==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-02 1IZD . COMPND 2 MOLECULE: ASPARTIC PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ORYZAE; . AUTHOR S.KAMITORI,A.OHTAKI,H.INO,M.TAKEUCHI . 323 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 34.4 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 . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 6.2 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 . 2 2 6 4 3 2 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 89 0, 0.0 95,-0.2 0, 0.0 146,-0.1 0.000 360.0 360.0 360.0 155.8 38.3 -26.6 31.0 2 2 A A + 0 0 42 146,-0.1 147,-2.2 93,-0.1 148,-0.4 0.587 360.0 26.2 -79.1 -12.3 40.2 -24.4 28.5 3 3 A T + 0 0 54 145,-0.2 2,-0.3 146,-0.1 165,-0.2 -0.970 69.2 159.0-145.2 157.7 37.1 -22.1 28.3 4 4 A G E -A 167 0A 9 163,-1.9 163,-3.3 -2,-0.3 2,-0.3 -0.967 19.0-149.6-173.5 160.2 34.3 -21.1 30.6 5 5 A S E -A 166 0A 57 88,-0.6 2,-0.3 -2,-0.3 161,-0.2 -0.968 5.0-162.5-140.3 155.5 31.6 -18.5 31.3 6 6 A V E -A 165 0A 12 159,-2.0 159,-1.8 -2,-0.3 2,-0.3 -0.981 23.0-119.2-137.8 148.6 29.8 -17.2 34.4 7 7 A T E -A 164 0A 83 -2,-0.3 13,-0.5 157,-0.2 2,-0.4 -0.688 26.5-164.0 -87.1 138.7 26.6 -15.2 34.8 8 8 A T E -AB 163 19A 0 155,-1.9 155,-2.6 -2,-0.3 150,-0.2 -0.989 3.3-166.1-127.1 132.7 26.9 -11.8 36.5 9 9 A N E - B 0 18A 71 9,-2.2 9,-2.9 -2,-0.4 2,-0.1 -0.950 15.6-125.8-123.6 142.0 24.0 -9.8 37.9 10 10 A P E - B 0 17A 28 0, 0.0 7,-0.2 0, 0.0 2,-0.1 -0.448 16.2-135.2 -82.2 152.8 23.7 -6.2 39.0 11 11 A T > - 0 0 35 5,-2.2 3,-2.2 1,-0.3 4,-0.3 -0.333 62.3 -39.9 -90.8-178.8 22.4 -5.0 42.4 12 12 A S G > S+ 0 0 101 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 -0.116 134.2 3.7 -46.9 135.9 19.9 -2.2 42.7 13 13 A N G 3 S- 0 0 79 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.653 121.3 -80.2 59.8 19.2 20.6 0.7 40.2 14 14 A D G < S+ 0 0 1 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.878 83.2 154.1 56.7 38.3 23.5 -1.4 38.8 15 15 A E < - 0 0 86 -3,-1.5 2,-0.3 -4,-0.3 285,-0.1 0.889 68.5 -14.4 -63.4 -40.8 25.6 -0.3 41.7 16 16 A E - 0 0 27 -4,-0.1 -5,-2.2 284,-0.1 2,-0.4 -0.950 66.6-121.6-154.7 167.9 27.8 -3.4 41.4 17 17 A Y E -B 10 0A 4 -2,-0.3 15,-0.4 -7,-0.2 2,-0.4 -0.972 20.1-156.2-122.7 134.2 27.8 -6.8 39.8 18 18 A I E -B 9 0A 20 -9,-2.9 -9,-2.2 -2,-0.4 2,-0.4 -0.892 7.5-171.3-113.2 140.7 28.0 -10.1 41.7 19 19 A T E -BC 8 30A 1 11,-2.5 11,-2.9 -2,-0.4 2,-0.2 -0.996 23.1-122.9-134.4 129.8 29.2 -13.4 40.2 20 20 A Q E + C 0 29A 103 -13,-0.5 2,-0.3 -2,-0.4 73,-0.3 -0.495 38.0 164.2 -73.6 134.7 29.0 -16.8 41.9 21 21 A V E - C 0 28A 3 7,-2.2 7,-2.5 -2,-0.2 2,-0.5 -0.965 33.9-121.2-144.2 158.3 32.3 -18.7 42.3 22 22 A T E -DC 91 27A 45 69,-2.1 69,-2.4 -2,-0.3 2,-0.5 -0.905 22.0-175.2-107.4 133.0 33.5 -21.7 44.3 23 23 A V E > -DC 90 26A 0 3,-2.7 3,-2.3 -2,-0.5 35,-0.3 -0.982 67.9 -42.2-124.8 113.5 36.4 -21.2 46.7 24 24 A G T 3 S- 0 0 14 65,-3.3 67,-0.1 -2,-0.5 64,-0.0 -0.502 125.5 -25.9 64.9-127.8 37.4 -24.5 48.3 25 25 A D T 3 S+ 0 0 125 33,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.356 122.9 92.4 -98.7 5.4 34.2 -26.3 49.2 26 26 A D E < -C 23 0A 43 -3,-2.3 -3,-2.7 32,-0.1 2,-0.5 -0.703 59.7-151.2-104.8 153.0 32.2 -23.1 49.4 27 27 A T E +C 22 0A 80 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.984 28.9 155.9-121.5 125.1 30.1 -21.1 46.8 28 28 A L E -C 21 0A 0 -7,-2.5 -7,-2.2 -2,-0.5 2,-0.6 -0.986 43.0-103.6-149.2 158.7 29.8 -17.4 47.2 29 29 A G E -C 20 0A 0 -2,-0.3 90,-2.6 -9,-0.2 2,-0.3 -0.733 39.5-176.1 -88.2 123.0 29.1 -14.2 45.2 30 30 A L E -C 19 0A 0 -11,-2.9 -11,-2.5 -2,-0.6 2,-0.8 -0.829 29.9-117.8-118.4 156.5 32.1 -12.1 44.4 31 31 A D E -e 121 0A 14 89,-2.5 91,-2.1 -2,-0.3 2,-0.5 -0.817 27.5-140.9 -93.4 104.7 32.5 -8.7 42.8 32 32 A F E -e 122 0A 1 -2,-0.8 2,-0.5 -15,-0.4 91,-0.2 -0.577 25.2-171.5 -68.9 117.0 34.7 -9.2 39.7 33 33 A D E > -e 123 0A 15 89,-2.0 91,-3.0 -2,-0.5 3,-1.5 -0.913 25.4-175.2-121.2 105.0 37.0 -6.1 39.7 34 34 A T T 3 S+ 0 0 1 -2,-0.5 157,-0.4 1,-0.3 92,-0.2 0.472 89.4 61.8 -75.9 0.9 39.2 -5.4 36.7 35 35 A G T 3 S+ 0 0 15 90,-0.1 2,-0.3 155,-0.1 -1,-0.3 0.390 101.0 60.1-103.5 0.2 40.6 -2.5 38.8 36 36 A S < - 0 0 17 -3,-1.5 89,-2.8 86,-0.1 88,-0.5 -0.946 57.3-159.3-130.0 150.7 41.9 -4.7 41.5 37 37 A A + 0 0 2 92,-0.3 2,-0.4 -2,-0.3 93,-0.1 0.125 67.0 96.4-111.6 17.8 44.5 -7.5 41.7 38 38 A D - 0 0 2 -5,-0.1 85,-1.6 92,-0.1 2,-0.6 -0.853 54.5-160.0-111.9 145.9 43.2 -9.0 45.0 39 39 A L E +F 122 0A 6 -2,-0.4 64,-2.8 83,-0.3 2,-0.3 -0.949 28.5 165.1-120.9 102.8 40.8 -11.9 45.5 40 40 A W E -Fg 121 103A 2 81,-1.1 81,-2.3 -2,-0.6 2,-0.3 -0.902 12.7-169.3-121.7 154.2 39.3 -11.6 49.0 41 41 A V E -Fg 120 104A 0 62,-2.3 64,-2.4 -2,-0.3 79,-0.2 -0.973 32.4-105.4-142.7 153.8 36.3 -13.2 50.6 42 42 A F + 0 0 0 77,-2.4 15,-2.5 -2,-0.3 2,-0.2 -0.570 57.0 178.7 -69.5 142.6 34.1 -13.2 53.7 43 43 A S B > -o 57 0B 0 62,-0.5 3,-0.9 13,-0.3 15,-0.2 -0.798 49.0 -90.9-141.0-178.0 35.2 -16.2 55.7 44 44 A S T 3 S+ 0 0 40 13,-2.2 14,-0.1 1,-0.3 4,-0.1 0.704 124.6 60.0 -69.2 -17.8 34.8 -18.2 58.8 45 45 A Q T 3 S+ 0 0 60 12,-0.4 -1,-0.3 60,-0.1 3,-0.1 0.692 82.3 97.5 -81.8 -20.7 37.5 -16.0 60.3 46 46 A T S < S- 0 0 1 -3,-0.9 5,-0.2 1,-0.1 61,-0.1 -0.510 97.0 -91.5 -67.9 134.5 35.3 -12.9 59.7 47 47 A P >> - 0 0 45 0, 0.0 3,-1.7 0, 0.0 4,-1.7 -0.167 29.5-125.9 -48.5 135.5 33.6 -12.0 63.0 48 48 A S H 3> S+ 0 0 82 1,-0.3 4,-0.6 2,-0.2 3,-0.2 0.875 113.4 54.1 -50.9 -39.5 30.2 -13.7 63.2 49 49 A S H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.727 111.4 45.5 -68.8 -21.1 28.6 -10.3 63.8 50 50 A E H <4 S+ 0 0 54 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.661 115.4 43.0 -97.0 -18.6 30.3 -9.0 60.6 51 51 A R H >< S+ 0 0 46 -4,-1.7 3,-2.6 -3,-0.2 -2,-0.2 0.303 77.8 141.3-108.1 7.8 29.5 -11.8 58.2 52 52 A S T 3< S+ 0 0 85 -4,-0.6 3,-0.1 1,-0.3 -3,-0.1 -0.250 76.2 11.7 -52.2 128.1 25.9 -12.3 59.4 53 53 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 64,-0.0 -1,-0.3 0.365 106.3 114.4 84.8 -6.1 23.7 -13.0 56.3 54 54 A H < - 0 0 11 -3,-2.6 -1,-0.3 -26,-0.0 2,-0.3 -0.700 69.1-122.4-100.8 151.2 26.6 -13.6 54.0 55 55 A D - 0 0 85 61,-0.4 2,-0.3 -2,-0.3 -13,-0.2 -0.639 45.6-173.1 -79.7 146.6 27.8 -16.7 52.2 56 56 A Y - 0 0 88 -2,-0.3 2,-0.4 -29,-0.1 -13,-0.3 -0.979 25.9-111.5-147.5 162.1 31.4 -17.3 53.4 57 57 A Y B -o 43 0B 0 -15,-2.5 -13,-2.2 -2,-0.3 -12,-0.4 -0.756 20.1-163.5 -95.2 132.6 34.6 -19.4 52.9 58 58 A T - 0 0 62 -2,-0.4 2,-0.4 -35,-0.3 -33,-0.4 -0.956 25.6-125.6-117.5 111.8 35.8 -21.8 55.5 59 59 A P + 0 0 32 0, 0.0 2,-0.1 0, 0.0 -35,-0.1 -0.399 47.0 165.7 -57.7 112.4 39.4 -22.9 55.0 60 60 A G > - 0 0 34 -2,-0.4 3,-1.8 4,-0.0 -36,-0.0 -0.132 51.4 -47.7-111.9-152.4 39.2 -26.7 54.9 61 61 A S T 3 S+ 0 0 126 1,-0.3 -37,-0.0 -2,-0.1 0, 0.0 0.727 132.7 49.4 -55.6 -27.3 41.3 -29.7 54.0 62 62 A S T 3 S+ 0 0 52 27,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.530 90.8 100.8 -92.2 -5.4 42.3 -28.2 50.6 63 63 A A < - 0 0 20 -3,-1.8 2,-0.4 25,-0.1 25,-0.2 -0.574 50.7-168.3 -83.5 141.7 43.4 -24.9 52.1 64 64 A Q E -H 87 0A 134 23,-2.2 23,-2.7 -2,-0.2 2,-0.1 -0.931 19.1-135.6-131.8 107.3 47.1 -24.1 52.7 65 65 A K E -H 86 0A 94 -2,-0.4 2,-1.2 21,-0.3 21,-0.3 -0.328 4.7-139.1 -65.8 138.7 47.8 -21.1 54.7 66 66 A I E > - 0 0 40 19,-2.8 3,-1.9 3,-0.1 19,-0.4 -0.813 33.7-137.8 -95.8 90.8 50.5 -18.7 53.6 67 67 A D E 3 S+ 0 0 137 -2,-1.2 3,-0.1 1,-0.3 19,-0.0 -0.256 79.3 13.5 -56.0 130.0 51.9 -18.1 57.1 68 68 A G E 3 S+ 0 0 66 1,-0.3 2,-0.3 66,-0.0 -1,-0.3 0.340 93.7 129.1 88.0 -6.8 52.8 -14.5 57.9 69 69 A A E < + 0 0 6 -3,-1.9 16,-0.6 16,-0.2 2,-0.3 -0.621 30.9 174.8 -85.5 141.1 51.0 -13.1 54.9 70 70 A T E -HI 84 133A 79 63,-2.7 63,-2.8 -2,-0.3 2,-0.3 -0.935 11.5-165.0-140.1 161.4 48.5 -10.2 55.3 71 71 A W E +H 83 0A 6 12,-1.6 12,-1.8 -2,-0.3 2,-0.3 -0.984 5.7 179.6-146.8 153.4 46.4 -8.0 53.1 72 72 A S E -H 82 0A 65 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.934 4.5-170.9-158.5 132.4 44.5 -4.8 53.5 73 73 A I E -H 81 0A 22 8,-2.8 8,-1.8 -2,-0.3 2,-0.4 -0.994 6.2-163.0-129.2 131.9 42.5 -2.7 51.1 74 74 A S E -H 80 0A 96 -2,-0.4 2,-0.2 6,-0.2 6,-0.2 -0.911 7.3-154.9-115.9 142.5 41.1 0.8 51.9 75 75 A Y > - 0 0 72 4,-3.0 3,-1.2 -2,-0.4 -2,-0.0 -0.719 27.3-109.0-114.0 164.7 38.3 2.6 49.9 76 76 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.941 115.4 53.1 -54.6 -57.3 37.4 6.2 49.3 77 77 A D T 3 S- 0 0 117 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.557 126.7 -99.7 -59.2 -5.6 34.2 6.3 51.4 78 78 A G S < S+ 0 0 58 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.252 77.2 143.2 105.0 -12.2 36.4 4.9 54.2 79 79 A S + 0 0 5 -5,-0.1 -4,-3.0 30,-0.1 -1,-0.3 -0.287 25.1 176.7 -61.5 146.2 35.3 1.3 53.9 80 80 A S E -H 74 0A 36 -6,-0.2 29,-1.8 2,-0.0 2,-0.3 -0.964 19.7-171.8-149.9 164.3 38.1 -1.2 54.5 81 81 A A E +HJ 73 108A 0 -8,-1.8 -8,-2.8 -2,-0.3 2,-0.3 -0.974 14.3 157.5-156.5 147.0 38.8 -4.9 54.7 82 82 A S E +HJ 72 107A 15 25,-1.8 24,-3.0 -2,-0.3 25,-1.4 -0.982 8.2 123.6-164.9 165.9 41.9 -7.0 55.7 83 83 A G E -HJ 71 105A 6 -12,-1.8 -12,-1.6 22,-0.3 22,-0.2 -0.931 51.4 -53.9 171.6-147.2 43.0 -10.4 57.0 84 84 A D E -HJ 70 104A 9 20,-1.3 20,-1.6 -2,-0.3 2,-0.4 -0.452 45.8-110.9-114.8-170.6 45.3 -13.3 56.2 85 85 A V E + J 0 103A 0 -16,-0.6 -19,-2.8 -19,-0.4 2,-0.3 -0.977 23.7 174.4-137.4 142.0 45.9 -15.6 53.2 86 86 A Y E -HJ 65 102A 29 16,-2.3 16,-4.2 -2,-0.4 2,-0.4 -0.953 28.5-128.3-133.7 152.5 45.4 -19.2 52.1 87 87 A K E +HJ 64 101A 58 -23,-2.7 -23,-2.2 -2,-0.3 2,-0.3 -0.869 45.8 147.5-100.1 135.8 46.0 -20.9 48.8 88 88 A D E - 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