3,-0.7 87,-3.2 84,-0.1 92,-0.1 -0.913 62.5-141.1-154.9 172.0 -7.9 14.8 37.0 39 36 A S + 0 0 1 90,-0.4 2,-0.5 -2,-0.3 100,-0.2 0.231 64.3 99.7-129.9 13.5 -11.4 15.3 38.3 40 37 A N - 0 0 2 89,-0.1 83,-0.7 98,-0.1 2,-0.6 -0.874 55.6-148.7-105.0 136.8 -11.8 19.0 38.8 41 38 A F E +F 122 0A 6 -2,-0.5 62,-2.0 81,-0.2 2,-0.3 -0.881 34.2 162.1 -97.4 121.4 -13.6 21.3 36.4 42 39 A A E -Fg 121 103A 0 79,-2.0 79,-2.6 -2,-0.6 2,-0.4 -0.992 19.4-163.8-145.2 145.5 -12.0 24.8 36.6 43 40 A V E -Fg 120 104A 0 60,-2.4 62,-3.2 -2,-0.3 77,-0.3 -0.990 35.5 -96.7-134.9 140.6 -11.8 27.9 34.5 44 41 A G E + g 0 105A 0 75,-3.7 11,-2.9 -2,-0.4 62,-0.1 -0.275 45.4 167.7 -37.2 123.9 -9.8 31.1 34.1 45 42 A A + 0 0 10 60,-2.0 12,-0.2 9,-0.3 -1,-0.1 0.154 56.9 49.5-139.1 19.1 -11.9 33.6 36.1 46 43 A A S S- 0 0 29 59,-0.2 -1,-0.2 7,-0.1 9,-0.1 -0.955 99.1 -80.1-154.9 146.4 -9.4 36.5 36.5 47 44 A P + 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.102 50.6 173.6 -48.4 145.0 -7.2 38.3 33.8 48 45 A H > - 0 0 50 3,-0.3 3,-2.0 -4,-0.1 5,-0.0 -0.946 42.0-119.6-158.2 136.7 -4.0 36.5 32.9 49 46 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.690 115.7 47.5 -51.2 -25.0 -1.4 37.3 30.2 50 47 A F T 3 S+ 0 0 81 64,-0.1 2,-0.4 65,-0.0 65,-0.4 0.491 97.5 90.8 -98.0 -2.8 -2.1 33.9 28.5 51 48 A L < - 0 0 20 -3,-2.0 -3,-0.3 1,-0.1 3,-0.1 -0.791 45.1-178.6-101.8 133.0 -5.8 34.3 28.6 52 49 A H S S+ 0 0 155 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.636 80.9 6.9 -97.6 -21.4 -8.0 35.9 25.9 53 50 A R - 0 0 91 -7,-0.1 2,-0.3 -5,-0.0 -1,-0.2 -0.957 64.9-170.4-147.1 172.4 -11.1 35.4 27.9 54 51 A Y - 0 0 78 -2,-0.3 -9,-0.3 -9,-0.1 2,-0.2 -0.980 37.7 -82.2-155.6 155.9 -12.3 34.2 31.4 55 52 A Y - 0 0 1 -11,-2.9 2,-0.7 -2,-0.3 -31,-0.1 -0.448 35.2-156.2 -54.4 128.0 -15.3 33.2 33.4 56 53 A Q > - 0 0 61 -2,-0.2 3,-1.0 1,-0.2 4,-0.3 -0.867 10.5-176.4-114.1 94.1 -17.2 36.3 34.8 57 54 A R G > S+ 0 0 46 -2,-0.7 3,-1.7 1,-0.2 6,-0.3 0.853 80.7 62.1 -60.5 -36.9 -19.1 35.1 37.7 58 55 A Q G 3 S+ 0 0 141 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.821 100.4 56.1 -59.9 -29.4 -20.7 38.6 38.3 59 56 A L G < S+ 0 0 93 -3,-1.0 2,-0.6 2,-0.0 -1,-0.3 0.461 91.6 87.1 -81.9 -0.4 -22.3 38.3 34.8 60 57 A S X - 0 0 11 -3,-1.7 3,-0.7 -4,-0.3 -36,-0.1 -0.882 53.7-168.6-110.7 121.9 -24.1 35.0 35.6 61 58 A S T 3 S+ 0 0 104 -36,-2.5 -1,-0.1 -2,-0.6 -37,-0.0 0.703 91.9 52.9 -76.7 -17.7 -27.5 35.0 37.2 62 59 A T T 3 S+ 0 0 30 -37,-0.4 -1,-0.2 25,-0.1 2,-0.2 0.481 81.4 119.6 -98.4 -3.1 -27.3 31.3 37.9 63 60 A Y < - 0 0 48 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.434 42.7-168.8 -61.1 128.4 -23.9 31.4 39.6 64 61 A R E -H 85 0A 148 21,-2.2 21,-2.1 -2,-0.2 2,-0.3 -0.985 16.7-135.1-119.4 133.8 -23.8 30.2 43.3 65 62 A D E -H 84 0A 78 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.677 10.5-167.3 -81.8 136.0 -20.9 30.7 45.6 66 63 A L E - 0 0 72 17,-2.4 18,-0.2 -2,-0.3 -1,-0.1 0.527 32.6-134.2 -98.6 -10.7 -19.9 27.6 47.6 67 64 A R E + 0 0 221 16,-0.7 2,-0.3 1,-0.2 17,-0.1 0.918 64.8 115.4 62.5 49.8 -17.7 29.8 49.8 68 65 A K E - 0 0 87 15,-0.5 15,-3.1 2,-0.0 -1,-0.2 -0.985 57.2-137.6-150.3 131.9 -14.7 27.5 49.7 69 66 A G E -H 82 0A 55 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.456 22.0-164.5 -81.1 164.1 -11.2 28.0 48.3 70 67 A V E -H 81 0A 12 11,-2.0 11,-2.7 -2,-0.1 2,-0.4 -0.987 13.1-163.9-151.2 148.6 -9.4 25.2 46.3 71 68 A Y E -H 80 0A 91 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.993 6.2-168.4-128.2 136.5 -6.0 24.4 45.2 72 69 A V E -H 79 0A 6 7,-2.9 7,-2.0 -2,-0.4 2,-0.3 -0.948 4.0-166.8-129.0 115.0 -5.2 21.9 42.4 73 70 A P E +H 78 0A 42 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.762 10.8 175.9 -91.1 141.3 -1.6 20.7 41.9 74 71 A Y - 0 0 58 3,-2.2 -36,-0.0 -2,-0.3 -2,-0.0 -0.825 45.8 -94.0-131.8-178.0 -0.5 18.8 38.7 75 72 A T S S+ 0 0 99 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.885 123.1 32.0 -61.2 -42.3 2.7 17.5 37.3 76 73 A Q S S- 0 0 140 1,-0.2 2,-0.3 35,-0.0 -1,-0.2 0.712 130.0 -31.9 -95.7 -25.8 3.3 20.5 35.1 77 74 A G - 0 0 9 2,-0.0 -3,-2.2 34,-0.0 2,-0.3 -0.949 54.1-127.7-175.5-168.4 1.7 23.4 37.2 78 75 A K E -HI 73 109A 80 31,-1.7 31,-2.4 -2,-0.3 2,-0.3 -0.969 9.8-162.5-157.3 156.9 -1.0 24.3 39.7 79 76 A W E -HI 72 108A 2 -7,-2.0 -7,-2.9 -2,-0.3 2,-0.3 -0.976 4.9-155.0-141.5 163.9 -3.8 26.7 40.3 80 77 A E E +HI 71 107A 87 27,-3.0 26,-2.2 -2,-0.3 27,-1.8 -0.960 28.5 133.4-131.5 155.8 -5.9 28.0 43.1 81 78 A G E -HI 70 105A 6 -11,-2.7 -11,-2.0 -2,-0.3 2,-0.4 -0.909 47.9 -64.7-168.6-157.1 -9.3 29.5 43.1 82 79 A E E -HI 69 104A 81 22,-1.9 22,-2.7 -2,-0.3 2,-0.3 -0.953 40.0-126.2-118.4 129.4 -12.8 29.7 44.5 83 80 A L E + I 0 103A 1 -15,-3.1 -17,-2.4 -2,-0.4 -16,-0.7 -0.550 41.5 145.9 -77.6 138.4 -15.5 27.0 44.4 84 81 A G E -HI 65 102A 0 18,-2.3 18,-2.4 -2,-0.3 2,-0.3 -0.834 37.3-125.0-151.2 171.4 -19.0 27.7 42.9 85 82 A T E +HI 64 101A 17 -21,-2.1 -21,-2.2 -2,-0.3 2,-0.3 -0.895 32.9 155.9-120.9 161.5 -21.7 26.0 41.0 86 83 A D E - I 0 100A 0 14,-1.4 14,-2.8 -2,-0.3 2,-0.3 -0.958 46.7 -79.9-167.7 174.5 -23.3 27.1 37.7 87 84 A L E - I 0 99A 48 -2,-0.3 -63,-3.2 12,-0.2 2,-0.4 -0.665 47.0-170.9 -88.3 137.8 -25.1 25.8 34.7 88 85 A V E +DI 23 98A 1 10,-3.1 10,-2.4 -2,-0.3 2,-0.3 -0.982 10.4 174.0-132.7 142.4 -22.9 24.2 32.1 89 86 A S E -D 22 0A 29 -67,-2.3 -67,-2.5 -2,-0.4 8,-0.1 -0.948 25.2-137.6-142.8 161.3 -23.6 23.0 28.6 90 87 A I > - 0 0 9 4,-0.5 3,-1.2 6,-0.5 6,-0.2 -0.955 11.1-155.1-121.8 103.1 -21.5 21.6 25.7 91 88 A P T 3 S+ 0 0 58 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.875 97.4 33.8 -47.6 -47.8 -22.5 23.0 22.3 92 89 A H T 3 S+ 0 0 94 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.467 115.8 73.3-103.8 58.1 -21.1 20.0 20.2 93 90 A G S < S- 0 0 2 -3,-1.2 75,-0.0 -2,-0.5 -89,-0.0 -0.586 101.1 -36.4-145.0-162.8 -22.0 17.6 23.0 94 91 A P - 0 0 20 0, 0.0 2,-1.8 0, 0.0 -4,-0.5 -0.331 66.2-104.1 -69.9 160.1 -25.3 16.2 24.2 95 92 A N S S+ 0 0 164 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.472 82.1 104.1 -86.7 68.8 -28.3 18.5 24.2 96 93 A V - 0 0 47 -2,-1.8 -6,-0.5 -6,-0.2 2,-0.4 -0.960 56.7-144.3-145.6 159.4 -28.4 19.2 27.9 97 94 A T - 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