==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-07 2OHM . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.PATEL . 377 2 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 68.2 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 . 108 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 48 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.1 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 . 4 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 3 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 . 3 3 5 2 3 3 1 0 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 . 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 -1 A F >> 0 0 95 0, 0.0 4,-1.2 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -13.6 66.5 60.2 -16.6 2 0 A V G >4 + 0 0 130 1,-0.2 3,-0.6 2,-0.2 171,-0.0 0.913 360.0 61.9 -51.0 -42.6 69.7 59.2 -18.6 3 1 A E G 34 S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.0 165,-0.0 0.775 107.3 41.3 -55.6 -30.2 71.4 61.3 -15.9 4 2 A M G X4 S+ 0 0 3 -3,-0.9 3,-1.5 162,-0.1 163,-0.6 0.663 84.2 111.3 -96.5 -17.3 70.1 59.0 -13.1 5 3 A V T << S+ 0 0 51 -4,-1.2 161,-0.1 -3,-0.6 -3,-0.0 -0.365 89.4 11.4 -61.3 129.9 70.7 55.6 -14.8 6 4 A D T 3 S+ 0 0 93 149,-0.1 -1,-0.3 1,-0.1 160,-0.2 0.775 83.5 134.6 75.6 28.5 73.6 53.8 -12.9 7 5 A N < + 0 0 15 -3,-1.5 12,-0.5 84,-0.1 2,-0.4 0.216 50.2 83.1 -92.8 12.2 73.7 56.2 -10.0 8 6 A L E +AB 18 165A 0 157,-2.0 157,-1.6 10,-0.1 2,-0.3 -0.954 51.2 170.9-116.9 139.3 73.8 53.4 -7.4 9 7 A R E +AB 17 164A 151 8,-2.3 8,-3.4 -2,-0.4 2,-0.3 -0.877 9.3 138.2-135.5 168.6 76.9 51.5 -6.3 10 8 A G E -AB 16 163A 0 153,-1.3 153,-1.4 -2,-0.3 2,-0.3 -0.976 41.9-100.8-178.9-175.4 77.6 49.0 -3.5 11 9 A K E > - B 0 162A 68 4,-0.8 3,-2.6 -2,-0.3 151,-0.2 -0.991 54.7 -79.1-133.9 146.8 79.4 45.9 -2.5 12 10 A S T 3 S+ 0 0 38 149,-2.0 146,-0.0 -2,-0.3 291,-0.0 -0.063 116.6 0.9 -46.4 127.8 77.8 42.5 -2.1 13 11 A G T 3 S+ 0 0 38 1,-0.1 -1,-0.3 290,-0.0 212,-0.1 0.142 114.7 87.3 79.5 -19.8 75.9 42.3 1.2 14 12 A Q S < S- 0 0 45 -3,-2.6 102,-0.2 1,-0.2 -2,-0.2 0.059 91.8-124.1 -98.1 23.1 76.8 45.9 2.1 15 13 A G - 0 0 21 -4,-0.1 -4,-0.8 -5,-0.1 2,-0.4 0.227 28.1 -62.6 64.6 178.1 73.8 47.5 0.3 16 14 A Y E -A 10 0A 11 17,-0.3 17,-3.1 206,-0.3 2,-0.3 -0.869 46.9-167.5-109.1 133.3 73.2 50.1 -2.4 17 15 A Y E -AC 9 32A 27 -8,-3.4 -8,-2.3 -2,-0.4 2,-0.3 -0.930 10.9-157.4-127.0 148.7 74.2 53.7 -2.1 18 16 A V E -AC 8 31A 2 13,-2.9 13,-3.1 -2,-0.3 2,-0.3 -0.895 28.4-114.5-115.9 143.5 73.6 57.0 -3.9 19 17 A E E + C 0 30A 64 -12,-0.5 72,-0.4 -2,-0.3 2,-0.3 -0.623 41.8 171.9 -74.2 137.9 75.8 60.1 -3.8 20 18 A M E - C 0 29A 0 9,-2.4 9,-2.4 -2,-0.3 2,-0.4 -0.929 25.5-136.7-137.8 162.0 74.1 63.0 -2.2 21 19 A T E -DC 88 28A 18 67,-3.4 67,-3.1 -2,-0.3 2,-0.3 -0.991 18.5-170.6-121.3 139.5 75.3 66.5 -1.1 22 20 A V E > +DC 87 27A 0 5,-2.2 5,-3.0 -2,-0.4 65,-0.2 -0.921 46.5 4.4-126.1 145.0 74.3 68.0 2.2 23 21 A G T 5S- 0 0 5 63,-0.6 4,-0.2 -2,-0.3 36,-0.1 0.297 90.5 -49.5 69.4 167.7 74.8 71.7 3.5 24 22 A S T 5S+ 0 0 28 2,-0.2 36,-2.3 -3,-0.0 37,-0.4 -0.984 129.9 32.5-124.9 121.7 76.3 74.8 1.8 25 23 A P T 5S- 0 0 94 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.614 120.6-102.7 -63.9 165.9 78.9 74.6 0.5 26 24 A P T 5 - 0 0 87 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.402 29.4-157.7 -72.5 130.9 77.9 71.0 -0.5 27 25 A Q E < -C 22 0A 29 -5,-3.0 -5,-2.2 -4,-0.2 2,-0.4 -0.936 18.5-138.1-100.2 123.0 79.5 68.1 1.5 28 26 A T E +C 21 0A 60 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.712 29.9 167.3 -84.4 128.2 79.4 64.9 -0.6 29 27 A L E -C 20 0A 2 -9,-2.4 -9,-2.4 -2,-0.4 2,-0.6 -0.963 36.2-124.5-131.6 149.0 78.4 61.7 1.2 30 28 A N E -C 19 0A 20 -2,-0.3 88,-3.0 -11,-0.2 89,-1.0 -0.906 34.5-162.0 -91.1 122.4 77.5 58.3 -0.1 31 29 A I E -Ce 18 119A 0 -13,-3.1 -13,-2.9 -2,-0.6 89,-0.3 -0.884 18.3-119.1-113.4 134.9 74.1 57.4 1.4 32 30 A L E -Ce 17 120A 18 87,-3.2 89,-3.0 -2,-0.4 2,-0.7 -0.480 24.0-131.4 -69.3 129.8 72.5 54.0 1.7 33 31 A V E + e 0 121A 1 -17,-3.1 2,-0.5 -2,-0.2 -17,-0.3 -0.753 34.7 175.6 -85.4 112.8 69.2 53.7 -0.2 34 32 A D E > + e 0 122A 14 87,-2.4 89,-2.4 -2,-0.7 3,-0.9 -0.868 26.6 176.5-132.9 101.8 66.7 52.1 2.3 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.6 1,-0.2 185,-0.2 0.388 79.4 71.8 -78.6 1.9 63.0 51.5 1.5 36 34 A G T 3 S+ 0 0 14 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.210 102.0 34.4-100.9 14.0 62.6 49.8 5.0 37 35 A S < - 0 0 5 -3,-0.9 87,-2.5 84,-0.1 86,-0.3 -0.970 63.8-140.8-162.7 169.4 62.9 52.9 7.1 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.174 61.8 102.9-131.3 14.9 62.0 56.6 6.9 39 37 A N - 0 0 8 98,-0.1 83,-2.3 89,-0.1 2,-0.6 -0.828 54.9-147.6-109.5 140.2 64.9 58.5 8.4 40 38 A F E +F 121 0A 7 -2,-0.4 62,-2.1 81,-0.2 2,-0.4 -0.953 35.7 162.4-102.8 113.3 67.7 60.5 6.7 41 39 A A E -Fg 120 102A 0 79,-1.9 79,-2.8 -2,-0.6 2,-0.3 -0.994 14.7-175.7-142.8 117.9 70.7 60.1 9.0 42 40 A V E -Fg 119 103A 0 60,-1.8 62,-3.3 -2,-0.4 77,-0.3 -0.873 37.8 -95.1-116.9 153.3 74.4 60.7 8.2 43 41 A G E - g 0 104A 1 75,-2.9 11,-3.9 -2,-0.3 62,-0.1 -0.465 37.1-179.9 -63.7 132.3 77.5 60.2 10.2 44 42 A A + 0 0 17 60,-2.5 12,-0.2 9,-0.3 -1,-0.1 0.182 59.4 54.7-121.3 13.4 78.5 63.4 12.0 45 43 A A S S- 0 0 36 59,-0.2 2,-2.7 7,-0.1 9,-0.1 -0.966 95.7 -93.6-151.0 151.6 81.7 62.3 13.8 46 44 A P + 0 0 94 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.356 47.5 174.9 -77.9 67.4 84.9 60.7 12.7 47 45 A H > - 0 0 63 -2,-2.7 3,-1.7 1,-0.1 -4,-0.0 -0.519 39.3-122.8 -61.7 137.6 84.0 57.1 13.4 48 46 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.691 107.3 57.6 -71.2 -19.5 87.0 55.3 12.0 49 47 A F T 3 S+ 0 0 74 64,-0.1 2,-0.4 69,-0.0 65,-0.2 0.497 88.3 100.2 -76.8 -8.0 85.1 53.1 9.5 50 48 A L < - 0 0 22 -3,-1.7 68,-0.1 1,-0.2 3,-0.1 -0.695 54.9-165.0 -89.9 131.4 83.8 56.3 7.8 51 49 A H S S- 0 0 111 -2,-0.4 2,-0.2 66,-0.1 -1,-0.2 0.888 81.3 -2.1 -72.1 -43.5 85.3 57.6 4.7 52 50 A R - 0 0 81 -22,-0.1 2,-0.3 -7,-0.0 -7,-0.1 -0.769 67.7-167.7-135.0 177.0 83.5 60.9 5.1 53 51 A Y - 0 0 69 -2,-0.2 2,-0.3 -25,-0.1 -9,-0.3 -0.947 34.3 -84.7-169.2 160.3 81.1 62.5 7.6 54 52 A Y - 0 0 2 -11,-3.9 2,-0.7 -2,-0.3 3,-0.1 -0.513 31.0-165.7 -76.2 125.2 78.8 65.5 8.0 55 53 A Q > - 0 0 59 -2,-0.3 3,-2.7 1,-0.2 4,-0.3 -0.782 5.8-177.2-112.8 83.6 80.5 68.6 9.4 56 54 A R G > S+ 0 0 48 -2,-0.7 3,-1.6 1,-0.3 6,-0.3 0.773 78.6 66.2 -52.6 -32.1 77.7 70.8 10.5 57 55 A Q G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.657 98.3 54.7 -64.3 -18.0 80.1 73.6 11.5 58 56 A L G < S+ 0 0 96 -3,-2.7 2,-0.6 1,-0.1 -1,-0.3 0.531 93.4 84.0 -92.9 -4.0 81.1 74.0 7.8 59 57 A S X - 0 0 10 -3,-1.6 3,-1.1 -4,-0.3 -36,-0.1 -0.885 54.4-167.7-113.0 117.6 77.5 74.5 6.6 60 58 A S T 3 S+ 0 0 101 -36,-2.3 -1,-0.1 -2,-0.6 -4,-0.0 0.643 89.1 55.9 -72.3 -18.3 75.9 78.0 6.7 61 59 A T T 3 S+ 0 0 32 -37,-0.4 -1,-0.2 -36,-0.1 2,-0.1 0.276 80.2 119.2-103.0 10.6 72.5 76.6 6.0 62 60 A Y < - 0 0 50 -3,-1.1 2,-0.3 -6,-0.3 23,-0.2 -0.479 40.9-170.9 -73.5 148.2 72.4 74.2 8.9 63 61 A R E -H 84 0A 144 21,-1.7 21,-1.6 -2,-0.1 2,-0.3 -0.944 18.7-134.3-144.3 118.1 69.7 74.6 11.6 64 62 A D E -H 83 0A 85 -2,-0.3 19,-0.3 19,-0.2 18,-0.1 -0.552 7.1-162.3 -74.1 129.3 69.7 72.7 14.9 65 63 A L E - 0 0 76 17,-1.8 18,-0.2 -2,-0.3 -1,-0.1 0.353 33.9-132.3 -85.8 -0.4 66.2 71.3 15.8 66 64 A R E + 0 0 228 16,-0.4 2,-0.3 1,-0.2 17,-0.1 0.899 68.1 104.0 49.3 52.8 67.5 70.9 19.3 67 65 A K E - 0 0 104 15,-0.5 15,-1.9 2,-0.0 2,-0.2 -0.966 58.3-134.8-151.8 158.9 66.2 67.4 19.8 68 66 A G E -H 81 0A 43 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.713 6.1-151.7-111.5 167.8 67.8 63.9 19.8 69 67 A V E -H 80 0A 6 11,-1.9 11,-2.5 -2,-0.2 2,-0.5 -0.992 3.8-167.2-138.1 131.0 66.9 60.5 18.2 70 68 A Y E -H 79 0A 138 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.993 10.1-177.3-117.8 129.2 67.8 57.1 19.6 71 69 A V E -H 78 0A 0 7,-3.0 7,-2.9 -2,-0.5 2,-0.2 -0.922 2.9-173.3-134.4 101.4 67.2 54.2 17.1 72 70 A P E +H 77 0A 74 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.562 9.3 167.3 -94.8 161.5 67.9 50.6 18.2 73 71 A Y - 0 0 92 3,-2.7 2,-0.4 -2,-0.2 37,-0.0 -0.404 57.5 -42.4-136.0-147.2 67.9 47.4 16.1 74 72 A T S S- 0 0 136 -2,-0.2 3,-0.1 1,-0.1 0, 0.0 -0.965 121.6 -38.7-127.1 114.3 69.1 43.9 17.0 75 73 A Q S S+ 0 0 162 -2,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.615 125.5 93.8-107.1 42.5 71.6 44.6 18.3 76 74 A G + 0 0 7 33,-0.2 -3,-2.7 34,-0.1 2,-0.3 -0.480 49.1 177.4 -74.0 155.9 72.8 47.5 16.2 77 75 A K E -HI 72 108A 28 31,-3.5 31,-3.7 -5,-0.3 2,-0.3 -0.976 17.7-163.2-155.1 152.0 71.8 51.0 17.1 78 76 A W E -HI 71 107A 2 -7,-2.9 -7,-3.0 -2,-0.3 2,-0.3 -0.983 6.3-171.0-134.3 161.2 72.3 54.6 16.1 79 77 A E E +HI 70 106A 58 27,-2.2 26,-2.2 -2,-0.3 27,-1.9 -0.991 17.6 149.4-151.4 137.3 71.8 57.8 18.0 80 78 A G E -HI 69 104A 6 -11,-2.5 -11,-1.9 -2,-0.3 2,-0.5 -0.889 41.9 -94.3-161.6-177.2 71.9 61.4 16.8 81 79 A E E -HI 68 103A 74 22,-1.9 22,-2.4 -2,-0.3 -13,-0.2 -0.977 38.2-128.4-122.3 122.5 70.8 65.1 16.8 82 80 A L E + I 0 102A 5 -15,-1.9 -17,-1.8 -2,-0.5 -15,-0.5 -0.385 43.0 138.5 -72.4 144.0 68.1 66.4 14.6 83 81 A G E -HI 64 101A 0 18,-1.6 18,-2.3 -19,-0.3 2,-0.3 -0.868 39.6-119.0-157.2-171.4 68.6 69.4 12.3 84 82 A T E +HI 63 100A 15 -21,-1.6 -21,-1.7 16,-0.3 2,-0.3 -0.990 32.7 152.4-143.0 154.8 67.8 70.6 8.8 85 83 A D E - I 0 99A 0 14,-1.6 14,-1.8 -2,-0.3 2,-0.8 -0.941 51.0 -69.9-166.1 174.5 69.9 71.7 5.9 86 84 A L E - I 0 98A 50 -2,-0.3 -63,-0.6 12,-0.2 2,-0.3 -0.705 47.8-167.6 -88.5 110.8 70.0 71.8 2.1 87 85 A V E +DI 22 97A 1 10,-3.1 10,-2.7 -2,-0.8 2,-0.3 -0.766 8.8 174.8 -99.2 142.5 70.2 68.4 0.5 88 86 A S E -D 21 0A 28 -67,-3.1 -67,-3.4 -2,-0.3 8,-0.1 -0.952 24.1-142.4-141.4 155.4 70.9 67.7 -3.2 89 87 A I > - 0 0 7 6,-0.5 3,-2.7 4,-0.5 -69,-0.2 -0.872 8.0-158.2-124.6 96.0 71.5 64.5 -5.4 90 88 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 -70,-0.1 0.841 96.8 34.3 -38.5 -53.4 74.2 65.0 -8.1 91 89 A H T 3 S+ 0 0 96 -72,-0.4 -84,-0.1 -84,-0.1 3,-0.1 -0.175 113.9 73.7-102.4 42.8 72.9 62.1 -10.2 92 90 A G S < S- 0 0 2 -3,-2.7 76,-0.1 1,-0.3 78,-0.0 -0.484 102.5 -44.5-125.0-162.1 69.2 62.8 -9.3 93 91 A P - 0 0 16 0, 0.0 2,-1.5 0, 0.0 -4,-0.5 -0.254 64.7 -99.7 -68.7 162.6 67.0 65.6 -10.4 94 92 A N S S+ 0 0 159 -6,-0.1 2,-0.3 -3,-0.1 -6,-0.0 -0.648 82.0 109.0 -86.6 83.7 68.3 69.2 -10.5 95 93 A V - 0 0 39 -2,-1.5 -6,-0.5 -6,-0.1 2,-0.4 -0.943 52.7-149.8-147.0 160.7 66.8 70.4 -7.2 96 94 A T - 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