==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-04 1Y43 . COMPND 2 MOLECULE: ASPERGILLOPEPSIN II LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS NIGER VAR. MACROSPORUS; . AUTHOR H.SASAKI,A.NAKAGAWA,S.IWATA,T.MURAMATSU,M.SUGANUMA,Y.SAWANO, . 203 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 50.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 17 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 1 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 . 1 2 3 1 2 1 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 0 1 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 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 E 0 0 133 0, 0.0 2,-0.4 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 170.9 28.0 24.9 32.4 2 2 A E E -a 180 0A 118 177,-2.3 179,-2.3 2,-0.0 2,-0.3 -0.955 360.0-143.4-124.3 134.5 24.4 26.2 31.9 3 3 A Y E +a 181 0A 105 -2,-0.4 2,-0.3 177,-0.2 179,-0.2 -0.753 22.6 168.3 -99.8 150.6 21.8 24.3 29.9 4 4 A S E -a 182 0A 30 177,-1.9 179,-2.2 -2,-0.3 -2,-0.0 -0.924 41.1-120.5-149.0 165.8 19.2 25.9 27.7 5 5 A S S S+ 0 0 72 -2,-0.3 177,-0.1 177,-0.2 3,-0.1 0.714 106.4 19.1 -82.0 -23.1 16.8 24.5 25.1 6 6 A N S S+ 0 0 49 1,-0.1 136,-2.1 175,-0.1 2,-0.4 0.648 107.6 67.9-126.2 -19.8 18.1 26.7 22.3 7 7 A W E +B 141 0A 24 134,-0.2 2,-0.4 174,-0.2 134,-0.2 -0.905 40.5 171.5-113.9 137.9 21.6 28.2 22.8 8 8 A A E +B 140 0A 0 132,-1.8 132,-2.5 -2,-0.4 2,-0.3 -0.974 46.4 56.2-133.8 143.0 25.0 26.5 23.0 9 9 A G E S-BC 139 180A 0 171,-2.7 171,-2.7 -2,-0.4 2,-0.4 -0.975 85.4 -40.8 142.2-149.2 28.2 28.5 23.1 10 10 A A E -BC 138 179A 0 128,-2.1 128,-2.0 -2,-0.3 2,-0.4 -0.981 39.7-170.8-129.6 132.5 29.9 31.3 25.2 11 11 A V E -BC 137 178A 0 167,-2.4 167,-3.1 -2,-0.4 2,-0.4 -0.981 10.4-152.8-126.3 122.1 28.3 34.4 26.8 12 12 A L E -B 136 0A 13 124,-3.3 124,-1.5 -2,-0.4 2,-0.5 -0.797 10.7-158.8 -90.1 133.1 30.2 37.2 28.4 13 13 A I E +B 135 0A 88 -2,-0.4 2,-0.2 122,-0.2 122,-0.2 -0.977 45.9 87.3-115.2 121.0 28.3 39.1 31.1 14 14 A G - 0 0 23 120,-2.4 2,-0.3 -2,-0.5 3,-0.0 -0.753 69.1 -68.3-171.0-135.6 29.5 42.6 31.9 15 15 A D S S+ 0 0 122 -2,-0.2 119,-0.2 1,-0.1 118,-0.1 -0.985 89.2 24.9-147.5 152.5 29.0 46.2 30.6 16 16 A G + 0 0 28 116,-0.4 152,-1.0 -2,-0.3 2,-0.4 0.606 60.9 167.0 74.1 17.7 29.8 48.4 27.7 17 17 A Y E +I 167 0B 18 116,-2.0 150,-0.2 150,-0.2 -1,-0.2 -0.505 6.0 159.3 -68.2 121.4 30.1 45.8 24.9 18 18 A T E + 0 0 50 148,-2.5 82,-2.6 -2,-0.4 2,-0.3 0.420 61.3 31.8-120.9 -3.9 30.0 47.7 21.5 19 19 A K E +IJ 166 99B 73 147,-1.0 147,-2.6 80,-0.2 2,-0.4 -0.974 53.5 178.5-155.9 136.3 31.6 45.1 19.2 20 20 A V E +IJ 165 98B 0 78,-2.1 78,-2.2 -2,-0.3 2,-0.3 -0.988 13.2 171.5-138.8 133.3 31.7 41.3 19.0 21 21 A T E +IJ 164 97B 10 143,-2.4 143,-1.6 -2,-0.4 2,-0.3 -0.960 6.0 166.6-141.9 157.0 33.4 39.4 16.2 22 22 A G E - J 0 96B 1 74,-1.8 74,-2.6 -2,-0.3 2,-0.4 -0.964 21.6-140.5-163.7 158.4 34.3 35.8 15.4 23 23 A E E +IJ 161 95B 52 138,-2.3 138,-3.2 -2,-0.3 2,-0.3 -0.976 26.9 164.2-128.4 134.1 35.6 33.7 12.5 24 24 A F E - J 0 94B 3 70,-2.4 70,-3.1 -2,-0.4 2,-0.4 -0.983 35.7-116.0-146.4 161.3 34.4 30.1 11.7 25 25 A T E - J 0 93B 76 134,-0.4 68,-0.2 -2,-0.3 134,-0.2 -0.830 41.3-108.0 -98.2 134.4 34.4 27.6 8.9 26 26 A V - 0 0 0 66,-2.7 65,-2.5 -2,-0.4 132,-0.0 -0.475 45.0-131.9 -62.9 120.6 31.0 26.6 7.5 27 27 A P - 0 0 10 0, 0.0 2,-0.5 0, 0.0 129,-0.1 -0.205 8.5-110.4 -76.9 164.8 30.3 23.1 8.7 28 28 A S - 0 0 81 127,-0.3 2,-0.4 129,-0.2 129,-0.1 -0.815 41.0-155.1 -90.6 124.9 29.2 19.9 7.0 29 29 A V + 0 0 9 -2,-0.5 2,-0.2 32,-0.1 126,-0.2 -0.843 20.5 164.4-112.2 146.2 25.6 19.1 8.2 30 30 A S B -N 154 0C 53 124,-2.2 124,-2.4 -2,-0.4 32,-0.1 -0.801 48.9 -55.3-140.3 179.7 23.7 15.8 8.4 31 31 A A 0 0 45 -2,-0.2 122,-0.1 122,-0.2 -1,-0.1 -0.336 360.0 360.0 -63.2 140.9 20.5 14.5 10.1 32 32 A G 0 0 48 121,-0.0 121,-0.1 -3,-0.0 -1,-0.1 -0.353 360.0 360.0 -83.7 360.0 20.4 14.9 13.8 33 !* 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 34 3 B E 0 0 163 0, 0.0 30,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.9 12.6 15.8 7.4 35 4 B E E -D 63 0A 84 28,-0.1 116,-0.5 29,-0.0 2,-0.4 -0.901 360.0-165.0-109.7 135.6 14.8 18.9 7.5 36 5 B Y E +De 62 151A 43 26,-2.6 26,-2.9 -2,-0.4 2,-0.3 -0.951 13.9 170.9-118.3 137.4 17.4 19.6 10.1 37 6 B a E -De 61 152A 5 114,-2.9 116,-1.8 -2,-0.4 2,-0.3 -0.898 14.8-179.9-140.1 170.6 19.1 23.0 10.7 38 7 B A E -D 60 0A 0 22,-1.6 22,-2.6 -2,-0.3 2,-0.3 -0.934 15.2-146.2-159.8 162.1 21.3 24.9 13.1 39 8 B S E -DF 59 141A 2 102,-1.4 102,-2.2 -2,-0.3 2,-0.4 -0.976 2.7-157.8-136.9 154.7 22.7 28.5 13.1 40 9 B A E +DF 58 140A 0 18,-2.2 18,-2.3 -2,-0.3 2,-0.3 -1.000 28.7 149.8-132.1 132.1 25.9 30.1 14.2 41 10 B W E -DF 57 139A 0 98,-2.7 98,-2.8 -2,-0.4 2,-0.3 -0.964 37.4-133.1-155.4 165.5 26.1 33.8 15.1 42 11 B V E +DF 56 138A 0 14,-1.9 14,-1.7 -2,-0.3 2,-0.3 -0.925 38.1 156.9-119.5 150.7 27.7 36.5 17.2 43 12 B G E -DF 55 137A 0 94,-2.0 94,-2.5 -2,-0.3 2,-0.4 -0.989 40.6-114.8-165.9 170.5 25.7 39.1 19.0 44 13 B I E S-DF 54 136A 0 10,-2.1 10,-1.9 -2,-0.3 92,-0.2 -0.979 76.3 -14.6-116.6 129.6 25.2 41.6 21.7 45 14 B D + 0 0 0 90,-2.1 8,-0.1 -2,-0.4 5,-0.1 0.017 67.1 117.3 71.6-180.0 22.5 41.1 24.4 46 15 B G S S+ 0 0 21 3,-1.5 7,-0.1 6,-0.3 -1,-0.1 0.204 73.0 68.7 107.6 -16.5 19.7 38.6 24.7 47 16 B D S S- 0 0 46 0, 0.0 3,-0.1 0, 0.0 -34,-0.1 0.878 123.3 -0.2 -98.1 -64.8 20.7 36.6 27.8 48 17 B T S S+ 0 0 72 1,-0.1 2,-0.6 2,-0.0 -35,-0.0 0.438 128.7 68.7-101.4 -7.3 20.5 39.0 30.8 49 18 B b - 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