==== 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 19-FEB-08 3C9X . COMPND 2 MOLECULE: TRICHODERMA REESEI ASPARTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHODERMA REESEI; . AUTHOR A.S.NASCIMENTO,S.KRAUCHENCO,A.M.GOLUBEV,A.GUSTCHINA,A.WLODAW . 329 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 70.5 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 . 103 31.3 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 . 2 0.6 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 . 44 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 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 . 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 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 3 6 4 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 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,-2.6 0, 0.0 153,-0.3 0.000 360.0 360.0 360.0 132.2 -8.8 69.6 11.7 2 -1 A T - 0 0 62 150,-0.2 2,-0.3 151,-0.1 170,-0.2 -0.845 360.0-141.3-138.1 173.1 -5.6 68.3 10.0 3 0 A G E -A 171 0A 1 168,-1.9 168,-3.1 -2,-0.3 2,-0.4 -0.973 8.7-170.9-134.9 151.8 -1.8 68.3 10.4 4 1 A S E -A 170 0A 47 93,-2.0 166,-0.2 -2,-0.3 93,-0.1 -0.889 7.4-177.7-143.3 119.1 0.9 68.7 7.8 5 2 A A E -A 169 0A 4 164,-3.2 164,-2.6 -2,-0.4 162,-0.1 -0.955 23.2-130.7-122.8 114.9 4.5 68.0 8.8 6 3 A P E -A 168 0A 95 0, 0.0 14,-0.6 0, 0.0 162,-0.3 -0.371 26.2-165.5 -58.3 142.5 7.4 68.4 6.3 7 4 A N E -AB 167 19A 1 160,-1.8 160,-1.7 153,-0.2 12,-0.2 -0.809 4.9-164.8-121.2 165.8 9.8 65.5 6.0 8 5 A H E - B 0 18A 80 10,-1.5 10,-2.8 -2,-0.3 158,-0.1 -0.985 28.5-102.7-147.5 149.7 13.3 65.2 4.5 9 6 A P E - B 0 17A 18 0, 0.0 8,-0.2 0, 0.0 3,-0.0 -0.427 26.8-136.9 -66.0 140.9 15.7 62.4 3.4 10 7 A S S S- 0 0 37 6,-2.4 2,-0.3 -2,-0.1 7,-0.1 0.730 78.1 -3.0 -73.0 -26.6 18.5 61.9 6.0 11 8 A D S > S- 0 0 71 5,-0.3 3,-1.9 0, 0.0 153,-0.3 -0.908 87.4 -77.6-156.0-178.5 21.1 61.6 3.2 12 9 A S T 3 S+ 0 0 102 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.652 125.1 52.1 -67.4 -15.0 21.9 61.5 -0.5 13 10 A A T 3 S- 0 0 11 268,-0.1 -1,-0.3 150,-0.0 -3,-0.0 0.208 109.3-119.4-106.1 14.7 20.7 57.9 -0.7 14 11 A D < + 0 0 1 -3,-1.9 -2,-0.1 1,-0.1 3,-0.1 0.900 50.5 165.7 52.0 47.4 17.3 58.5 1.0 15 12 A S - 0 0 42 1,-0.2 2,-0.3 292,-0.0 292,-0.1 0.883 63.6 -15.7 -63.8 -41.3 18.2 56.1 3.7 16 13 A E - 0 0 35 -5,-0.1 -6,-2.4 206,-0.1 2,-0.4 -0.930 69.6-114.2-154.7 166.1 15.3 57.2 6.1 17 14 A Y E -B 9 0A 0 -2,-0.3 17,-0.4 203,-0.3 2,-0.4 -0.943 23.3-151.5-117.9 136.2 13.0 60.2 6.3 18 15 A I E +B 8 0A 6 -10,-2.8 -10,-1.5 -2,-0.4 2,-0.3 -0.910 15.1 176.3-113.6 132.2 13.1 62.7 9.2 19 16 A T E -BC 7 32A 1 13,-2.0 13,-2.7 -2,-0.4 2,-0.2 -0.990 29.9-115.6-135.4 138.2 10.1 64.7 10.5 20 17 A S E - C 0 31A 73 -14,-0.6 77,-0.4 -2,-0.3 2,-0.4 -0.552 28.8-172.3 -75.7 141.5 9.8 67.2 13.5 21 18 A V E - C 0 30A 1 9,-2.2 9,-2.8 -2,-0.2 2,-0.6 -0.997 14.9-142.7-128.9 137.1 7.6 66.3 16.4 22 19 A S E -DC 95 29A 33 73,-2.9 73,-3.2 -2,-0.4 2,-0.4 -0.892 20.7-174.7-104.5 119.6 6.7 68.6 19.3 23 20 A I E > -DC 94 28A 0 5,-2.9 5,-2.1 -2,-0.6 71,-0.2 -0.923 40.3 -7.0-114.2 133.2 6.4 67.0 22.7 24 21 A G T 5S- 0 0 3 69,-2.8 40,-0.1 -2,-0.4 4,-0.1 -0.092 89.6 -39.4 88.2 178.3 5.4 68.6 26.0 25 22 A T T 5S+ 0 0 43 2,-0.1 40,-2.4 1,-0.1 41,-0.3 -0.974 132.0 26.6-131.2 114.0 4.5 72.0 27.4 26 23 A P T 5S- 0 0 98 0, 0.0 40,-0.1 0, 0.0 -1,-0.1 0.668 120.7 -98.9 -61.2 164.0 6.4 74.1 26.3 27 24 A A T 5 - 0 0 61 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.301 30.8-159.6 -62.9 133.3 7.1 72.2 23.1 28 25 A Q E < -C 23 0A 32 -5,-2.1 -5,-2.9 -4,-0.1 2,-0.5 -0.985 17.8-144.5-110.1 119.7 10.3 70.2 22.9 29 26 A V E +C 22 0A 84 -2,-0.5 -7,-0.2 -7,-0.2 29,-0.1 -0.758 23.2 175.7 -95.6 119.4 11.0 69.6 19.2 30 27 A L E -C 21 0A 1 -9,-2.8 -9,-2.2 -2,-0.5 2,-0.7 -0.966 31.3-126.8-121.5 139.3 12.6 66.3 18.2 31 28 A P E +C 20 0A 32 0, 0.0 92,-3.0 0, 0.0 2,-0.3 -0.782 40.2 179.2 -81.7 119.2 13.4 64.8 14.8 32 29 A L E -C 19 0A 0 -13,-2.7 -13,-2.0 -2,-0.7 2,-0.7 -0.791 32.5-119.2-125.2 158.7 11.8 61.4 14.6 33 30 A D E -e 125 0A 16 91,-2.4 93,-2.1 -2,-0.3 2,-0.4 -0.861 25.5-141.3 -98.4 110.4 11.5 58.6 12.1 34 31 A F E -e 126 0A 0 -2,-0.7 2,-0.5 -17,-0.4 -17,-0.2 -0.584 25.2-171.3 -72.1 121.6 7.8 58.0 11.2 35 32 A D E > -e 127 0A 13 91,-3.1 93,-2.9 -2,-0.4 3,-1.5 -0.872 26.8-177.3-129.2 101.9 7.6 54.2 10.8 36 33 A T T 3 S+ 0 0 1 -2,-0.5 159,-0.5 1,-0.3 94,-0.2 0.504 85.4 67.6 -78.1 3.7 4.5 52.4 9.4 37 34 A G T 3 S+ 0 0 15 92,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.338 103.2 42.4 -99.7 1.5 6.3 49.1 10.2 38 35 A S < - 0 0 11 -3,-1.5 91,-2.9 88,-0.2 90,-0.7 -0.946 62.7-145.4-143.4 176.3 6.2 49.5 13.9 39 36 A S + 0 0 5 94,-0.4 2,-0.4 -2,-0.3 95,-0.1 0.183 63.1 94.7-130.2 13.0 3.8 50.6 16.7 40 37 A D - 0 0 0 94,-0.1 2,-0.8 -5,-0.1 87,-0.5 -0.931 54.6-151.5-112.1 133.5 5.9 52.3 19.4 41 38 A L E +F 126 0A 3 -2,-0.4 66,-2.6 85,-0.2 2,-0.3 -0.902 35.7 164.5 -96.7 109.0 6.5 56.0 19.8 42 39 A W E -Fg 125 107A 0 83,-1.6 83,-1.6 -2,-0.8 2,-0.3 -0.942 14.6-170.7-131.4 147.7 9.9 56.1 21.6 43 40 A V E -Fg 124 108A 0 64,-2.5 66,-2.6 -2,-0.3 2,-0.3 -0.953 32.8-107.6-137.9 153.9 12.4 58.9 22.1 44 41 A F + 0 0 1 79,-2.2 15,-2.2 -2,-0.3 2,-0.2 -0.640 56.5 172.0 -69.0 136.6 15.9 59.6 23.4 45 42 A S B > -o 59 0B 1 64,-0.5 3,-1.6 -2,-0.3 15,-0.2 -0.767 52.6 -81.8-142.0-178.8 15.3 61.4 26.7 46 43 A S T 3 S+ 0 0 54 13,-1.9 14,-0.1 1,-0.3 4,-0.1 0.624 128.2 56.8 -66.5 -11.9 16.9 62.8 29.8 47 44 A E T 3 S+ 0 0 55 12,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.417 81.7 102.2 -95.6 -6.4 16.9 59.1 31.0 48 45 A T S < S- 0 0 5 -3,-1.6 62,-0.2 1,-0.1 5,-0.1 -0.632 94.9 -91.7 -75.6 136.6 18.8 57.8 28.0 49 46 A P >> - 0 0 53 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.243 33.4-129.5 -49.5 135.5 22.4 57.1 29.0 50 47 A K H 3> S+ 0 0 182 1,-0.3 4,-1.4 2,-0.2 -2,-0.1 0.834 108.1 59.5 -64.9 -28.2 24.3 60.3 28.2 51 48 A S H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.733 112.5 40.2 -69.4 -27.7 27.0 58.3 26.3 52 49 A S H <4 S+ 0 0 22 -3,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.786 119.4 43.4 -86.1 -34.9 24.2 57.1 24.0 53 50 A A H >< S+ 0 0 10 -4,-2.2 3,-2.7 -5,-0.1 -2,-0.2 0.531 78.0 126.3 -91.2 -11.2 22.2 60.4 23.7 54 51 A T T 3< S+ 0 0 106 -4,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.253 81.1 14.8 -54.9 135.7 25.1 62.8 23.2 55 52 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 66,-0.0 -1,-0.3 0.322 106.9 104.7 82.1 -6.6 24.6 64.9 20.0 56 53 A H S < S- 0 0 14 -3,-2.7 -1,-0.3 65,-0.1 2,-0.1 -0.836 78.1-112.5-103.9 143.8 20.9 63.9 19.8 57 54 A A - 0 0 42 -2,-0.4 2,-0.3 63,-0.4 -13,-0.3 -0.486 43.7-158.7 -61.1 142.7 18.0 66.1 20.7 58 55 A I - 0 0 64 -2,-0.1 2,-0.5 -29,-0.1 -13,-0.3 -0.928 19.7-123.8-130.3 157.4 16.2 64.7 23.7 59 56 A Y B -o 45 0B 0 -15,-2.2 -13,-1.9 -2,-0.3 -12,-0.3 -0.848 20.1-166.6 -94.1 125.6 12.9 64.8 25.6 60 57 A T > - 0 0 16 -2,-0.5 3,-1.8 -15,-0.2 4,-0.2 -0.889 2.8-169.3-112.9 100.0 13.1 65.9 29.2 61 58 A P G > S+ 0 0 5 0, 0.0 3,-1.7 0, 0.0 6,-0.3 0.823 82.4 64.3 -63.3 -29.7 9.8 65.1 30.9 62 59 A S G 3 S+ 0 0 108 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.654 99.3 55.1 -65.0 -14.4 10.6 67.1 34.1 63 60 A K G < S+ 0 0 151 -3,-1.8 2,-0.5 -37,-0.0 -1,-0.3 0.363 94.3 83.2 -96.1 3.2 10.6 70.3 32.0 64 61 A S X - 0 0 7 -3,-1.7 3,-1.1 -4,-0.2 -40,-0.1 -0.944 64.7-156.2-111.0 123.7 7.1 69.7 30.7 65 62 A S T 3 S+ 0 0 102 -40,-2.4 -1,-0.1 -2,-0.5 -3,-0.0 0.605 94.3 51.4 -72.5 -8.3 4.2 70.7 32.8 66 63 A T T 3 S+ 0 0 55 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.1 0.378 83.1 111.7-111.3 -0.2 1.9 68.1 31.0 67 63AA S < - 0 0 30 -3,-1.1 2,-0.3 -6,-0.3 25,-0.2 -0.454 40.1-178.3 -75.0 151.4 4.1 65.0 31.4 68 64 A K E -H 91 0A 142 23,-1.8 23,-2.4 -2,-0.1 2,-0.2 -0.956 25.5-126.9-146.0 124.7 3.0 62.1 33.7 69 65 A K E -H 90 0A 121 -2,-0.3 2,-1.0 21,-0.2 21,-0.3 -0.520 22.1-130.9 -65.8 140.3 5.0 59.0 34.3 70 66 A V > - 0 0 40 19,-3.0 3,-1.8 -2,-0.2 19,-0.4 -0.816 27.6-130.2 -94.9 105.0 3.0 55.8 33.7 71 67 A S T 3 S+ 0 0 119 -2,-1.0 3,-0.1 1,-0.2 19,-0.0 -0.268 82.6 5.4 -57.1 131.7 3.5 53.7 36.8 72 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 66,-0.0 -1,-0.2 0.465 94.8 131.6 80.8 -0.4 4.6 50.1 36.2 73 69 A A < + 0 0 14 -3,-1.8 16,-0.5 16,-0.2 2,-0.3 -0.666 24.8 164.5 -91.8 140.4 4.9 50.4 32.4 74 70 A S B -P 137 0C 61 63,-2.4 63,-2.7 -2,-0.3 2,-0.3 -0.934 12.6-166.0-141.6 168.6 8.0 49.2 30.5 75 71 A W E -I 87 0A 7 12,-1.6 12,-2.1 -2,-0.3 2,-0.3 -0.987 7.1-178.4-154.0 151.2 8.8 48.5 26.8 76 72 A S E -I 86 0A 72 59,-0.5 2,-0.3 -2,-0.3 10,-0.2 -0.969 10.2-177.6-148.4 145.6 11.4 46.7 24.8 77 73 A I E -I 85 0A 18 8,-2.5 8,-1.8 -2,-0.3 2,-0.4 -0.995 16.4-165.3-148.0 145.7 11.7 46.4 21.0 78 74 A S E -I 84 0A 97 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.994 23.8-148.0-125.5 135.6 14.0 44.7 18.4 79 75 A Y > - 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