==== 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 25-SEP-08 3EMY . COMPND 2 MOLECULE: TRICHODERMA REESEI ASPARTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR A.S.NASCIMENTO,S.KRAUCHENCO,A.M.GOLUBEV,A.GUSTCHINA,A.WLODAW . 334 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 31.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 1 1 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 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 0 PARALLEL BRIDGES PER LADDER . 3 3 5 4 3 1 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 1 1 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 -2 A X 0 0 114 0, 0.0 152,-2.8 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 137.6 -8.9 69.7 11.8 2 -1 A T - 0 0 69 150,-0.2 2,-0.3 151,-0.1 170,-0.2 -0.846 360.0-142.1-138.9 175.2 -5.7 68.5 10.1 3 0 A G E -A 171 0A 2 168,-2.0 168,-3.0 -2,-0.3 2,-0.3 -0.966 10.5-173.1-135.1 149.6 -1.9 68.4 10.5 4 1 A S E +A 170 0A 51 93,-1.8 166,-0.2 -2,-0.3 93,-0.0 -0.897 6.9 179.9-145.7 118.2 0.7 68.9 7.9 5 2 A A E -A 169 0A 4 164,-3.1 164,-2.8 -2,-0.3 162,-0.1 -0.961 24.4-130.8-124.8 115.4 4.4 68.2 8.8 6 3 A P E -A 168 0A 96 0, 0.0 14,-0.6 0, 0.0 162,-0.3 -0.359 26.5-164.0 -60.3 138.7 7.3 68.7 6.3 7 4 A N E -AB 167 19A 1 160,-1.7 160,-1.9 153,-0.2 12,-0.2 -0.821 6.2-166.0-118.6 166.5 9.7 65.7 6.1 8 5 A H E - B 0 18A 81 10,-1.7 10,-3.1 -2,-0.3 158,-0.1 -0.994 30.5-102.2-148.1 150.1 13.2 65.3 4.6 9 6 A P E - B 0 17A 18 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.421 30.1-134.7 -68.7 145.3 15.6 62.4 3.7 10 7 A S S S- 0 0 26 6,-2.6 2,-0.3 -2,-0.1 7,-0.1 0.687 79.6 -1.9 -78.1 -18.6 18.2 62.0 6.4 11 8 A D S > S- 0 0 72 5,-0.3 3,-1.5 0, 0.0 153,-0.2 -0.922 89.5 -79.9-157.2-177.1 21.1 61.7 3.9 12 9 A S T 3 S+ 0 0 105 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.616 123.3 55.5 -74.0 -9.7 21.8 61.6 0.1 13 10 A A T 3 S- 0 0 12 268,-0.1 -1,-0.3 150,-0.0 150,-0.0 0.161 109.4-119.1-105.4 15.3 20.8 57.9 -0.2 14 11 A D < + 0 0 0 -3,-1.5 -2,-0.1 1,-0.1 293,-0.1 0.868 51.9 164.4 50.9 46.4 17.2 58.5 1.3 15 12 A S - 0 0 35 1,-0.1 2,-0.3 292,-0.0 292,-0.1 0.878 65.0 -19.3 -59.7 -42.0 18.1 56.0 4.1 16 13 A E - 0 0 12 -5,-0.1 -6,-2.6 207,-0.1 2,-0.4 -0.949 68.0-110.0-157.8 171.8 15.1 57.3 6.2 17 14 A Y E -B 9 0A 0 -2,-0.3 17,-0.4 203,-0.3 2,-0.4 -0.931 24.8-152.9-120.2 135.9 12.8 60.3 6.4 18 15 A I E +B 8 0A 4 -10,-3.1 -10,-1.7 -2,-0.4 2,-0.3 -0.919 14.4 174.8-116.5 136.3 12.8 62.8 9.3 19 16 A T E -BC 7 32A 1 13,-2.0 13,-2.8 -2,-0.4 -12,-0.1 -0.995 31.5-114.0-139.4 139.7 9.9 65.0 10.6 20 17 A S E - C 0 31A 67 -14,-0.6 77,-0.4 -2,-0.3 2,-0.3 -0.464 29.6-174.5 -75.6 143.8 9.7 67.3 13.6 21 18 A V E - C 0 30A 1 9,-1.8 9,-3.2 -2,-0.1 2,-0.6 -0.994 15.8-142.5-136.3 140.3 7.4 66.4 16.5 22 19 A S E -DC 95 29A 32 73,-2.9 73,-2.9 -2,-0.3 2,-0.5 -0.900 20.6-174.7-109.8 121.9 6.7 68.7 19.5 23 20 A I E > -DC 94 28A 0 5,-2.8 5,-1.9 -2,-0.6 71,-0.2 -0.920 40.4 -2.5-116.9 136.0 6.4 67.0 22.8 24 21 A G T 5S- 0 0 3 69,-2.7 40,-0.1 -2,-0.5 71,-0.1 -0.174 89.5 -40.8 91.8 177.9 5.4 68.6 26.1 25 22 A T T 5S+ 0 0 44 2,-0.1 40,-2.5 1,-0.1 41,-0.3 -0.982 132.1 25.4-134.0 114.5 4.7 72.0 27.5 26 23 A P T 5S- 0 0 101 0, 0.0 -1,-0.1 0, 0.0 40,-0.1 0.676 120.4 -99.0 -69.1 170.5 6.4 74.1 26.5 27 24 A A T 5 - 0 0 61 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.306 29.5-160.7 -66.7 133.4 7.1 72.2 23.2 28 25 A Q E < -C 23 0A 33 -5,-1.9 -5,-2.8 -4,-0.1 2,-0.6 -0.988 20.1-143.9-110.1 122.2 10.4 70.3 22.9 29 26 A V E +C 22 0A 81 -2,-0.5 -7,-0.2 -7,-0.2 29,-0.1 -0.775 22.5 179.9-100.6 118.0 10.9 69.8 19.2 30 27 A L E -C 21 0A 2 -9,-3.2 -9,-1.8 -2,-0.6 2,-0.8 -0.950 30.5-127.3-120.6 139.7 12.5 66.4 18.2 31 28 A P E +C 20 0A 33 0, 0.0 92,-2.5 0, 0.0 2,-0.3 -0.742 41.5 179.7 -83.8 116.1 13.3 65.1 14.8 32 29 A L E -C 19 0A 0 -13,-2.8 -13,-2.0 -2,-0.8 2,-0.7 -0.766 32.1-121.7-120.4 159.4 11.6 61.6 14.7 33 30 A D E -e 125 0A 0 91,-2.5 93,-1.9 -2,-0.3 2,-0.4 -0.865 25.6-141.0-101.9 113.4 11.4 58.8 12.1 34 31 A F E -e 126 0A 0 -2,-0.7 2,-0.5 -17,-0.4 93,-0.2 -0.569 23.8-170.4 -79.7 119.7 7.6 58.2 11.3 35 32 A D E > -e 127 0A 0 91,-2.9 93,-2.7 -2,-0.4 3,-1.7 -0.876 26.3-175.9-125.9 99.4 7.4 54.4 10.9 36 33 A T T 3 S+ 0 0 1 -2,-0.5 159,-0.5 1,-0.3 94,-0.2 0.485 86.1 68.3 -76.3 3.4 4.3 52.8 9.6 37 34 A G T 3 S+ 0 0 0 92,-0.1 297,-2.5 157,-0.1 2,-0.3 0.332 100.4 44.8-103.8 13.1 6.1 49.4 10.3 38 35 A S < - 0 0 1 -3,-1.7 91,-3.0 295,-0.2 90,-0.7 -0.929 64.0-144.6-146.4 176.5 6.0 49.7 14.1 39 36 A S + 0 0 6 94,-0.4 2,-0.4 -2,-0.3 102,-0.1 0.189 66.9 88.8-129.5 9.4 3.5 50.7 16.8 40 37 A D - 0 0 1 94,-0.1 2,-0.9 93,-0.1 87,-0.3 -0.957 58.4-148.7-116.4 133.9 5.5 52.5 19.5 41 38 A L + 0 0 2 -2,-0.4 66,-2.9 64,-0.3 2,-0.3 -0.869 35.6 168.0 -94.4 106.4 6.3 56.2 19.8 42 39 A W E -fG 107 125A 0 83,-1.4 83,-1.8 -2,-0.9 2,-0.3 -0.949 12.6-169.5-124.1 146.3 9.8 56.2 21.5 43 40 A V E -fG 108 124A 0 64,-2.4 66,-2.4 -2,-0.3 2,-0.3 -0.940 32.3-108.3-132.6 149.9 12.3 59.0 22.0 44 41 A F + 0 0 0 79,-2.5 15,-2.5 -2,-0.3 2,-0.2 -0.635 57.4 170.5 -62.8 135.8 15.8 59.7 23.2 45 42 A S B > -o 59 0B 1 64,-0.4 3,-1.7 -2,-0.3 15,-0.2 -0.787 53.4 -81.2-141.1-175.7 15.3 61.4 26.5 46 43 A S T 3 S+ 0 0 50 13,-1.9 14,-0.1 1,-0.3 4,-0.1 0.651 128.2 57.4 -68.0 -12.9 17.0 62.6 29.6 47 44 A E T 3 S+ 0 0 55 12,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.490 82.8 100.2 -91.2 -9.3 16.8 59.0 30.8 48 45 A T S < S- 0 0 5 -3,-1.7 62,-0.2 1,-0.1 5,-0.1 -0.618 94.9 -92.9 -72.2 135.3 18.8 57.7 27.7 49 46 A P >> - 0 0 53 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.242 31.1-130.9 -48.2 133.5 22.4 57.0 28.7 50 47 A K H 3> S+ 0 0 173 1,-0.3 4,-1.4 2,-0.2 -2,-0.1 0.843 108.7 60.2 -60.7 -27.4 24.4 60.2 27.9 51 48 A S H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.779 113.0 38.7 -72.8 -26.3 27.0 58.1 26.0 52 49 A S H <4 S+ 0 0 20 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.817 120.6 43.3 -88.5 -34.7 24.1 57.0 23.7 53 50 A A H >< S+ 0 0 9 -4,-2.3 3,-2.5 -5,-0.1 -2,-0.2 0.506 78.2 125.9 -91.9 -5.3 22.2 60.3 23.4 54 51 A T T 3< S+ 0 0 105 -4,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.268 81.1 16.8 -64.0 135.7 25.2 62.7 22.9 55 52 A G T 3 S+ 0 0 67 1,-0.3 2,-0.4 66,-0.0 -1,-0.3 0.320 108.0 104.3 88.0 -9.9 24.7 64.8 19.8 56 53 A H S < S- 0 0 15 -3,-2.5 -1,-0.3 65,-0.0 2,-0.1 -0.831 77.4-114.7-104.2 145.2 20.9 63.9 19.7 57 54 A A - 0 0 45 63,-0.4 2,-0.3 -2,-0.4 -13,-0.2 -0.506 42.1-158.8 -67.4 144.4 18.0 66.2 20.7 58 55 A I - 0 0 63 -2,-0.1 2,-0.5 -15,-0.1 -13,-0.3 -0.913 20.1-124.6-131.7 157.3 16.3 64.7 23.7 59 56 A Y B -o 45 0B 0 -15,-2.5 -13,-1.9 -2,-0.3 -12,-0.3 -0.860 20.8-166.9 -93.8 128.8 12.9 64.9 25.5 60 57 A T > - 0 0 21 -2,-0.5 3,-1.8 -15,-0.2 4,-0.2 -0.904 2.4-168.1-116.9 103.5 13.3 65.8 29.2 61 58 A P G > S+ 0 0 4 0, 0.0 3,-1.8 0, 0.0 6,-0.4 0.799 81.6 67.2 -68.2 -24.5 9.9 65.1 30.8 62 59 A S G 3 S+ 0 0 106 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.689 98.8 53.2 -68.8 -12.5 10.8 67.0 34.0 63 60 A K G < S+ 0 0 151 -3,-1.8 2,-0.5 -37,-0.0 -1,-0.3 0.363 94.1 84.6-101.2 6.8 10.8 70.2 32.0 64 61 A S X - 0 0 7 -3,-1.8 3,-1.1 -4,-0.2 -40,-0.1 -0.946 64.6-156.6-111.0 120.8 7.3 69.6 30.7 65 62 A S T 3 S+ 0 0 102 -40,-2.5 -1,-0.1 -2,-0.5 -3,-0.0 0.611 94.7 50.9 -69.6 -13.2 4.4 70.7 32.9 66 63 A T T 3 S+ 0 0 54 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.2 0.407 84.7 108.7-103.5 -0.7 2.1 68.1 31.1 67 63AA S < - 0 0 29 -3,-1.1 2,-0.3 -6,-0.4 25,-0.2 -0.477 41.3-179.5 -74.3 152.5 4.3 65.0 31.4 68 64 A K E -H 91 0A 144 23,-2.0 23,-2.1 -2,-0.2 2,-0.2 -0.971 26.6-123.3-147.8 137.2 3.3 62.1 33.7 69 65 A K E -H 90 0A 119 -2,-0.3 2,-1.0 21,-0.2 21,-0.3 -0.524 21.0-132.0 -77.2 138.9 5.2 58.9 34.3 70 66 A V E > - 0 0 40 19,-3.0 3,-1.8 -2,-0.2 19,-0.4 -0.812 28.7-130.4 -92.8 106.5 3.2 55.7 33.7 71 67 A S E 3 S+ 0 0 118 -2,-1.0 3,-0.1 1,-0.3 19,-0.0 -0.248 82.8 4.5 -58.0 134.8 3.8 53.7 36.8 72 68 A G E 3 S+ 0 0 64 1,-0.2 2,-0.3 66,-0.1 -1,-0.3 0.475 94.8 132.8 76.7 0.1 4.9 50.1 36.1 73 69 A A E < + 0 0 12 -3,-1.8 16,-0.5 16,-0.2 2,-0.3 -0.685 23.8 162.7 -94.0 138.3 5.0 50.4 32.3 74 70 A S E -HI 88 137A 62 63,-2.3 63,-2.7 -2,-0.3 2,-0.3 -0.927 11.6-171.8-143.7 169.6 8.0 49.1 30.3 75 71 A W E -H 87 0A 7 12,-1.6 12,-2.1 -2,-0.3 2,-0.3 -0.990 9.1-177.4-160.1 151.2 8.7 48.3 26.7 76 72 A S E -H 86 0A 72 59,-0.4 2,-0.3 -2,-0.3 10,-0.3 -0.958 9.1-171.4-151.2 147.2 11.4 46.8 24.4 77 73 A I E -H 85 0A 8 8,-2.5 8,-1.7 -2,-0.3 2,-0.4 -0.994 11.5-158.3-142.0 139.9 11.4 46.4 20.6 78 74 A S E -H 84 0A 63 -2,-0.3 257,-0.4 6,-0.2 6,-0.2 -0.997 22.6-147.0-117.0 128.0 13.7 44.5 18.1 79 75 A Y > - 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