==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-11 3TRS . COMPND 2 MOLECULE: ASPERGILLOPEPSIN-2 LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER; . AUTHOR H.SASAKI,K.KUBOTA,W.C.LEE,J.OHTSUKA,M.KOJIMA,K.TAKAHASHI,M.T . 408 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 51.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 3.4 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 . 61 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 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 RESIDUES PER ALPHA HELIX . 0 4 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 0 PARALLEL BRIDGES PER LADDER . 2 6 4 3 4 2 6 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 3 0 0 2 0 2 0 0 0 0 0 0 0 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 E 0 0 126 0, 0.0 185,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 141.5 15.7 -24.5 -15.0 2 3 A Y E +a 186 0A 138 183,-0.2 2,-0.3 5,-0.1 185,-0.2 -0.915 360.0 172.2-111.6 142.2 15.4 -20.9 -16.1 3 4 A S E -a 187 0A 28 183,-2.5 185,-2.6 -2,-0.4 182,-0.0 -0.921 40.8-118.8-135.0 169.5 16.5 -19.5 -19.4 4 5 A S S S+ 0 0 75 -2,-0.3 183,-0.1 183,-0.2 3,-0.1 0.764 108.0 14.2 -73.7 -25.3 16.1 -16.2 -21.0 5 6 A N S S+ 0 0 51 1,-0.1 142,-2.6 181,-0.1 2,-0.5 0.623 106.6 75.2-131.4 -19.7 14.2 -17.6 -23.9 6 7 A W E +B 146 0B 13 180,-0.2 -3,-0.4 140,-0.2 2,-0.4 -0.905 39.8 171.9-112.0 132.6 12.9 -21.1 -23.5 7 8 A A E +B 145 0B 0 138,-2.5 138,-3.0 -2,-0.5 2,-0.4 -0.938 45.8 51.4-124.0 149.8 10.1 -22.4 -21.5 8 9 A G E S-BC 144 185B 0 177,-3.1 177,-3.8 -2,-0.4 2,-0.5 -0.946 87.3 -38.5 131.4-146.0 8.9 -25.9 -21.7 9 10 A A E -BC 143 184B 0 134,-2.7 134,-2.2 -2,-0.4 2,-0.5 -0.970 38.9-169.6-132.8 129.3 10.2 -29.3 -21.4 10 11 A V E -BC 142 183B 0 173,-3.0 173,-3.7 -2,-0.5 2,-0.4 -0.982 10.6-152.7-124.4 119.5 13.4 -30.6 -22.7 11 12 A L E -B 141 0B 9 130,-4.7 130,-1.9 -2,-0.5 2,-0.6 -0.759 10.0-159.5 -82.2 134.3 14.1 -34.3 -22.7 12 13 A I E +B 140 0B 82 -2,-0.4 2,-0.2 128,-0.2 128,-0.2 -0.984 46.9 89.4-116.8 123.1 17.8 -35.0 -22.5 13 14 A G - 0 0 20 126,-2.7 2,-0.3 -2,-0.6 3,-0.1 -0.740 69.0 -68.0-172.8-134.8 18.7 -38.4 -23.7 14 15 A D S S+ 0 0 115 -2,-0.2 125,-0.2 1,-0.1 3,-0.1 -0.969 90.2 20.9-148.6 151.6 19.7 -40.0 -27.0 15 16 A G + 0 0 27 122,-0.5 158,-1.6 -2,-0.3 2,-0.6 0.738 62.2 169.6 64.1 29.3 18.4 -40.9 -30.3 16 17 A Y E +I 172 0C 13 122,-2.9 156,-0.2 156,-0.2 -1,-0.2 -0.641 7.2 158.2 -68.7 120.1 15.5 -38.5 -30.4 17 18 A T E + 0 0 43 154,-2.3 88,-2.9 -2,-0.6 2,-0.3 0.376 59.9 36.1-122.9 -3.6 14.4 -38.7 -33.9 18 19 A K E +IJ 171 104C 63 153,-1.0 153,-3.0 86,-0.3 2,-0.4 -0.958 53.9 175.0-155.0 131.3 10.9 -37.5 -33.5 19 20 A V E +IJ 170 103C 0 84,-2.5 84,-2.7 -2,-0.3 2,-0.3 -0.997 12.5 169.5-136.9 139.1 9.2 -35.0 -31.4 20 21 A T E +IJ 169 102C 10 149,-2.3 149,-1.9 -2,-0.4 2,-0.3 -0.973 6.9 165.5-147.7 154.6 5.7 -34.1 -31.7 21 22 A G E - J 0 101C 0 80,-2.0 80,-3.2 -2,-0.3 2,-0.4 -0.957 20.7-144.4-163.8 157.7 3.2 -32.1 -29.8 22 23 A E E +IJ 166 100C 40 144,-2.2 144,-3.9 -2,-0.3 2,-0.4 -0.996 21.9 174.4-131.5 137.0 -0.2 -30.7 -30.4 23 24 A F E - J 0 99C 1 76,-3.0 76,-3.6 -2,-0.4 2,-0.5 -0.988 33.5-120.0-142.5 157.4 -1.4 -27.5 -29.1 24 25 A T E - J 0 98C 76 140,-0.5 140,-0.3 -2,-0.4 74,-0.3 -0.823 40.9-115.2 -91.6 133.4 -4.4 -25.3 -29.4 25 26 A V - 0 0 1 72,-3.1 71,-3.1 -2,-0.5 2,-0.1 -0.568 37.9-145.5 -70.0 119.4 -3.3 -22.0 -30.7 26 27 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 135,-0.1 -0.425 19.6 -97.7 -86.7 164.0 -4.1 -19.7 -27.9 27 28 A S - 0 0 64 68,-0.1 2,-0.4 -2,-0.1 135,-0.2 -0.606 43.0-148.3 -66.0 137.3 -5.2 -16.1 -28.1 28 29 A V + 0 0 8 -2,-0.3 2,-0.3 38,-0.2 132,-0.2 -0.902 19.7 175.5-107.0 145.4 -2.2 -13.9 -27.7 29 30 A S B -N 159 0D 48 130,-2.5 130,-2.2 -2,-0.4 38,-0.1 -0.835 45.3 -67.1-132.1 176.2 -2.3 -10.5 -26.1 30 31 A A - 0 0 34 -2,-0.3 2,-0.2 128,-0.2 128,-0.1 -0.334 55.2-117.4 -58.6 144.3 0.4 -8.0 -25.2 31 32 A G - 0 0 1 36,-0.1 127,-0.1 1,-0.1 -1,-0.1 -0.614 23.8-171.5 -81.4 149.7 2.7 -9.2 -22.5 32 33 A S + 0 0 85 -2,-0.2 -1,-0.1 177,-0.1 321,-0.1 0.467 66.3 79.3-120.3 -11.7 2.8 -7.2 -19.3 33 34 A S + 0 0 10 124,-0.2 161,-0.1 176,-0.1 124,-0.1 -0.122 63.1 84.7 -77.5-173.2 5.8 -9.0 -17.7 34 35 A G S S- 0 0 12 155,-0.2 319,-2.1 122,-0.1 2,-0.1 0.053 80.2 -67.6 87.8 156.1 9.2 -7.9 -19.0 35 36 A S E -O 352 0E 3 252,-0.3 252,-3.0 317,-0.2 2,-0.3 -0.327 37.8-172.9 -89.9 155.3 11.3 -5.0 -17.8 36 37 A S E O 351 0E 21 315,-2.4 315,-1.8 250,-0.2 250,-0.1 -0.991 360.0 360.0-142.8 143.0 11.0 -1.3 -17.9 37 38 A G 0 0 6 -2,-0.3 246,-0.1 313,-0.2 223,-0.1 -0.695 360.0 360.0-116.2 360.0 13.3 1.6 -17.0 38 !* 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 39 3 B E 0 0 22 0, 0.0 30,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.4 5.0 -3.0 -29.9 40 4 B E E -D 68 0B 69 28,-0.2 116,-0.7 29,-0.1 2,-0.5 -0.644 360.0-170.6 -83.8 134.3 5.1 -6.6 -31.1 41 5 B Y E +De 67 156B 19 26,-3.7 26,-3.6 -2,-0.4 2,-0.3 -0.990 15.4 163.6-121.8 131.3 4.8 -9.3 -28.6 42 6 B a E -De 66 157B 0 114,-2.7 116,-2.3 -2,-0.5 2,-0.3 -0.928 21.0-176.5-137.7 166.9 5.4 -12.8 -29.7 43 7 B A E -D 65 0B 0 22,-1.8 22,-3.8 -2,-0.3 2,-0.4 -0.924 17.5-146.3-150.3 157.3 6.0 -16.2 -28.3 44 8 B S E -DF 64 146B 1 102,-2.1 102,-3.0 -2,-0.3 2,-0.5 -0.950 2.7-158.4-126.7 149.6 6.7 -19.3 -30.3 45 9 B A E +DF 63 145B 0 18,-2.6 18,-2.9 -2,-0.4 2,-0.3 -0.998 30.7 153.5-124.1 128.1 5.7 -22.7 -29.4 46 10 B W E -DF 62 144B 0 98,-3.7 98,-3.7 -2,-0.5 2,-0.4 -0.986 38.9-134.4-150.7 164.6 7.7 -25.3 -31.0 47 11 B V E +DF 61 143B 0 14,-2.5 14,-2.3 -2,-0.3 2,-0.3 -0.915 35.8 166.1-117.3 152.9 8.9 -28.8 -30.8 48 12 B G E -DF 60 142B 0 94,-2.3 94,-3.0 -2,-0.4 2,-0.5 -0.991 38.1-126.5-162.0 159.2 12.4 -29.6 -31.6 49 13 B I E S-DF 59 141B 0 10,-2.4 10,-2.4 -2,-0.3 92,-0.3 -0.976 79.3 -13.2-112.7 126.5 15.3 -31.9 -31.4 50 14 B D + 0 0 0 90,-2.1 5,-0.1 -2,-0.5 8,-0.1 0.013 67.5 120.9 76.7 178.9 18.4 -30.6 -29.8 51 15 B G S S+ 0 0 20 3,-2.5 4,-0.1 6,-0.3 7,-0.1 0.215 74.0 68.3 110.1 -14.2 19.3 -27.0 -29.0 52 16 B D S S- 0 0 33 2,-0.1 -40,-0.1 90,-0.0 88,-0.1 0.846 123.7 -5.6-101.5 -75.9 19.8 -27.6 -25.3 53 17 B T S S+ 0 0 69 1,-0.1 2,-0.7 86,-0.0 -41,-0.0 0.535 132.7 67.9 -95.8 -14.1 22.8 -29.7 -24.5 54 18 B b + 0 0 1 1,-0.1 -3,-2.5 3,-0.1 3,-0.2 -0.940 61.2 170.9-101.4 111.8 23.2 -30.3 -28.2 55 19 B E + 0 0 137 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.550 57.8 81.3 -97.8 -7.8 24.2 -26.9 -29.6 56 20 B T S S- 0 0 78 1,-0.1 2,-0.3 79,-0.1 -1,-0.2 0.784 104.2 -7.6 -76.3 -27.8 25.1 -28.0 -33.1 57 21 B A - 0 0 0 -3,-0.2 2,-0.4 77,-0.1 -6,-0.3 -0.982 49.4-154.6-157.3 158.3 21.6 -28.0 -34.5 58 22 B I E - G 0 81B 14 23,-1.7 23,-2.2 -2,-0.3 2,-0.7 -0.946 7.2-160.4-137.6 129.4 18.0 -27.7 -33.7 59 23 B L E +DG 49 80B 0 -10,-2.4 -10,-2.4 -2,-0.4 2,-0.3 -0.952 37.8 153.8-102.6 112.8 15.5 -29.4 -35.8 60 24 B Q E +DG 48 79B 5 19,-3.3 19,-2.9 -2,-0.7 2,-0.3 -0.981 27.9 178.5-145.3 154.7 12.4 -27.5 -34.9 61 25 B T E +DG 47 78B 0 -14,-2.3 -14,-2.5 -2,-0.3 2,-0.3 -0.982 24.9 119.1-150.5 148.9 9.1 -26.4 -36.0 62 26 B G E -DG 46 77B 0 15,-2.2 15,-2.8 -2,-0.3 2,-0.4 -0.956 50.8 -74.8-179.8-156.9 6.4 -24.5 -34.4 63 27 B V E -DG 45 76B 0 -18,-2.9 -18,-2.6 -2,-0.3 2,-0.5 -0.981 23.8-142.3-133.6 134.5 4.3 -21.5 -34.5 64 28 B D E -DG 44 75B 28 11,-4.0 11,-2.2 -2,-0.4 2,-0.6 -0.837 12.4-159.9 -91.3 134.5 4.9 -18.0 -33.6 65 29 B F E +DG 43 74B 0 -22,-3.8 -22,-1.8 -2,-0.5 2,-0.4 -0.979 18.4 179.8-109.4 122.8 2.1 -16.2 -31.9 66 30 B a E -DG 42 73B 6 7,-3.6 7,-2.7 -2,-0.6 2,-0.4 -0.921 16.7-170.6-124.5 150.2 2.4 -12.5 -32.3 67 31 B Y E +DG 41 72B 59 -26,-3.6 -26,-3.7 -2,-0.4 2,-0.3 -0.998 9.2 171.9-135.0 130.4 0.4 -9.7 -31.1 68 32 B E E > S-DG 40 71B 77 3,-2.7 3,-2.3 -2,-0.4 -28,-0.2 -0.854 72.8 -37.0-144.2 104.4 1.0 -6.2 -32.2 69 33 B D T 3 S- 0 0 130 -30,-0.6 3,-0.1 -2,-0.3 -29,-0.1 0.832 126.9 -39.1 56.7 40.3 -1.4 -3.5 -31.4 70 34 B G T 3 S+ 0 0 47 1,-0.3 2,-0.6 0, 0.0 -1,-0.3 -0.077 114.0 117.2 100.4 -32.9 -4.4 -5.8 -31.8 71 35 B Q E < -G 68 0B 118 -3,-2.3 -3,-2.7 -4,-0.0 2,-0.4 -0.577 46.7-169.4 -67.8 110.6 -3.0 -7.5 -34.8 72 36 B T E -G 67 0B 64 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.3 -0.882 6.3-178.0 -99.0 140.5 -2.5 -11.1 -33.8 73 37 B S E -G 66 0B 45 -7,-2.7 -7,-3.6 -2,-0.4 2,-0.4 -0.992 15.9-163.0-137.8 146.6 -0.6 -13.3 -36.2 74 38 B Y E +G 65 0B 23 -2,-0.4 19,-0.5 19,-0.3 2,-0.4 -1.000 13.8 179.1-129.1 128.5 0.2 -16.9 -36.1 75 39 B D E -G 64 0B 64 -11,-2.2 -11,-4.0 -2,-0.4 2,-0.3 -0.992 17.1-147.9-139.2 120.4 3.0 -18.1 -38.3 76 40 B A E +GH 63 88B 1 12,-0.5 12,-3.3 -2,-0.4 2,-0.3 -0.627 27.2 169.9 -83.2 149.6 4.2 -21.6 -38.5 77 41 B W E -GH 62 87B 9 -15,-2.8 -15,-2.2 10,-0.3 2,-0.3 -0.960 23.9-147.0-151.6 164.9 7.8 -22.1 -39.3 78 42 B Y E -GH 61 86B 26 8,-2.6 8,-3.4 -2,-0.3 2,-0.3 -0.944 16.0-176.1-131.4 160.2 10.5 -24.6 -39.4 79 43 B E E -GH 60 85B 34 -19,-2.9 -19,-3.3 -2,-0.3 2,-0.6 -0.958 26.4-162.8-156.5 136.5 14.1 -24.3 -38.7 80 44 B W E > -G 59 0B 2 4,-0.5 3,-2.3 -2,-0.3 53,-0.4 -0.844 54.4-116.2-112.9 86.7 17.0 -26.4 -38.8 81 45 B Y E 3 S+G 58 0B 103 -23,-2.2 -23,-1.7 -2,-0.6 3,-0.1 -0.363 98.9 38.5 -57.8 139.9 19.1 -24.2 -36.6 82 46 B P T 3 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.967 109.3 78.1 -88.3 8.6 21.6 -22.7 -37.2 83 47 B D S < S- 0 0 39 -3,-2.3 3,-0.1 1,-0.1 49,-0.0 -0.335 99.9 -86.2 -64.0 159.3 19.9 -22.1 -40.5 84 48 B Y - 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