==== 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 2OHL . 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) . 16705.0 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 . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 29.4 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 . 2 0.5 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 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 7.4 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 1 2 1 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 . 2 3 4 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 . 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 98 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -4.3 66.2 61.2 -16.6 2 0 A V G > + 0 0 114 1,-0.3 3,-0.8 2,-0.2 171,-0.0 0.730 360.0 71.5 -65.2 -19.0 69.3 59.8 -18.2 3 1 A E G 3 S+ 0 0 116 1,-0.2 -1,-0.3 3,-0.0 0, 0.0 0.778 100.5 46.2 -65.1 -25.6 71.3 62.2 -15.9 4 2 A M G X S+ 0 0 4 -3,-1.7 3,-1.3 165,-0.1 163,-0.6 0.502 85.6 115.4 -92.4 -4.4 70.2 60.0 -13.0 5 3 A V T < S+ 0 0 54 -3,-0.8 161,-0.1 -4,-0.4 -3,-0.0 -0.423 85.2 9.8 -68.3 138.0 71.1 56.6 -14.7 6 4 A D T 3 S+ 0 0 105 149,-0.1 -1,-0.3 -2,-0.1 160,-0.2 0.760 84.9 133.5 65.1 28.3 73.9 54.7 -12.9 7 5 A N < + 0 0 15 -3,-1.3 12,-0.6 84,-0.1 2,-0.4 0.355 50.8 80.2 -90.5 5.6 73.9 57.1 -9.9 8 6 A L E +AB 18 165A 0 157,-2.4 157,-1.8 10,-0.1 2,-0.2 -0.951 54.3 169.9-113.0 137.8 74.0 54.2 -7.3 9 7 A R E +AB 17 164A 156 8,-2.3 8,-2.5 -2,-0.4 2,-0.3 -0.726 8.9 131.1-129.4 178.1 77.2 52.3 -6.4 10 8 A G E -AB 16 163A 0 153,-1.0 153,-1.9 -2,-0.2 2,-0.4 -0.990 45.1 -91.4 169.0-170.4 78.1 49.8 -3.7 11 9 A K E > - B 0 162A 70 4,-0.8 3,-2.2 -2,-0.3 151,-0.2 -0.990 55.4 -82.1-134.5 143.7 79.8 46.5 -2.7 12 10 A S T 3 S+ 0 0 35 149,-1.8 291,-0.1 -2,-0.4 213,-0.0 -0.130 115.5 4.8 -40.5 127.2 78.1 43.1 -2.4 13 11 A G T 3 S+ 0 0 37 1,-0.1 -1,-0.3 212,-0.1 212,-0.1 0.041 112.0 87.4 81.8 -23.4 76.3 42.8 1.0 14 12 A Q S < S- 0 0 39 -3,-2.2 -2,-0.1 1,-0.2 -1,-0.1 -0.017 92.6-120.7 -97.3 26.3 77.1 46.4 2.0 15 13 A G - 0 0 17 -5,-0.1 -4,-0.8 17,-0.1 2,-0.4 0.269 31.5 -67.2 59.6 177.0 74.0 48.0 0.4 16 14 A Y E -A 10 0A 10 206,-0.4 17,-2.9 17,-0.4 2,-0.3 -0.890 45.9-166.9-107.6 136.1 73.6 50.7 -2.4 17 15 A Y E -AC 9 32A 19 -8,-2.5 -8,-2.3 -2,-0.4 2,-0.3 -0.878 9.1-155.5-123.7 151.9 74.5 54.3 -1.9 18 16 A V E -AC 8 31A 2 13,-2.4 13,-2.6 -2,-0.3 2,-0.4 -0.885 30.4-106.8-120.4 149.0 73.9 57.6 -3.8 19 17 A E E + C 0 30A 62 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.631 45.0 171.9 -79.4 131.9 76.0 60.8 -3.8 20 18 A M E - C 0 29A 0 9,-3.0 9,-2.9 -2,-0.4 2,-0.4 -0.882 22.9-141.0-131.9 165.3 74.5 63.7 -1.8 21 19 A T E -DC 88 28A 19 67,-2.6 67,-1.9 -2,-0.3 2,-0.4 -0.989 13.4-166.5-127.2 142.7 75.6 67.1 -0.6 22 20 A V E > -DC 87 27A 0 5,-2.2 5,-2.7 -2,-0.4 65,-0.2 -0.959 45.9 -4.9-126.6 143.2 74.8 68.8 2.6 23 21 A G T 5S- 0 0 5 63,-2.3 4,-0.2 -2,-0.4 36,-0.1 0.289 90.5 -41.3 70.1 170.3 75.2 72.4 3.8 24 22 A S T 5S+ 0 0 29 2,-0.1 36,-2.3 -3,-0.0 37,-0.4 -0.968 131.2 31.6-120.7 121.1 76.7 75.6 2.2 25 23 A P T 5S- 0 0 94 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 0.621 117.7-104.2 -65.7 158.9 79.2 75.2 0.7 26 24 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.332 29.1-158.3 -61.2 124.7 78.2 71.6 -0.3 27 25 A Q E < -C 22 0A 26 -5,-2.7 -5,-2.2 -4,-0.2 2,-0.4 -0.935 20.1-134.4 -97.7 121.0 79.9 68.8 1.6 28 26 A T E +C 21 0A 66 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.641 31.6 168.8 -77.3 130.5 79.8 65.6 -0.5 29 27 A L E -C 20 0A 2 -9,-2.9 -9,-3.0 -2,-0.4 2,-0.6 -0.951 34.4-126.2-132.7 157.3 78.8 62.4 1.2 30 28 A N E -C 19 0A 18 -2,-0.3 88,-3.1 -11,-0.2 89,-0.7 -0.950 32.6-167.1-101.7 126.8 77.8 58.9 0.1 31 29 A I E -Ce 18 119A 0 -13,-2.6 -13,-2.4 -2,-0.6 89,-0.2 -0.954 20.5-122.4-125.9 120.5 74.5 57.9 1.6 32 30 A L E -Ce 17 120A 17 87,-2.5 89,-3.2 -2,-0.5 2,-0.6 -0.336 24.8-129.3 -58.7 133.3 72.9 54.5 1.6 33 31 A V E + e 0 121A 1 -17,-2.9 2,-0.5 87,-0.2 -17,-0.4 -0.807 33.4 177.8 -88.3 115.9 69.5 54.4 -0.0 34 32 A D E > + e 0 122A 16 87,-2.3 89,-2.1 -2,-0.6 3,-1.1 -0.823 25.7 176.6-134.7 97.2 67.1 52.7 2.4 35 33 A T T 3 S+ 0 0 0 -2,-0.5 157,-0.5 1,-0.2 185,-0.2 0.400 80.9 71.2 -76.4 0.8 63.4 52.2 1.7 36 34 A G T 3 S+ 0 0 17 155,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.267 102.2 35.1 -98.4 10.7 63.1 50.3 5.1 37 35 A S < - 0 0 27 -3,-1.1 87,-2.5 84,-0.2 86,-0.2 -0.921 64.2-141.5-153.6 175.3 63.6 53.4 7.3 38 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.2 0.330 61.7 97.5-136.3 13.9 62.7 57.1 7.4 39 37 A N - 0 0 10 98,-0.1 83,-0.9 89,-0.1 2,-0.8 -0.886 59.6-141.6-109.8 132.6 65.5 59.2 8.8 40 38 A F E +F 121 0A 8 -2,-0.4 62,-2.3 81,-0.2 2,-0.4 -0.855 39.8 168.9 -84.0 110.4 68.2 61.1 7.0 41 39 A A E +Fg 120 102A 0 79,-2.2 79,-3.0 -2,-0.8 2,-0.3 -0.997 10.2 178.1-135.6 132.6 71.2 60.3 9.3 42 40 A V E -Fg 119 103A 0 60,-2.5 62,-2.9 -2,-0.4 77,-0.3 -0.980 37.8 -96.5-141.3 145.8 74.9 61.0 8.6 43 41 A G E + g 0 104A 1 75,-3.0 11,-3.2 -2,-0.3 62,-0.1 -0.413 36.7 174.3 -61.0 127.3 78.2 60.6 10.4 44 42 A A + 0 0 14 60,-2.4 12,-0.2 9,-0.2 -1,-0.1 0.244 59.6 59.3-118.8 10.8 79.1 63.9 12.0 45 43 A A S S- 0 0 34 59,-0.4 2,-2.4 7,-0.1 5,-0.1 -0.948 94.2 -95.9-143.4 154.4 82.2 62.8 13.8 46 44 A P + 0 0 91 0, 0.0 7,-0.1 0, 0.0 59,-0.0 -0.389 45.6 173.2 -79.6 69.8 85.6 61.2 12.8 47 45 A H > - 0 0 64 -2,-2.4 3,-1.9 1,-0.1 5,-0.0 -0.578 39.7-123.2 -70.1 136.1 84.9 57.5 13.3 48 46 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.787 107.7 56.2 -62.3 -30.1 88.0 55.8 11.9 49 47 A F T 3 S+ 0 0 82 64,-0.0 65,-0.4 62,-0.0 2,-0.3 0.639 89.6 94.2 -70.1 -16.7 86.0 53.6 9.5 50 48 A L < - 0 0 20 -3,-1.9 3,-0.1 1,-0.1 68,-0.1 -0.605 59.5-158.1 -81.9 142.0 84.4 56.7 7.8 51 49 A H S S- 0 0 109 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.702 78.8 -7.5 -81.3 -29.3 86.0 58.3 4.7 52 50 A R - 0 0 75 -22,-0.1 2,-0.3 -7,-0.1 -1,-0.2 -0.964 65.6-163.0-160.4 166.8 84.2 61.6 5.3 53 51 A Y - 0 0 72 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.989 34.4 -81.6-156.4 161.9 81.6 63.2 7.6 54 52 A Y - 0 0 2 -11,-3.2 2,-0.7 -2,-0.3 3,-0.1 -0.534 35.3-168.0 -69.4 119.0 79.3 66.2 8.1 55 53 A Q > - 0 0 64 -2,-0.4 3,-1.4 1,-0.2 -10,-0.1 -0.880 5.4-177.2-111.3 96.1 81.2 69.1 9.6 56 54 A R G > S+ 0 0 43 -2,-0.7 3,-3.7 1,-0.3 6,-0.2 0.926 77.5 69.0 -60.7 -47.5 78.4 71.5 10.7 57 55 A Q G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.720 98.0 55.9 -41.8 -24.0 80.9 74.2 11.8 58 56 A L G < S+ 0 0 97 -3,-1.4 2,-0.6 1,-0.1 -1,-0.3 0.451 92.3 87.3 -89.3 2.3 81.6 74.6 8.0 59 57 A S X - 0 0 13 -3,-3.7 3,-1.0 1,-0.1 -36,-0.1 -0.900 49.9-171.2-121.6 115.8 78.0 75.3 7.0 60 58 A S T 3 S+ 0 0 103 -36,-2.3 -1,-0.1 -2,-0.6 -4,-0.0 0.727 91.7 52.8 -73.2 -22.7 76.4 78.7 6.9 61 59 A T T 3 S+ 0 0 32 -37,-0.4 -1,-0.2 25,-0.1 -38,-0.1 0.483 82.5 120.1 -93.1 -0.2 73.0 77.3 6.3 62 60 A Y < - 0 0 51 -3,-1.0 2,-0.4 -6,-0.2 23,-0.2 -0.332 39.3-173.5 -65.4 140.7 73.1 74.8 9.3 63 61 A R E -H 84 0A 144 21,-2.5 21,-2.4 -2,-0.0 2,-0.3 -0.975 18.0-134.8-139.0 134.2 70.4 75.1 12.0 64 62 A D E -H 83 0A 83 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.576 6.9-163.7 -85.6 135.0 70.2 73.2 15.3 65 63 A L E - 0 0 81 17,-2.1 18,-0.2 -2,-0.3 -1,-0.1 0.391 35.7-131.2 -96.7 -1.4 66.8 71.8 16.4 66 64 A R E S+ 0 0 228 16,-0.4 2,-0.3 1,-0.2 17,-0.1 0.899 70.1 101.8 58.5 48.6 68.1 71.4 19.9 67 65 A K E - 0 0 103 15,-0.5 15,-2.8 2,-0.0 -2,-0.2 -0.955 58.4-138.8-162.5 139.2 67.0 67.8 20.3 68 66 A G E -H 81 0A 46 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.512 6.4-149.3 -98.0 167.3 68.6 64.4 20.1 69 67 A V E -H 80 0A 7 11,-2.8 11,-2.7 -2,-0.2 2,-0.4 -0.988 3.6-165.2-131.8 143.1 67.7 61.0 18.6 70 68 A Y E -H 79 0A 123 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.989 8.4-173.2-125.8 120.1 68.6 57.6 19.9 71 69 A V E -H 78 0A 7 7,-3.0 7,-1.6 -2,-0.4 2,-0.2 -0.827 3.7-177.2-119.1 94.6 68.0 54.7 17.4 72 70 A P E +H 77 0A 80 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.616 7.9 165.7 -87.3 152.0 68.5 51.2 18.6 73 71 A Y E > -H 76 0A 85 3,-2.3 3,-1.1 -2,-0.2 -2,-0.0 -0.892 51.9 -47.2-152.5 173.2 68.1 48.1 16.4 74 72 A T T 3 S- 0 0 144 1,-0.3 3,-0.0 -2,-0.3 0, 0.0 -0.248 123.4 -14.4 -60.8 135.4 69.1 44.4 16.7 75 73 A Q T 3 S+ 0 0 137 1,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.886 131.6 48.2 20.3 73.7 72.7 44.2 17.8 76 74 A G E < -H 73 0A 10 -3,-1.1 -3,-2.3 2,-0.0 2,-0.3 -0.881 54.7-165.4 163.5 171.6 73.4 47.9 17.2 77 75 A K E -HI 72 108A 28 31,-2.6 31,-3.2 -2,-0.2 2,-0.3 -0.960 8.7-155.4-168.7 156.7 72.5 51.5 17.5 78 76 A W E -HI 71 107A 12 -7,-1.6 -7,-3.0 -2,-0.3 2,-0.3 -0.939 16.4-172.5-132.6 163.4 73.2 55.0 16.2 79 77 A E E +HI 70 106A 52 27,-1.9 26,-1.9 -2,-0.3 27,-1.6 -0.991 14.5 139.6-158.5 139.5 72.6 58.2 18.1 80 78 A G E -HI 69 104A 5 -11,-2.7 -11,-2.8 -2,-0.3 2,-0.4 -0.943 43.7 -76.9-170.0-169.7 72.7 61.9 17.2 81 79 A E E -HI 68 103A 78 22,-1.8 22,-3.2 -2,-0.3 2,-0.3 -0.922 39.7-133.2-118.4 126.6 71.7 65.5 17.2 82 80 A L E + I 0 102A 2 -15,-2.8 -17,-2.1 -2,-0.4 -15,-0.5 -0.585 40.1 135.0 -87.1 138.2 68.9 66.8 15.0 83 81 A G E -HI 64 101A 1 18,-1.8 18,-2.3 -2,-0.3 2,-0.3 -0.845 41.3-118.3-150.6-169.1 69.1 69.9 12.8 84 82 A T E +HI 63 100A 21 -21,-2.4 -21,-2.5 16,-0.3 2,-0.3 -0.968 33.4 153.9-135.9 159.1 68.2 71.0 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 -0.941 22.4-173.5-140.8 125.7 68.1 72.1 -3.2 97 95 A V E - I 0 87A 2 -10,-2.2 -10,-2.8 -2,-0.3 2,-0.6 -0.802 28.3-121.1-119.3 158.2 65.8 71.5 -0.3 98 96 A R E + I 0 86A 49 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.920 47.5 169.6 -96.2 118.5 66.0 72.2 3.4 99 97 A A E - I 0 85A 1 -14,-2.2 -14,-1.5 -2,-0.6 2,-0.2 -0.837 40.0 -94.4-128.1 159.4 65.7 68.8 5.2 100 98 A N E - I 0 84A 27 36,-0.6 2,-0.4 -2,-0.3 -16,-0.3 -0.552 39.5-169.4 -67.8 135.6 66.1 67.3 8.6 101 99 A I E - I 0 83A 3 -18,-2.3 -18,-1.8 -2,-0.2 2,-0.7 -0.992 14.5-150.6-129.1 125.9 69.6 65.8 9.2 102 100 A A E -gI 41 82A 1 -62,-2.3 -60,-2.5 -2,-0.4 2,-1.0 -0.871 15.8-146.2 -90.3 115.3 70.5 63.6 12.2 103 101 A A E -gI 42 81A 1 -22,-3.2 -22,-1.8 -2,-0.7 2,-0.5 -0.753 15.0-139.0 -85.2 103.1 74.2 64.3 12.9 104 102 A I E +gI 43 80A 4 -62,-2.9 -60,-2.4 -2,-1.0 -59,-0.4 -0.467 33.6 165.6 -67.4 113.9 75.4 60.9 14.2 105 103 A T E + 0 0 54 -26,-1.9 2,-0.3 -2,-0.5 -25,-0.2 0.495 68.2 20.5-106.9 -8.6 77.7 61.5 17.1 106 104 A E E + I 0 79A 107 -27,-1.6 -27,-1.9 -61,-0.0 -1,-0.3 -0.941 66.9 163.4-162.0 136.0 77.8 57.9 18.4 107 105 A S E - 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