==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 09-DEC-95 2ASI . COMPND 2 MOLECULE: ASPARTIC PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOMUCOR MIEHEI; . AUTHOR J.YANG,Z.JIA,M.VANDONSELAAR,P.S.A.KEPLIAKOV,J.W.QUAIL . 356 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 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 . 2 0.6 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 . 49 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 5 1 3 3 1 4 2 0 0 1 0 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 0 0 1 0 0 0 0 0 0 0 1 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 5 A G 0 0 66 0, 0.0 160,-2.6 0, 0.0 161,-0.4 0.000 360.0 360.0 360.0-147.6 -26.4 34.4 80.4 2 6 A S - 0 0 63 158,-0.2 2,-0.5 159,-0.1 179,-0.2 -0.920 360.0-132.3-133.7 153.9 -25.7 32.0 77.5 3 7 A V E -A 180 0A 5 177,-2.2 177,-3.2 -2,-0.3 2,-0.4 -0.937 24.3-164.3-107.3 126.7 -23.8 28.8 77.1 4 8 A D E +A 179 0A 71 -2,-0.5 175,-0.2 91,-0.3 173,-0.0 -0.888 11.7 171.4-113.4 142.8 -21.4 28.6 74.1 5 9 A T E -A 178 0A 8 173,-2.3 173,-2.6 -2,-0.4 2,-0.1 -0.992 36.5-104.2-147.1 148.4 -19.9 25.5 72.7 6 10 A P E -A 177 0A 51 0, 0.0 2,-0.5 0, 0.0 171,-0.3 -0.513 29.5-150.7 -71.5 146.5 -17.8 24.7 69.5 7 11 A G E -A 176 0A 0 169,-1.6 169,-3.6 161,-0.2 2,-0.5 -0.982 10.7-152.6-118.7 127.7 -19.8 22.9 66.8 8 12 A Y E -AB 175 17A 76 9,-2.7 9,-2.7 -2,-0.5 2,-0.6 -0.889 8.1-139.4-108.5 131.1 -17.7 20.6 64.6 9 13 A Y E - B 0 16A 13 165,-2.1 2,-1.2 -2,-0.5 7,-0.2 -0.761 10.5-150.4 -88.5 116.3 -18.6 19.7 61.0 10 14 A D E >>> - B 0 15A 1 5,-3.4 4,-2.8 -2,-0.6 3,-1.3 -0.758 12.1-171.0 -85.2 91.6 -17.8 16.0 60.3 11 15 A F T 345S+ 0 0 107 -2,-1.2 -1,-0.2 1,-0.3 5,-0.1 0.762 79.3 62.3 -57.3 -27.7 -17.0 16.3 56.6 12 16 A D T 345S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.789 121.3 19.5 -70.5 -32.2 -17.0 12.5 56.3 13 17 A L T <45S- 0 0 37 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.540 100.3-126.3-109.1 -12.9 -20.6 12.1 57.3 14 18 A E T <5 + 0 0 49 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.972 67.9 129.5 60.3 53.0 -21.7 15.7 56.5 15 19 A E E < -B 10 0A 13 -5,-1.2 -5,-3.4 313,-0.1 2,-0.3 -0.956 56.4-128.1-135.2 149.2 -23.1 15.9 60.1 16 20 A Y E -B 9 0A 0 218,-0.5 17,-2.3 -2,-0.3 2,-0.3 -0.809 28.9-168.5-102.2 139.3 -22.5 18.6 62.7 17 21 A A E -BC 8 32A 0 -9,-2.7 -9,-2.7 -2,-0.3 15,-0.2 -0.897 14.7-154.6-132.3 157.0 -21.4 17.6 66.3 18 22 A I E - C 0 31A 0 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.972 24.9-118.5-130.3 144.7 -21.0 19.0 69.8 19 23 A P E + C 0 30A 41 0, 0.0 76,-0.3 0, 0.0 2,-0.3 -0.627 37.7 175.6 -79.2 141.7 -18.7 17.9 72.6 20 24 A V E - C 0 29A 7 9,-2.9 9,-2.9 -2,-0.3 2,-0.4 -0.991 23.3-149.7-148.5 151.3 -20.4 16.8 75.8 21 25 A S E -DC 93 28A 24 72,-1.8 72,-3.3 -2,-0.3 2,-0.4 -0.989 17.1-166.5-125.7 121.6 -19.4 15.3 79.3 22 26 A I E > +DC 92 27A 2 5,-3.1 5,-1.9 -2,-0.4 70,-0.2 -0.929 43.9 2.9-115.8 133.4 -21.8 12.9 81.1 23 27 A G T 5S- 0 0 9 68,-2.6 3,-0.1 -2,-0.4 41,-0.1 -0.460 93.4 -38.0 98.8-176.7 -21.7 11.7 84.7 24 28 A T T 5S+ 0 0 57 1,-0.3 41,-1.9 -2,-0.1 42,-0.2 -0.948 138.0 19.6-133.9 109.9 -19.5 12.4 87.8 25 29 A P T 5S- 0 0 102 0, 0.0 -1,-0.3 0, 0.0 41,-0.1 0.706 120.5-106.2 -71.7 160.2 -16.6 12.6 87.0 26 30 A G T 5 - 0 0 37 -2,-0.2 2,-0.5 -3,-0.1 -3,-0.2 -0.276 23.1-150.2 -62.6 137.4 -17.6 13.4 83.4 27 31 A Q E < -C 22 0A 33 -5,-1.9 -5,-3.1 30,-0.0 2,-0.3 -0.933 28.0-127.2-102.9 128.6 -17.2 10.8 80.6 28 32 A D E +C 21 0A 106 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.598 33.6 165.3 -89.3 142.3 -16.6 12.6 77.3 29 33 A F E -C 20 0A 6 -9,-2.9 -9,-2.9 -2,-0.3 2,-0.5 -0.981 32.9-133.6-148.4 156.2 -18.5 12.1 74.0 30 34 A L E -C 19 0A 27 -2,-0.3 96,-1.7 -11,-0.2 97,-1.2 -0.970 32.9-162.1-109.7 124.7 -19.0 13.8 70.6 31 35 A L E -Ce 18 127A 0 -13,-2.9 -13,-2.4 -2,-0.5 2,-0.5 -0.944 23.5-118.0-121.0 134.4 -22.7 13.9 69.7 32 36 A L E -Ce 17 128A 4 95,-3.2 97,-2.6 -2,-0.4 2,-0.9 -0.521 34.4-129.8 -63.6 112.7 -24.5 14.5 66.4 33 37 A F E - e 0 129A 0 -17,-2.3 2,-0.6 -2,-0.5 -17,-0.3 -0.598 33.5-175.5 -72.3 109.6 -26.5 17.7 66.9 34 38 A D E > + e 0 130A 14 95,-2.7 97,-2.1 -2,-0.9 3,-1.7 -0.802 28.5 176.2-118.2 94.9 -30.0 16.7 65.8 35 39 A T T 3 S+ 0 0 0 -2,-0.6 172,-0.5 1,-0.3 98,-0.2 0.543 84.2 67.7 -69.4 -2.2 -32.9 19.2 65.6 36 40 A G T 3 S+ 0 0 12 96,-0.1 2,-0.3 170,-0.1 -1,-0.3 0.353 102.5 39.8 -96.5 -0.8 -34.9 16.4 64.1 37 41 A S < - 0 0 6 -3,-1.7 95,-2.6 92,-0.2 94,-0.8 -0.947 60.7-147.3-143.7 167.9 -35.0 14.2 67.2 38 42 A S + 0 0 1 98,-0.4 2,-0.5 -2,-0.3 99,-0.2 0.567 65.4 85.6-116.2 -11.2 -35.4 14.5 71.0 39 43 A D - 0 0 5 97,-0.2 2,-0.6 90,-0.1 92,-0.1 -0.824 58.0-150.7 -98.8 130.4 -33.5 11.8 72.8 40 44 A T + 0 0 5 -2,-0.5 65,-1.3 63,-0.3 2,-0.3 -0.881 31.3 170.0 -96.4 118.8 -29.8 12.3 73.7 41 45 A W E -fG 105 128A 7 87,-1.7 87,-0.7 -2,-0.6 65,-0.2 -0.898 22.1-166.1-132.3 163.4 -28.1 8.9 73.8 42 46 A V E -f 106 0A 0 63,-1.2 65,-2.3 -2,-0.3 85,-0.1 -0.956 38.1 -88.9-143.5 155.7 -24.6 7.3 74.1 43 47 A P E -f 107 0A 12 0, 0.0 16,-2.8 0, 0.0 2,-0.4 -0.440 43.6-126.5 -68.8 143.5 -23.2 3.8 73.5 44 48 A H B > -o 59 0B 34 63,-2.3 3,-3.0 14,-0.2 16,-0.2 -0.758 26.8-101.3 -95.5 133.2 -23.3 1.6 76.6 45 49 A K T 3 S+ 0 0 107 14,-2.6 3,-0.1 -2,-0.4 -1,-0.1 -0.336 114.8 39.7 -50.1 121.9 -20.1 -0.2 77.8 46 50 A G T 3 S+ 0 0 57 1,-0.6 -1,-0.3 7,-0.1 2,-0.2 0.003 82.8 118.3 121.6 -28.1 -20.7 -3.7 76.5 47 51 A a < - 0 0 6 -3,-3.0 -1,-0.6 60,-0.2 2,-0.2 -0.543 50.9-158.7 -72.0 136.7 -22.1 -2.8 73.2 48 52 A T > > - 0 0 64 60,-0.3 5,-2.7 -2,-0.2 3,-1.9 -0.621 34.3 -95.5-115.1 176.3 -19.9 -4.1 70.4 49 53 A K G > 5S+ 0 0 65 1,-0.3 3,-1.6 3,-0.2 5,-0.2 0.855 123.0 61.8 -57.7 -34.8 -19.1 -3.6 66.8 50 54 A S G 3 5S+ 0 0 115 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.679 106.2 45.3 -66.3 -19.5 -21.6 -6.3 66.0 51 55 A E G < 5S- 0 0 65 -3,-1.9 59,-3.1 2,-0.1 -1,-0.3 0.295 131.1 -93.5-102.5 3.0 -24.3 -4.2 67.6 52 56 A G T < 5S+ 0 0 13 -3,-1.6 2,-1.3 -4,-0.2 -3,-0.2 0.498 90.1 125.3 100.2 0.6 -23.2 -1.1 65.8 53 57 A a < + 0 0 8 -5,-2.7 -1,-0.2 1,-0.2 -3,-0.1 -0.726 21.0 151.7 -95.9 82.5 -20.9 0.3 68.5 54 58 A V + 0 0 33 -2,-1.3 -1,-0.2 60,-0.3 -5,-0.1 0.214 44.1 90.5 -95.1 10.1 -17.8 0.6 66.3 55 59 A G S S- 0 0 21 2,-0.1 -6,-0.1 71,-0.1 65,-0.1 -0.204 74.6-126.9 -96.0-168.0 -16.3 3.5 68.3 56 60 A S S S+ 0 0 96 63,-0.1 2,-0.5 -2,-0.1 -1,-0.0 0.516 81.1 81.5-117.5 -14.7 -14.0 3.7 71.3 57 61 A R + 0 0 83 -30,-0.0 2,-0.3 -12,-0.0 -2,-0.1 -0.871 55.8 170.7 -99.4 124.8 -15.8 5.9 73.7 58 62 A F - 0 0 36 -2,-0.5 2,-0.5 -16,-0.1 -14,-0.2 -0.930 33.8-114.4-131.1 154.4 -18.5 4.2 75.9 59 63 A F B -o 44 0B 0 -16,-2.8 -14,-2.6 -2,-0.3 -36,-0.1 -0.784 24.2-167.7 -93.6 127.1 -20.6 5.1 78.9 60 64 A D > - 0 0 59 -2,-0.5 3,-0.6 -16,-0.2 4,-0.2 -0.934 6.0-168.3-115.1 106.5 -19.9 3.2 82.1 61 65 A P G > S+ 0 0 19 0, 0.0 3,-1.7 0, 0.0 6,-0.3 0.828 84.1 62.3 -59.1 -40.9 -22.7 3.8 84.8 62 66 A S G 3 S+ 0 0 114 1,-0.3 5,-0.0 3,-0.1 -2,-0.0 0.816 100.0 55.1 -56.7 -35.0 -20.6 2.2 87.6 63 67 A A G < S+ 0 0 56 -3,-0.6 2,-0.6 1,-0.1 -1,-0.3 0.549 96.1 79.2 -77.1 -9.6 -18.0 4.9 87.2 64 68 A S X - 0 0 9 -3,-1.7 3,-0.8 -4,-0.2 -41,-0.1 -0.900 57.2-168.0-108.2 120.2 -20.6 7.7 87.7 65 69 A S T 3 S+ 0 0 103 -41,-1.9 -1,-0.1 -2,-0.6 -3,-0.1 0.541 88.9 54.5 -79.0 -11.1 -21.8 8.5 91.2 66 70 A T T 3 S+ 0 0 57 -42,-0.2 2,-0.4 -41,-0.1 -1,-0.2 0.273 80.9 120.8-104.1 8.1 -24.7 10.7 90.0 67 71 A F < + 0 0 51 -3,-0.8 2,-0.4 -6,-0.3 23,-0.2 -0.584 35.3 177.3 -77.2 131.6 -26.2 7.9 87.8 68 72 A K E -H 89 0A 134 21,-2.4 21,-3.0 -2,-0.4 -3,-0.0 -0.968 19.9-141.7-138.1 111.4 -29.7 6.9 88.6 69 73 A A E -H 88 0A 68 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.235 13.5-159.4 -68.6 161.1 -31.3 4.2 86.4 70 74 A T E - 0 0 34 17,-1.4 -1,-0.0 2,-0.2 17,-0.0 -0.752 25.2-119.7-127.6-179.4 -35.0 4.4 85.4 71 75 A N E S+ 0 0 154 -2,-0.3 2,-0.2 15,-0.1 17,-0.1 0.614 77.2 106.3-101.1 -10.7 -37.3 1.7 84.2 72 76 A Y E - 0 0 93 1,-0.1 15,-2.6 14,-0.1 -2,-0.2 -0.460 60.0-146.0 -72.0 129.6 -38.1 3.2 80.9 73 77 A N E -H 86 0A 66 13,-0.2 2,-0.5 -2,-0.2 13,-0.3 -0.485 11.9-124.8 -88.3 166.5 -36.5 1.4 77.9 74 78 A L E +H 85 0A 0 11,-2.6 11,-2.1 32,-0.2 2,-0.4 -0.972 33.3 167.2-116.3 122.6 -35.4 3.3 74.8 75 79 A N E +H 84 0A 61 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.951 11.8 165.6-136.6 111.5 -36.8 2.1 71.5 76 80 A I E -H 83 0A 17 7,-1.9 7,-0.8 -2,-0.4 2,-0.3 -0.869 20.2-166.6-127.8 166.4 -36.3 4.3 68.4 77 81 A T + 0 0 113 -2,-0.3 -2,-0.0 5,-0.2 3,-0.0 -0.972 14.6 172.7-152.6 128.0 -36.5 4.1 64.7 78 82 A Y S S- 0 0 113 -2,-0.3 2,-0.3 0, 0.0 -1,-0.0 0.076 79.0 -65.0-121.0 17.8 -35.3 6.5 62.1 79 83 A G 0 0 63 1,-0.0 33,-0.1 33,-0.0 242,-0.0 -0.690 360.0 360.0 139.2 -83.0 -36.1 4.3 59.1 80 84 A T 0 0 122 -2,-0.3 32,-0.1 31,-0.1 -1,-0.0 0.352 360.0 360.0-140.3 360.0 -34.1 1.0 59.0 81 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 82 86 A G 0 0 15 0, 0.0 29,-3.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-169.2 -32.8 2.9 65.2 83 87 A A E -HI 76 110A 0 -7,-0.8 -7,-1.9 27,-0.2 2,-0.4 -0.968 360.0-146.2-165.5 149.3 -31.4 1.9 68.7 84 88 A N E +HI 75 109A 65 25,-2.1 24,-3.5 -2,-0.3 25,-1.0 -0.972 40.8 104.2-124.6 140.7 -32.4 0.1 71.9 85 89 A G E -HI 74 107A 8 -11,-2.1 -11,-2.6 -2,-0.4 2,-0.3 -0.831 57.0 -64.7-172.5-144.7 -31.3 0.9 75.4 86 90 A L E -HI 73 106A 39 20,-2.0 20,-2.0 -13,-0.3 2,-0.3 -0.951 29.3-126.7-136.3 149.1 -32.4 2.4 78.8 87 91 A Y E + I 0 105A 0 -15,-2.6 -17,-1.4 -2,-0.3 2,-0.3 -0.691 36.5 168.1 -89.7 148.6 -33.3 5.8 80.1 88 92 A F E -HI 69 104A 0 16,-1.9 16,-2.3 -2,-0.3 2,-0.4 -0.909 31.7-117.7-152.5 168.7 -31.3 6.9 83.1 89 93 A E E +HI 68 103A 36 -21,-3.0 -21,-2.4 -2,-0.3 2,-0.3 -0.924 46.7 132.9-117.3 140.3 -30.8 10.2 85.0 90 94 A D E - 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