==== 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 2OHP . 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) . 16865.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 69.0 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 . 109 28.9 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 . 3 0.8 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 4 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 3 2 3 4 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 . 1 0 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 0 107 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -0.1 66.3 61.1 -16.3 2 0 A V T 34 + 0 0 129 1,-0.3 3,-0.2 2,-0.2 171,-0.0 0.757 360.0 63.7 -66.4 -24.6 69.6 60.1 -18.1 3 1 A E T 34 S+ 0 0 92 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.866 105.8 46.3 -59.9 -34.7 71.4 62.2 -15.5 4 2 A M T X4 S+ 0 0 6 -3,-0.9 3,-1.6 2,-0.1 163,-0.7 0.609 85.1 110.4 -87.1 -13.7 70.1 59.8 -12.9 5 3 A V T 3< S+ 0 0 53 -4,-0.7 161,-0.1 1,-0.3 -3,-0.0 -0.363 90.8 7.7 -64.8 140.2 70.9 56.5 -14.7 6 4 A D T 3 S+ 0 0 89 1,-0.1 -1,-0.3 149,-0.1 160,-0.2 0.706 86.0 136.9 61.2 24.6 73.7 54.6 -13.0 7 5 A N < + 0 0 14 -3,-1.6 12,-0.6 84,-0.1 2,-0.4 0.411 50.6 80.3 -81.9 4.4 73.7 57.0 -10.0 8 6 A L E +AB 18 165A 0 157,-2.0 157,-1.4 10,-0.1 2,-0.3 -0.894 53.7 173.9-116.5 147.1 73.9 54.2 -7.4 9 7 A R E +AB 17 164A 101 8,-2.0 8,-2.5 -2,-0.4 2,-0.3 -0.829 12.5 125.2-140.3 171.4 77.0 52.3 -6.3 10 8 A G E -AB 16 163A 2 153,-1.0 153,-1.7 -2,-0.3 2,-0.3 -0.997 43.5 -96.3 166.8-170.6 77.9 49.6 -3.8 11 9 A K E > - B 0 162A 66 4,-0.9 3,-2.0 -2,-0.3 4,-0.2 -0.982 52.7 -79.9-142.3 151.8 79.3 46.3 -2.8 12 10 A S T 3 S+ 0 0 34 149,-1.5 291,-0.1 -2,-0.3 213,-0.0 -0.197 116.5 4.6 -54.9 134.3 77.6 42.9 -2.2 13 11 A G T 3 S+ 0 0 36 1,-0.1 -1,-0.3 289,-0.1 212,-0.1 0.118 115.4 85.0 79.1 -19.8 76.0 42.7 1.3 14 12 A Q S < S- 0 0 38 -3,-2.0 -2,-0.2 1,-0.2 -1,-0.1 0.169 91.3-124.1-102.1 13.4 76.9 46.4 2.0 15 13 A G - 0 0 17 -4,-0.2 -4,-0.9 -5,-0.1 2,-0.4 0.133 26.9 -69.6 74.6 175.0 73.9 48.0 0.3 16 14 A Y E -A 10 0A 9 17,-0.4 17,-2.9 206,-0.4 2,-0.3 -0.883 47.0-168.8-110.3 138.9 73.4 50.7 -2.5 17 15 A Y E -AC 9 32A 25 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.3 -0.920 11.0-152.4-130.9 155.5 74.3 54.3 -2.0 18 16 A V E -AC 8 31A 2 13,-2.8 13,-3.1 -2,-0.3 2,-0.4 -0.904 28.9-108.3-124.4 145.4 73.8 57.6 -3.8 19 17 A E E + C 0 30A 60 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.641 44.5 172.9 -72.1 127.5 76.0 60.8 -3.7 20 18 A M E - C 0 29A 0 9,-3.1 9,-2.9 -2,-0.4 2,-0.4 -0.912 22.9-140.8-129.1 160.9 74.3 63.6 -1.8 21 19 A T E -DC 88 28A 19 67,-2.6 67,-2.5 -2,-0.3 2,-0.3 -0.982 16.2-169.3-123.8 142.5 75.4 67.1 -0.7 22 20 A V E > -DC 87 27A 0 5,-1.8 5,-2.2 -2,-0.4 65,-0.2 -0.976 45.2 -3.2-132.0 141.4 74.6 68.7 2.6 23 21 A G T 5S- 0 0 6 63,-2.0 4,-0.2 -2,-0.3 36,-0.1 0.043 91.7 -42.2 71.0 177.5 75.0 72.3 3.9 24 22 A S T 5S+ 0 0 31 2,-0.2 36,-2.1 -3,-0.0 37,-0.3 -0.996 130.1 31.7-131.3 125.7 76.5 75.4 2.3 25 23 A P T 5S- 0 0 96 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 0.645 119.5-102.2 -63.8 160.0 79.0 75.2 0.8 26 24 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.309 29.3-154.7 -63.0 131.4 78.0 71.6 -0.2 27 25 A Q E < -C 22 0A 24 -5,-2.2 -5,-1.8 -4,-0.2 2,-0.4 -0.930 17.4-136.4-101.0 121.5 79.6 68.7 1.6 28 26 A T E +C 21 0A 66 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.651 31.1 167.7 -76.6 126.8 79.6 65.5 -0.6 29 27 A L E -C 20 0A 2 -9,-2.9 -9,-3.1 -2,-0.4 2,-0.5 -0.972 35.5-124.3-135.2 151.0 78.6 62.2 1.1 30 28 A N E -C 19 0A 22 -2,-0.3 88,-2.7 -11,-0.2 89,-0.7 -0.884 33.6-163.6 -95.0 126.1 77.7 58.7 -0.0 31 29 A I E -Ce 18 119A 0 -13,-3.1 -13,-2.8 -2,-0.5 89,-0.3 -0.944 17.9-124.3-126.3 121.5 74.3 57.8 1.4 32 30 A L E -Ce 17 120A 17 87,-2.6 89,-3.7 -2,-0.5 2,-0.6 -0.401 24.9-129.2 -62.6 129.6 72.8 54.4 1.6 33 31 A V E + e 0 121A 0 -17,-2.9 2,-0.5 87,-0.2 -17,-0.4 -0.737 33.0 177.6 -85.7 115.3 69.3 54.1 -0.1 34 32 A D E > + e 0 122A 17 87,-2.3 89,-2.8 -2,-0.6 3,-1.1 -0.862 25.4 174.2-131.0 97.9 66.9 52.6 2.4 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.5 1,-0.2 185,-0.2 0.468 81.3 71.1 -80.5 2.1 63.2 52.1 1.6 36 34 A G T 3 S+ 0 0 14 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.314 102.2 34.4 -99.9 7.8 63.0 50.2 5.0 37 35 A S < - 0 0 23 -3,-1.1 87,-3.1 84,-0.2 86,-0.2 -0.927 63.0-141.9-152.4 173.0 63.4 53.3 7.2 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.296 62.3 98.1-132.1 13.1 62.4 57.0 7.3 39 37 A N - 0 0 14 89,-0.1 83,-1.4 98,-0.1 2,-0.8 -0.861 58.9-143.3-105.6 134.9 65.3 59.0 8.8 40 38 A F E +F 121 0A 6 -2,-0.4 62,-2.2 81,-0.2 2,-0.4 -0.901 38.4 168.7 -86.5 111.2 68.0 60.9 6.9 41 39 A A E -Fg 120 102A 0 79,-2.2 79,-3.2 -2,-0.8 2,-0.4 -0.998 11.8-177.0-134.3 130.7 71.0 60.2 9.2 42 40 A V E -Fg 119 103A 0 60,-2.3 62,-3.1 -2,-0.4 77,-0.3 -0.972 36.2 -97.9-131.8 143.8 74.7 60.9 8.5 43 41 A G E + g 0 104A 1 75,-3.5 11,-3.5 -2,-0.4 62,-0.1 -0.370 38.0 175.9 -54.7 130.9 78.0 60.4 10.2 44 42 A A + 0 0 16 60,-2.3 12,-0.2 9,-0.3 -1,-0.1 0.247 57.3 53.0-125.3 6.1 78.9 63.7 11.9 45 43 A A S S- 0 0 38 59,-0.3 2,-2.6 7,-0.1 9,-0.1 -0.960 96.1 -89.5-146.1 154.5 82.2 62.7 13.8 46 44 A P + 0 0 93 0, 0.0 7,-0.1 0, 0.0 -3,-0.0 -0.314 49.3 173.5 -73.0 63.6 85.5 61.0 12.8 47 45 A H > - 0 0 60 -2,-2.6 3,-2.0 1,-0.1 59,-0.0 -0.519 39.6-123.0 -63.9 136.5 84.6 57.4 13.3 48 46 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.727 107.5 58.1 -63.9 -26.2 87.6 55.4 12.0 49 47 A F T 3 S+ 0 0 75 64,-0.1 2,-0.4 65,-0.0 65,-0.4 0.593 90.3 96.5 -70.8 -14.6 85.6 53.4 9.4 50 48 A L < - 0 0 23 -3,-2.0 68,-0.1 1,-0.1 3,-0.1 -0.690 52.5-168.1 -92.8 129.7 84.3 56.6 7.7 51 49 A H S S+ 0 0 115 -2,-0.4 2,-0.3 64,-0.2 -1,-0.1 0.811 82.5 5.3 -68.4 -33.1 85.9 58.2 4.6 52 50 A R - 0 0 76 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.949 64.9-169.7-151.0 155.0 83.8 61.4 5.1 53 51 A Y - 0 0 71 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.3 -0.986 36.1 -91.3-152.3 158.8 81.4 62.9 7.7 54 52 A Y - 0 0 2 -11,-3.5 2,-0.8 -2,-0.3 3,-0.1 -0.595 31.9-161.8 -72.9 121.8 79.1 65.9 8.0 55 53 A Q > - 0 0 63 -2,-0.4 3,-2.2 1,-0.2 4,-0.2 -0.811 7.7-176.3-106.8 90.8 80.9 68.9 9.5 56 54 A R G > S+ 0 0 46 -2,-0.8 3,-1.9 1,-0.3 6,-0.3 0.794 78.5 68.2 -57.2 -30.9 78.0 71.2 10.7 57 55 A Q G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.699 95.8 55.9 -62.8 -19.4 80.5 73.8 11.7 58 56 A L G < S+ 0 0 99 -3,-2.2 2,-0.6 1,-0.1 -1,-0.3 0.437 92.3 89.6 -92.2 3.5 81.3 74.4 8.0 59 57 A S X - 0 0 13 -3,-1.9 3,-0.8 -4,-0.2 -36,-0.1 -0.884 50.6-170.1-117.3 116.3 77.7 75.1 7.0 60 58 A S T 3 S+ 0 0 107 -36,-2.1 -1,-0.1 -2,-0.6 -37,-0.0 0.745 92.2 52.8 -65.1 -23.3 76.1 78.5 7.1 61 59 A T T 3 S+ 0 0 33 -37,-0.3 -1,-0.2 25,-0.1 23,-0.1 0.527 79.7 118.6 -97.6 -4.7 72.7 77.0 6.5 62 60 A Y < - 0 0 54 -3,-0.8 2,-0.4 -6,-0.3 23,-0.2 -0.322 41.5-170.7 -62.9 138.4 72.7 74.5 9.4 63 61 A R E -H 84 0A 147 21,-2.2 21,-1.9 -2,-0.0 2,-0.2 -0.970 17.1-133.8-137.0 124.4 70.0 74.9 12.1 64 62 A D E -H 83 0A 83 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.450 11.0-167.3 -76.8 141.0 70.0 73.0 15.4 65 63 A L E - 0 0 84 17,-2.5 18,-0.2 2,-0.2 -1,-0.1 0.409 33.4-132.9-105.2 -4.8 66.7 71.5 16.4 66 64 A R E + 0 0 223 16,-0.6 2,-0.3 1,-0.2 17,-0.1 0.882 67.8 104.0 53.6 49.0 68.0 70.8 20.0 67 65 A K E - 0 0 113 15,-0.4 15,-3.2 2,-0.0 -2,-0.2 -0.972 56.4-143.8-149.7 148.0 66.8 67.3 20.3 68 66 A G E -H 81 0A 44 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.611 8.6-147.8-100.8 168.6 68.6 64.0 20.1 69 67 A V E -H 80 0A 6 11,-2.2 11,-2.3 -2,-0.2 2,-0.4 -0.990 3.3-161.0-135.9 143.3 67.5 60.6 18.6 70 68 A Y E -H 79 0A 122 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.970 7.9-172.0-130.3 118.3 68.4 57.1 19.8 71 69 A V E -H 78 0A 3 7,-2.9 7,-1.5 -2,-0.4 2,-0.1 -0.878 7.4-161.5-119.7 95.2 67.9 54.3 17.3 72 70 A P E +H 77 0A 82 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.408 13.5 169.9 -73.7 152.6 68.3 50.7 18.6 73 71 A Y E > -H 76 0A 108 3,-2.8 2,-0.8 -2,-0.1 3,-0.5 -0.668 57.3 -55.2-132.8-168.4 68.9 47.6 16.5 74 72 A T T 3 S- 0 0 142 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.730 122.0 -26.5 -77.0 109.3 69.8 44.0 17.5 75 73 A Q T 3 S+ 0 0 154 -2,-0.8 2,-0.3 1,-0.2 -1,-0.3 0.813 134.0 83.9 47.9 38.0 73.1 44.5 19.5 76 74 A G E < +H 73 0A 8 -3,-0.5 -3,-2.8 2,-0.0 2,-0.3 -0.962 48.4 151.8-157.0 164.2 73.5 47.7 17.4 77 75 A K E -HI 72 108A 25 31,-3.1 31,-3.5 -2,-0.3 2,-0.3 -0.975 26.5-137.5-178.8 165.5 72.5 51.3 17.2 78 76 A W E -HI 71 107A 5 -7,-1.5 -7,-2.9 -2,-0.3 2,-0.3 -0.953 15.9-167.8-135.4 165.4 73.1 54.9 16.2 79 77 A E E +HI 70 106A 57 27,-2.0 26,-2.2 -2,-0.3 27,-1.8 -0.991 17.1 152.9-153.3 139.8 72.5 58.1 18.1 80 78 A G E -HI 69 104A 3 -11,-2.3 -11,-2.2 -2,-0.3 2,-0.4 -0.930 39.8 -95.1-163.1-178.5 72.5 61.7 17.0 81 79 A E E -HI 68 103A 78 22,-2.2 22,-3.3 -2,-0.3 2,-0.2 -0.934 39.1-126.9-117.7 132.7 71.5 65.3 17.2 82 80 A L E + I 0 102A 6 -15,-3.2 -17,-2.5 -2,-0.4 -16,-0.6 -0.570 42.0 135.1 -87.1 143.4 68.7 66.7 15.1 83 81 A G E -HI 64 101A 2 18,-1.6 18,-2.3 -19,-0.3 2,-0.3 -0.876 40.8-118.7-158.5-176.2 69.0 69.7 12.8 84 82 A T E +HI 63 100A 20 -21,-1.9 -21,-2.2 16,-0.3 2,-0.3 -0.945 32.2 159.5-131.9 160.2 68.0 70.8 9.3 85 83 A D E - 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0 0 81 -2,-0.2 2,-0.3 -8,-0.1 -8,-0.2 -0.991 23.0-172.9-136.5 136.3 67.9 72.0 -3.2 97 95 A V E - I 0 87A 3 -10,-2.3 -10,-3.5 -2,-0.4 2,-0.7 -0.967 29.2-121.3-134.7 148.1 65.7 71.3 -0.2 98 96 A R E + I 0 86A 48 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.842 47.4 175.6 -86.8 115.3 65.8 72.0 3.6 99 97 A A E - I 0 85A 1 -14,-2.8 -14,-1.8 -2,-0.7 2,-0.2 -0.836 37.0-102.7-120.6 153.8 65.7 68.6 5.2 100 98 A N E - I 0 84A 27 36,-0.5 2,-0.4 -2,-0.3 -16,-0.3 -0.551 39.8-170.7 -62.9 137.2 65.9 67.1 8.6 101 99 A I E - I 0 83A 4 -18,-2.3 -18,-1.6 -2,-0.2 2,-0.8 -0.995 18.8-146.8-134.6 128.2 69.3 65.5 9.2 102 100 A A E -gI 41 82A 0 -62,-2.2 -60,-2.3 -2,-0.4 2,-0.9 -0.885 17.5-146.8 -89.2 108.2 70.3 63.4 12.2 103 101 A A E -gI 42 81A 2 -22,-3.3 -22,-2.2 -2,-0.8 2,-0.5 -0.718 18.1-137.5 -77.6 108.3 74.0 64.2 12.9 104 102 A I E +gI 43 80A 4 -62,-3.1 -60,-2.3 -2,-0.9 -59,-0.3 -0.624 34.9 165.8 -78.0 118.4 75.2 60.8 14.1 105 103 A T E + 0 0 55 -26,-2.2 2,-0.3 -2,-0.5 -25,-0.2 0.525 66.6 20.2-110.7 -15.5 77.5 61.3 17.1 106 104 A E E + I 0 79A 115 -27,-1.8 -27,-2.0 2,-0.0 -1,-0.3 -0.965 67.5 168.0-156.6 139.2 77.7 57.7 18.4 107 105 A S E - 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