==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JUL-12 4B1C . COMPND 2 MOLECULE: BETA-SECRETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.RAHM,J.BLID,T.GINMAN,S.KARLSTROM,J.KIHLSTROM,K.KOLMODIN, . 375 3 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16580.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 68.3 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 . 113 30.1 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 . 4 1.1 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 . 44 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 7.5 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 4 2 3 3 4 1 0 0 0 0 1 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 1 497 A K > 0 0 181 0, 0.0 3,-2.2 0, 0.0 6,-0.4 0.000 360.0 360.0 360.0 20.9 -25.1 -6.2 -30.3 2 498 A K T 3 + 0 0 158 1,-0.3 96,-0.3 4,-0.1 3,-0.1 -0.367 360.0 11.3 -59.4 123.1 -21.8 -4.9 -31.7 3 499 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.3 93,-0.2 95,-0.1 0.435 91.9 133.3 87.1 -2.5 -20.4 -2.1 -29.6 4 500 A S S X> S- 0 0 38 -3,-2.2 4,-1.0 1,-0.1 3,-0.9 -0.456 72.0-113.0 -69.6 154.9 -22.8 -2.6 -26.7 5 501 A F H >> S+ 0 0 72 1,-0.3 4,-1.7 2,-0.2 3,-1.2 0.916 119.0 62.3 -56.8 -39.1 -21.1 -2.6 -23.3 6 502 A V H 34 S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.855 103.4 48.6 -53.2 -36.8 -22.0 -6.3 -23.1 7 1 A E H <4 S+ 0 0 78 -3,-0.9 -1,-0.3 -6,-0.4 -2,-0.2 0.696 108.6 53.8 -78.4 -21.3 -19.9 -7.0 -26.1 8 2 A M H X< S+ 0 0 4 -3,-1.2 3,-1.3 -4,-1.0 159,-0.5 0.703 83.7 108.2 -85.6 -23.6 -16.9 -5.0 -24.6 9 3 A V T 3< S+ 0 0 38 -4,-1.7 157,-0.1 1,-0.3 -3,-0.0 -0.265 86.7 11.9 -53.6 137.7 -16.9 -7.0 -21.4 10 4 A D T 3 S+ 0 0 121 149,-0.1 -1,-0.3 1,-0.1 156,-0.2 0.747 83.9 134.8 67.3 25.4 -13.9 -9.3 -21.1 11 5 A N < + 0 0 17 -3,-1.3 12,-0.6 84,-0.1 2,-0.3 0.391 50.0 79.3 -87.2 5.0 -12.1 -7.8 -24.0 12 6 A L E -AB 22 165A 3 153,-2.3 153,-1.1 10,-0.1 2,-0.3 -0.841 54.2-176.3-112.7 148.1 -8.7 -7.6 -22.3 13 7 A R E +A 21 0A 159 8,-2.5 8,-2.4 -2,-0.3 2,-0.2 -0.792 39.2 58.7-127.4 178.8 -6.2 -10.3 -21.7 14 8 A G E -A 20 0A 31 -2,-0.3 2,-0.3 6,-0.2 6,-0.3 -0.539 66.5 -98.1 102.7-168.2 -2.9 -10.4 -19.9 15 9 A K E >> -A 19 0A 86 4,-1.2 4,-2.4 -2,-0.2 3,-0.8 -0.941 33.3 -94.4-152.5 170.9 -1.8 -9.8 -16.3 16 10 A S T 34 S+ 0 0 10 -2,-0.3 312,-0.2 1,-0.2 313,-0.1 0.799 116.9 58.9 -60.6 -32.1 -0.2 -7.1 -14.1 17 11 A G T 34 S+ 0 0 18 1,-0.2 -1,-0.2 284,-0.1 208,-0.1 0.823 123.7 15.0 -71.0 -33.2 3.2 -8.4 -14.6 18 12 A Q T <4 S- 0 0 77 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.425 117.8 -89.5-124.0 -4.6 3.4 -8.1 -18.4 19 13 A G E < -A 15 0A 9 -4,-2.4 -4,-1.2 17,-0.1 2,-0.4 -0.053 28.0 -99.7 110.1 149.0 0.5 -5.8 -19.2 20 14 A Y E -A 14 0A 3 202,-0.3 17,-2.6 17,-0.3 2,-0.3 -0.865 44.1-171.8-101.4 140.4 -3.1 -6.0 -20.1 21 15 A Y E -AC 13 36A 11 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.3 -0.955 17.7-151.6-143.5 152.8 -4.0 -5.7 -23.7 22 16 A V E -AC 12 35A 0 13,-2.1 13,-2.1 -2,-0.3 2,-0.2 -0.913 31.1-106.3-121.2 144.1 -6.9 -5.4 -26.1 23 17 A E E + C 0 34A 65 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.502 44.6 170.2 -69.6 135.7 -7.2 -6.5 -29.7 24 18 A M E - C 0 33A 0 9,-2.8 9,-2.9 -2,-0.2 2,-0.4 -0.955 23.6-140.9-138.2 160.7 -7.1 -3.8 -32.3 25 19 A T E -DC 92 32A 15 67,-2.5 67,-1.7 -2,-0.3 2,-0.4 -0.978 14.2-173.3-121.0 144.1 -6.8 -3.6 -36.1 26 20 A V E > +DC 91 31A 0 5,-1.8 5,-1.8 -2,-0.4 65,-0.2 -0.993 48.3 7.8-128.6 142.4 -4.8 -1.1 -38.2 27 21 A G T 5S- 0 0 4 63,-2.2 4,-0.1 -2,-0.4 36,-0.1 -0.113 88.1 -48.0 89.5 174.9 -4.8 -0.6 -41.9 28 22 A S T 5S+ 0 0 27 2,-0.2 36,-1.9 1,-0.1 37,-0.3 -0.992 129.1 30.3-139.5 125.3 -6.9 -2.0 -44.8 29 23 A P T 5S- 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.693 121.1-102.4 -60.6 164.4 -7.4 -4.7 -45.1 30 24 A P T 5 - 0 0 87 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.270 28.3-153.4 -64.2 135.2 -7.3 -4.9 -41.2 31 25 A Q E < -C 26 0A 25 -5,-1.8 -5,-1.8 -4,-0.1 2,-0.4 -0.948 18.3-134.1-107.9 125.9 -4.2 -6.2 -39.6 32 26 A T E +C 25 0A 55 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.675 33.0 167.3 -86.8 128.8 -5.0 -7.7 -36.2 33 27 A L E -C 24 0A 2 -9,-2.9 -9,-2.8 -2,-0.4 2,-0.4 -0.989 34.7-127.3-136.8 148.6 -2.6 -6.7 -33.3 34 28 A N E -C 23 0A 16 -2,-0.3 88,-3.1 -11,-0.2 89,-0.7 -0.828 33.2-165.2 -92.9 136.8 -2.7 -7.0 -29.5 35 29 A I E -Ce 22 123A 0 -13,-2.1 -13,-2.1 -2,-0.4 89,-0.3 -0.981 21.6-115.8-134.2 128.0 -2.0 -3.6 -27.9 36 30 A L E -Ce 21 124A 13 87,-3.4 89,-3.4 -2,-0.4 2,-0.9 -0.355 25.1-132.9 -59.1 127.5 -1.1 -2.7 -24.4 37 31 A V E + e 0 125A 2 -17,-2.6 2,-0.5 87,-0.2 -17,-0.3 -0.754 35.9 177.3 -84.4 109.9 -3.7 -0.6 -22.7 38 32 A D E > + e 0 126A 16 87,-2.1 89,-2.9 -2,-0.9 3,-0.9 -0.879 28.0 175.3-127.8 97.4 -1.6 2.2 -21.2 39 33 A T T 3 S+ 0 0 0 -2,-0.5 153,-0.5 1,-0.2 181,-0.2 0.409 80.1 70.7 -76.1 4.0 -3.1 5.2 -19.3 40 34 A G T 3 S+ 0 0 14 151,-0.1 2,-0.3 88,-0.1 -1,-0.2 0.165 101.1 38.7-106.9 17.6 0.5 6.4 -18.5 41 35 A S < - 0 0 19 -3,-0.9 87,-3.2 84,-0.1 92,-0.1 -0.953 61.7-145.4-156.3 173.5 1.4 7.5 -22.1 42 36 A S + 0 0 1 90,-0.4 2,-0.4 -2,-0.3 100,-0.3 0.318 62.5 97.2-133.6 5.7 -0.2 9.2 -25.0 43 37 A N - 0 0 13 89,-0.1 83,-1.6 98,-0.1 2,-0.9 -0.821 60.9-142.0 -99.1 137.6 1.2 7.6 -28.3 44 38 A F E +F 125 0A 8 -2,-0.4 62,-2.5 81,-0.2 2,-0.4 -0.885 40.1 171.7 -88.5 106.6 -0.4 4.9 -30.3 45 39 A A E -Fg 124 106A 3 79,-2.2 79,-2.9 -2,-0.9 2,-0.4 -0.986 11.0-175.4-130.7 127.2 2.8 3.1 -31.2 46 40 A V E -Fg 123 107A 0 60,-2.5 62,-2.9 -2,-0.4 77,-0.3 -0.956 35.4-103.1-132.4 137.3 3.1 -0.3 -32.9 47 41 A G E + g 0 108A 0 75,-3.1 11,-3.2 -2,-0.4 62,-0.1 -0.382 38.6 175.5 -52.2 126.0 5.8 -2.7 -33.8 48 42 A A + 0 0 12 60,-2.5 12,-0.2 9,-0.2 -1,-0.2 0.060 58.7 43.2-123.8 22.9 6.3 -2.2 -37.6 49 43 A A S S- 0 0 27 59,-0.2 9,-0.1 7,-0.1 -1,-0.1 -0.976 96.2 -75.9-162.9 154.7 9.2 -4.5 -38.1 50 44 A P + 0 0 97 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.132 50.1 170.7 -53.9 147.1 10.4 -8.0 -37.1 51 45 A H > - 0 0 51 3,-0.4 3,-2.0 1,-0.1 59,-0.0 -0.950 44.5-112.8-160.9 144.3 11.8 -8.4 -33.6 52 46 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.793 117.7 41.5 -46.5 -39.0 12.7 -11.4 -31.5 53 47 A F T 3 S+ 0 0 78 64,-0.1 2,-0.5 -3,-0.1 65,-0.4 0.510 95.8 95.4 -91.8 -6.6 9.9 -10.9 -29.0 54 48 A L < - 0 0 21 -3,-2.0 -3,-0.4 1,-0.1 3,-0.1 -0.774 47.4-171.7 -95.6 126.0 7.2 -10.0 -31.6 55 49 A H S S- 0 0 138 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.747 80.1 -4.5 -80.8 -28.5 4.8 -12.7 -32.9 56 50 A R - 0 0 89 -7,-0.1 2,-0.3 65,-0.0 -1,-0.2 -0.936 68.5-165.1-152.6 174.2 3.4 -10.3 -35.5 57 51 A Y - 0 0 69 -2,-0.3 2,-0.4 -9,-0.1 -9,-0.2 -0.987 34.1 -79.7-161.4 167.0 3.8 -6.6 -36.5 58 52 A Y - 0 0 1 -11,-3.2 2,-0.7 -2,-0.3 -31,-0.1 -0.600 34.4-164.1 -78.8 123.8 2.3 -3.8 -38.6 59 53 A Q > - 0 0 60 -2,-0.4 3,-1.0 1,-0.1 4,-0.2 -0.889 5.0-174.5-111.8 100.0 3.2 -3.9 -42.3 60 54 A R G > S+ 0 0 64 -2,-0.7 3,-1.2 1,-0.3 6,-0.3 0.749 78.6 63.9 -71.9 -26.1 2.4 -0.5 -43.8 61 55 A Q G 3 S+ 0 0 144 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.807 100.2 54.4 -67.6 -29.0 3.1 -1.5 -47.3 62 56 A L G < S+ 0 0 95 -3,-1.0 2,-0.6 1,-0.1 -1,-0.3 0.465 94.5 82.1 -82.5 -5.7 0.1 -3.9 -47.1 63 57 A S X - 0 0 7 -3,-1.2 3,-0.6 -4,-0.2 -36,-0.1 -0.914 56.9-171.2-106.9 118.7 -2.2 -1.1 -46.0 64 58 A S T 3 S+ 0 0 107 -36,-1.9 -1,-0.1 -2,-0.6 -3,-0.1 0.482 86.0 56.3 -88.6 -3.2 -3.5 1.0 -48.8 65 59 A T T 3 S+ 0 0 38 -37,-0.3 -1,-0.2 -36,-0.1 23,-0.1 0.501 80.4 118.6-103.1 -5.2 -5.1 3.5 -46.4 66 60 A Y < - 0 0 43 -3,-0.6 2,-0.4 -6,-0.3 23,-0.2 -0.280 46.3-163.7 -55.4 138.8 -1.7 4.2 -44.7 67 61 A R E -H 88 0A 149 21,-2.7 21,-2.5 0, 0.0 2,-0.2 -0.977 12.1-138.6-131.1 121.7 -0.4 7.8 -45.0 68 62 A D E -H 87 0A 65 -2,-0.4 19,-0.3 19,-0.2 18,-0.0 -0.525 6.8-162.4 -73.1 139.1 3.2 8.7 -44.2 69 63 A L E - 0 0 58 17,-2.5 18,-0.2 -2,-0.2 -1,-0.1 0.404 31.6-128.7-102.1 -0.1 3.6 12.0 -42.2 70 64 A R E + 0 0 213 16,-0.4 2,-0.3 1,-0.2 17,-0.1 0.926 69.6 117.1 52.4 49.5 7.3 12.4 -43.1 71 65 A K E - 0 0 105 15,-0.5 15,-2.7 2,-0.0 -2,-0.2 -0.977 54.1-142.8-148.8 131.6 8.3 12.8 -39.5 72 66 A G E -H 85 0A 44 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.507 9.1-157.2 -89.7 161.0 10.5 10.7 -37.3 73 67 A V E -H 84 0A 6 11,-2.3 11,-3.3 -2,-0.2 2,-0.5 -0.982 7.3-173.9-141.6 127.7 10.0 10.0 -33.6 74 68 A Y E -H 83 0A 119 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.979 7.1-178.0-124.0 117.6 12.7 9.0 -31.1 75 69 A V E -H 82 0A 0 7,-3.1 7,-2.4 -2,-0.5 2,-0.4 -0.900 1.1-177.3-125.4 102.0 11.5 8.0 -27.6 76 70 A P E -H 81 0A 58 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.780 5.0-173.7 -95.9 142.1 14.0 7.0 -24.9 77 71 A Y - 0 0 102 3,-2.2 3,-0.2 -2,-0.4 -2,-0.0 -0.706 44.5 -99.3-118.3 176.0 13.0 5.9 -21.4 78 72 A T S S+ 0 0 151 1,-0.3 2,-0.7 -2,-0.2 -1,-0.1 0.965 122.9 41.3 -57.0 -49.7 14.9 5.1 -18.3 79 73 A Q S S- 0 0 162 1,-0.1 -1,-0.3 -3,-0.1 33,-0.1 -0.885 127.9 -42.7-101.5 107.8 14.5 1.5 -19.3 80 74 A G - 0 0 8 -2,-0.7 -3,-2.2 -3,-0.2 2,-0.3 0.227 61.5-129.9 65.0 175.2 15.0 1.0 -23.1 81 75 A K E -HI 76 112A 55 31,-2.0 31,-3.3 -5,-0.2 2,-0.3 -0.938 6.5-144.8-155.4 166.8 13.8 3.0 -26.1 82 76 A W E -HI 75 111A 3 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.4 -0.986 4.7-161.9-142.4 158.3 12.2 3.0 -29.4 83 77 A E E +HI 74 110A 86 27,-3.1 26,-2.0 -2,-0.3 27,-2.0 -0.986 26.8 140.1-135.6 140.6 12.5 4.9 -32.7 84 78 A G E -HI 73 108A 7 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.4 -0.918 42.6 -89.9-162.3-166.4 10.0 5.1 -35.5 85 79 A E E -HI 72 107A 46 22,-2.0 22,-3.1 -2,-0.3 2,-0.3 -0.956 32.3-131.2-125.0 137.5 8.0 6.9 -38.2 86 80 A L E + I 0 106A 6 -15,-2.7 -17,-2.5 -2,-0.4 -15,-0.5 -0.643 40.6 134.1 -90.3 143.8 4.8 8.8 -37.9 87 81 A G E -HI 68 105A 0 18,-1.9 18,-2.7 -2,-0.3 2,-0.3 -0.925 42.6-112.9-162.0-176.5 1.8 8.3 -40.2 88 82 A T E +HI 67 104A 21 -21,-2.5 -21,-2.7 -2,-0.3 2,-0.3 -0.884 33.8 157.1-127.1 161.8 -2.0 7.8 -40.0 89 83 A D E - 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