==== 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 HYDROLASE/HYDROLASE INHIBITOR 02-OCT-02 1IZE . COMPND 2 MOLECULE: ASPARTIC PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR S.KAMITORI,A.OHTAKI,H.INO,M.TAKEUCHI . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 0 0.0 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 . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 0 0 1 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 3 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 0 PARALLEL BRIDGES PER LADDER . 3 3 5 4 2 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 0 2 0 1 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 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 A 0 0 100 0, 0.0 95,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-179.4 43.7 48.1 29.4 2 2 A A + 0 0 46 146,-0.1 147,-2.5 93,-0.1 148,-0.4 0.532 360.0 30.8 -89.0 -8.2 41.9 45.2 31.1 3 3 A T + 0 0 59 145,-0.2 2,-0.3 146,-0.1 165,-0.2 -0.955 67.7 170.3-143.3 160.9 40.3 44.2 27.8 4 4 A G E -A 167 0A 9 163,-2.1 163,-3.6 -2,-0.3 2,-0.3 -0.981 14.2-159.1-168.8 158.4 41.3 44.4 24.2 5 5 A S E -A 166 0A 58 88,-0.6 2,-0.3 -2,-0.3 161,-0.2 -0.957 8.4-172.4-141.2 157.5 40.4 43.3 20.7 6 6 A V E -A 165 0A 21 159,-1.6 159,-1.9 -2,-0.3 2,-0.2 -0.990 26.5-109.9-154.6 144.8 42.3 43.0 17.4 7 7 A T E -A 164 0A 80 -2,-0.3 13,-0.5 157,-0.2 2,-0.4 -0.497 26.5-165.7 -77.1 143.0 41.5 42.2 13.8 8 8 A T E -AB 163 19A 0 155,-1.5 155,-2.7 -2,-0.2 11,-0.2 -0.998 4.4-162.7-130.0 133.0 42.6 39.0 12.2 9 9 A N E - B 0 18A 74 9,-2.7 9,-3.1 -2,-0.4 2,-0.1 -0.953 15.7-125.9-120.7 136.1 42.5 38.4 8.5 10 10 A P E - B 0 17A 25 0, 0.0 7,-0.2 0, 0.0 2,-0.1 -0.384 18.4-134.8 -75.4 153.3 42.6 35.1 6.5 11 11 A T > - 0 0 29 5,-2.5 3,-1.9 1,-0.3 149,-0.2 -0.332 60.0 -45.1 -89.6-175.9 45.2 34.5 3.8 12 12 A S G > S+ 0 0 102 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 -0.179 132.5 8.4 -54.1 143.1 44.0 33.0 0.5 13 13 A N G 3 S- 0 0 93 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.633 119.9 -84.7 60.8 16.0 41.6 30.1 0.8 14 14 A D G < S+ 0 0 6 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.880 83.6 152.0 54.5 37.9 41.4 30.8 4.5 15 15 A E < - 0 0 81 -3,-1.7 2,-0.3 1,-0.2 285,-0.1 0.891 68.8 -12.3 -66.6 -38.4 44.6 28.7 4.9 16 16 A E - 0 0 11 -4,-0.2 -5,-2.5 284,-0.0 2,-0.4 -0.967 68.5-118.4-154.7 165.4 45.7 30.7 7.9 17 17 A Y E -B 10 0A 4 -2,-0.3 15,-0.5 198,-0.3 2,-0.4 -0.945 21.7-154.3-116.6 133.7 44.8 33.8 9.8 18 18 A I E -BC 9 31A 13 -9,-3.1 -9,-2.7 -2,-0.4 2,-0.4 -0.880 7.9-171.5-110.9 137.4 47.2 36.8 10.3 19 19 A T E -BC 8 30A 1 11,-2.6 11,-3.1 -2,-0.4 2,-0.3 -0.991 24.5-123.4-128.8 129.8 47.0 39.3 13.1 20 20 A Q E + C 0 29A 104 -13,-0.5 73,-0.3 -2,-0.4 2,-0.3 -0.553 36.8 173.5 -74.6 132.5 49.1 42.5 13.4 21 21 A V E - C 0 28A 1 7,-2.7 7,-3.0 -2,-0.3 2,-0.7 -0.972 31.1-125.8-138.0 149.7 51.2 42.7 16.6 22 22 A T E -DC 91 27A 54 69,-2.3 69,-2.4 -2,-0.3 2,-0.6 -0.887 25.6-178.4-102.5 115.4 53.8 45.1 17.8 23 23 A V E > -DC 90 26A 0 3,-3.7 3,-2.2 -2,-0.7 2,-0.5 -0.945 66.6 -45.5-113.9 109.2 57.0 43.4 18.9 24 24 A G T 3 S- 0 0 16 65,-2.8 67,-0.1 -2,-0.6 33,-0.0 -0.581 124.5 -25.9 70.1-118.3 59.6 45.9 20.2 25 25 A D T 3 S+ 0 0 123 -2,-0.5 2,-0.4 33,-0.4 -1,-0.3 0.379 124.1 91.9-106.4 0.6 59.4 48.8 17.7 26 26 A D E < -C 23 0A 43 -3,-2.2 -3,-3.7 32,-0.1 2,-0.6 -0.801 63.1-147.9-105.9 139.0 58.2 46.5 14.8 27 27 A T E +C 22 0A 75 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.899 29.2 175.9-102.2 119.2 54.7 45.7 13.7 28 28 A L E -C 21 0A 1 -7,-3.0 -7,-2.7 -2,-0.6 2,-0.7 -0.882 34.5-118.3-125.9 157.2 54.5 42.1 12.3 29 29 A G E -C 20 0A 0 -2,-0.3 90,-2.9 -9,-0.2 2,-0.3 -0.853 39.8-174.1 -95.3 116.3 51.8 39.9 11.1 30 30 A L E -C 19 0A 0 -11,-3.1 -11,-2.6 -2,-0.7 2,-0.8 -0.852 28.0-125.6-115.9 150.7 51.6 36.8 13.3 31 31 A D E -Ce 18 121A 2 89,-2.5 91,-2.0 -2,-0.3 2,-0.7 -0.831 26.2-139.9 -92.1 108.6 49.6 33.5 13.1 32 32 A F E - e 0 122A 2 -2,-0.8 2,-0.6 -15,-0.5 91,-0.2 -0.629 26.1-171.9 -73.7 114.4 47.8 33.2 16.4 33 33 A D E > - e 0 123A 0 89,-2.3 91,-2.7 -2,-0.7 3,-1.4 -0.891 27.6-176.7-119.4 104.2 48.1 29.4 17.1 34 34 A T T 3 S+ 0 0 0 -2,-0.6 157,-0.4 1,-0.3 92,-0.2 0.427 84.4 71.9 -75.0 5.4 46.2 27.8 20.0 35 35 A G T 3 S+ 0 0 0 90,-0.1 293,-2.8 155,-0.1 2,-0.3 0.274 102.1 33.6-102.3 8.8 48.1 24.6 19.0 36 36 A S < - 0 0 0 -3,-1.4 89,-2.7 291,-0.2 88,-0.6 -0.972 61.4-143.1-154.8 164.9 51.5 25.7 20.3 37 37 A A + 0 0 2 92,-0.3 2,-0.4 -2,-0.3 93,-0.1 0.060 65.8 99.8-124.4 26.9 53.1 27.8 23.1 38 38 A D - 0 0 0 -5,-0.1 2,-0.8 92,-0.1 85,-0.1 -0.954 53.8-154.7-117.2 130.9 56.0 29.5 21.4 39 39 A L + 0 0 7 -2,-0.4 64,-2.8 62,-0.3 2,-0.3 -0.892 31.6 164.2-102.5 103.5 56.0 33.1 20.2 40 40 A W E -fG 103 121A 0 81,-1.5 81,-1.5 -2,-0.8 2,-0.3 -0.929 15.2-168.3-124.5 150.5 58.6 33.3 17.4 41 41 A V E -fG 104 120A 0 62,-2.2 64,-2.2 -2,-0.3 2,-0.3 -0.922 32.3-104.5-135.4 158.5 59.3 35.8 14.7 42 42 A F + 0 0 0 77,-2.1 15,-2.7 -2,-0.3 2,-0.2 -0.618 58.4 172.6 -72.3 142.1 61.3 36.3 11.5 43 43 A S B > -o 57 0B 0 62,-0.4 3,-1.2 13,-0.3 15,-0.2 -0.781 51.3 -82.1-143.4-173.2 64.1 38.6 12.6 44 44 A S T 3 S+ 0 0 53 13,-2.0 14,-0.1 1,-0.3 4,-0.1 0.630 125.7 58.5 -69.4 -12.9 67.4 40.3 11.7 45 45 A Q T 3 S+ 0 0 58 12,-0.3 -1,-0.3 60,-0.1 3,-0.1 0.590 81.9 100.9 -90.8 -14.2 69.1 37.0 12.6 46 46 A T S < S- 0 0 1 -3,-1.2 5,-0.1 1,-0.1 60,-0.1 -0.555 91.3 -98.3 -72.4 132.2 67.0 35.1 10.0 47 47 A P >> - 0 0 59 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.238 29.7-123.5 -51.7 137.3 69.1 34.5 6.9 48 48 A S H 3> S+ 0 0 86 1,-0.3 4,-0.7 2,-0.2 -2,-0.1 0.815 110.3 57.5 -52.9 -36.6 68.3 37.1 4.2 49 49 A S H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.824 111.0 43.4 -66.4 -30.0 67.4 34.3 1.7 50 50 A E H <4 S+ 0 0 59 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.769 114.4 46.4 -87.4 -27.4 64.8 33.0 4.1 51 51 A R H >< S+ 0 0 55 -4,-1.7 3,-2.5 -5,-0.1 -2,-0.2 0.405 77.9 139.0 -96.2 4.8 63.2 36.3 5.3 52 52 A S T 3< S+ 0 0 86 -4,-0.7 3,-0.1 1,-0.3 -3,-0.1 -0.233 76.2 9.6 -51.8 123.1 63.0 37.7 1.7 53 53 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 64,-0.0 -1,-0.3 0.371 106.5 109.0 87.8 -6.0 59.6 39.5 1.4 54 54 A H S < S- 0 0 10 -3,-2.5 -1,-0.3 65,-0.0 2,-0.3 -0.747 70.1-122.8-103.7 152.5 58.7 39.3 5.1 55 55 A D - 0 0 100 61,-0.4 2,-0.3 -2,-0.3 -13,-0.2 -0.655 42.8-163.2 -83.8 149.0 58.6 42.1 7.6 56 56 A Y - 0 0 86 -2,-0.3 2,-0.4 -15,-0.1 -13,-0.3 -0.933 20.5-105.1-140.8 165.8 60.9 41.2 10.5 57 57 A Y B -o 43 0B 0 -15,-2.7 -13,-2.0 -2,-0.3 -12,-0.3 -0.703 24.1-170.6 -90.2 130.5 61.9 41.9 14.1 58 58 A T - 0 0 63 -2,-0.4 -33,-0.4 -35,-0.3 2,-0.1 -0.976 30.1-119.6-121.7 115.9 65.1 43.8 15.0 59 59 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 -35,-0.1 -0.334 40.5-176.6 -55.9 123.1 66.1 43.8 18.7 60 60 A G > - 0 0 30 -2,-0.1 3,-1.0 4,-0.0 -36,-0.0 -0.095 45.3 -67.3-104.6-155.2 66.2 47.4 19.9 61 61 A S T 3 S+ 0 0 134 1,-0.2 -37,-0.0 -2,-0.1 0, 0.0 0.709 129.0 56.6 -72.0 -21.7 67.0 49.2 23.2 62 62 A S T 3 S+ 0 0 63 27,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.471 91.8 95.6 -88.5 -1.2 64.1 47.7 25.0 63 63 A A < - 0 0 17 -3,-1.0 2,-0.4 25,-0.1 25,-0.2 -0.685 51.9-172.3 -94.1 143.4 65.3 44.2 24.2 64 64 A Q E -H 87 0A 154 23,-2.1 23,-2.3 -2,-0.3 2,-0.2 -0.975 20.5-132.5-136.1 118.8 67.4 42.0 26.4 65 65 A K E -H 86 0A 102 -2,-0.4 2,-1.1 21,-0.2 21,-0.3 -0.464 11.5-134.0 -73.5 139.8 68.9 38.7 25.3 66 66 A I E > - 0 0 40 19,-2.5 3,-1.8 -2,-0.2 19,-0.4 -0.789 30.8-133.9 -94.3 94.9 68.5 35.7 27.5 67 67 A D E 3 S+ 0 0 141 -2,-1.1 3,-0.1 1,-0.3 19,-0.0 -0.135 81.6 10.7 -53.4 137.6 72.0 34.2 27.4 68 68 A G E 3 S+ 0 0 69 1,-0.2 2,-0.3 66,-0.0 -1,-0.3 0.420 95.8 130.0 75.9 -2.4 72.4 30.5 26.8 69 69 A A E < + 0 0 9 -3,-1.8 16,-0.7 16,-0.2 2,-0.3 -0.680 28.8 168.8 -89.6 138.4 68.7 30.1 25.9 70 70 A T E -HI 84 133A 72 63,-2.0 63,-2.8 -2,-0.3 2,-0.3 -0.935 15.1-160.5-141.6 162.6 67.6 28.3 22.7 71 71 A W E +H 83 0A 5 12,-1.7 12,-1.9 -2,-0.3 2,-0.3 -0.989 8.4 176.9-146.2 151.2 64.5 27.0 21.1 72 72 A S E -H 82 0A 85 -2,-0.3 2,-0.3 59,-0.3 10,-0.2 -0.921 9.9-176.0-156.9 125.8 63.6 24.5 18.4 73 73 A I E -H 81 0A 8 8,-2.6 8,-1.5 -2,-0.3 2,-0.4 -0.959 13.5-163.8-133.9 149.2 60.2 23.4 17.3 74 74 A S E -H 80 0A 57 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.999 17.6-150.8-129.6 128.6 58.6 20.9 14.9 75 75 A Y > - 0 0 4 4,-2.7 3,-2.0 -2,-0.4 253,-0.2 -0.501 30.2-100.6 -99.7 168.7 55.0 21.1 13.8 76 76 A G T 3 S+ 0 0 38 251,-2.8 251,-0.2 250,-0.5 252,-0.1 0.721 120.2 52.7 -58.4 -26.5 52.5 18.4 12.7 77 77 A D T 3 S- 0 0 50 249,-1.2 -1,-0.3 250,-0.2 3,-0.1 0.296 122.7-101.7 -93.8 9.6 52.9 19.2 9.0 78 78 A G S < S+ 0 0 58 -3,-2.0 -2,-0.1 1,-0.3 33,-0.0 0.346 78.5 135.3 90.8 -7.3 56.7 18.7 9.2 79 79 A S + 0 0 5 247,-0.2 -4,-2.7 248,-0.1 2,-0.3 -0.254 30.0 178.7 -71.5 163.2 57.5 22.5 9.2 80 80 A S E -H 74 0A 50 -6,-0.2 29,-2.3 -3,-0.1 2,-0.3 -0.980 19.9-178.6-159.7 169.5 60.1 23.8 11.7 81 81 A A E +HJ 73 108A 3 -8,-1.5 -8,-2.6 -2,-0.3 2,-0.3 -0.960 6.9 175.2-167.7 157.5 62.1 26.8 13.1 82 82 A S E +HJ 72 107A 31 25,-2.0 24,-3.3 -2,-0.3 25,-2.1 -0.981 16.4 119.7-163.2 163.5 64.7 27.5 15.8 83 83 A G E -HJ 71 105A 7 -12,-1.9 -12,-1.7 -2,-0.3 22,-0.2 -0.949 52.8 -53.8 170.3-149.3 66.9 30.2 17.1 84 84 A D E -HJ 70 104A 10 20,-1.3 20,-1.7 -2,-0.3 2,-0.4 -0.521 47.0-108.1-114.4-174.7 67.7 32.2 20.3 85 85 A V E + J 0 103A 0 -16,-0.7 -19,-2.5 -19,-0.4 2,-0.3 -0.949 25.2 174.8-129.5 141.3 65.6 34.2 22.8 86 86 A Y E -HJ 65 102A 34 16,-2.5 16,-3.8 -2,-0.4 2,-0.4 -0.898 24.6-134.2-130.0 158.0 65.1 37.9 23.7 87 87 A K E +HJ 64 101A 67 -23,-2.3 -23,-2.1 -2,-0.3 2,-0.3 -0.949 42.8 142.4-113.0 135.6 62.7 39.5 26.2 88 88 A D E - 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