==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-01 1IBQ . COMPND 2 MOLECULE: ASPERGILLOPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS PHOENICIS; . AUTHOR S.W.CHO,W.SHIN . 650 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 114 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 5 3 0 0 2 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 . 3 1 7 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 . 10 8 7 9 6 4 0 0 0 0 2 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 4 0 4 0 0 0 2 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 S 0 0 68 0, 0.0 147,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.3 -40.1 3.1 -1.2 2 2 A K + 0 0 114 145,-0.2 2,-0.3 146,-0.1 165,-0.2 -0.945 360.0 179.3-147.8 164.9 -36.3 2.6 -0.7 3 3 A G E -A 166 0A 8 163,-1.8 163,-3.5 -2,-0.3 2,-0.4 -0.987 16.3-151.4-167.8 156.7 -33.7 3.4 2.0 4 4 A S E -A 165 0A 60 88,-0.7 2,-0.3 -2,-0.3 161,-0.2 -1.000 12.4-170.7-137.4 137.6 -30.1 3.2 3.0 5 5 A A E -A 164 0A 10 159,-1.7 159,-2.1 -2,-0.4 2,-0.3 -0.952 23.3-117.3-128.4 147.0 -28.6 3.1 6.5 6 6 A V E -A 163 0A 79 -2,-0.3 2,-0.5 157,-0.2 157,-0.2 -0.638 21.7-159.1 -88.7 142.0 -24.9 3.3 7.7 7 7 A T E -A 162 0A 0 155,-0.8 155,-3.3 -2,-0.3 150,-0.3 -0.976 3.1-164.8-122.7 125.1 -23.1 0.5 9.4 8 8 A T E -F 17 0B 67 9,-1.9 9,-2.2 -2,-0.5 2,-0.1 -0.931 17.3-129.8-113.0 130.6 -20.0 1.0 11.6 9 9 A P E -F 16 0B 22 0, 0.0 2,-0.5 0, 0.0 7,-0.2 -0.380 18.9-117.9 -77.8 151.0 -17.8 -1.9 12.7 10 10 A Q > - 0 0 35 5,-0.9 4,-1.7 -2,-0.1 5,-0.3 -0.792 65.4 -51.8 -91.5 126.9 -16.6 -2.6 16.2 11 11 A N T 4 S+ 0 0 87 -2,-0.5 2,-0.6 1,-0.3 0, 0.0 -0.256 135.8 7.4 51.5-109.1 -12.9 -2.4 17.0 12 12 A N T 4 S- 0 0 79 -2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.384 121.7 -81.5 -99.5 53.3 -11.4 -4.7 14.4 13 13 A D T 4 S+ 0 0 3 -2,-0.6 -2,-0.2 2,-0.1 3,-0.2 0.961 85.1 141.9 50.2 60.3 -14.6 -5.3 12.4 14 14 A E S < S+ 0 0 52 -4,-1.7 2,-0.2 1,-0.3 204,-0.2 0.626 73.6 5.9-103.8 -17.8 -15.9 -8.0 14.7 15 15 A E - 0 0 25 -5,-0.3 -5,-0.9 202,-0.1 2,-0.6 -0.797 69.4-141.9-166.6 116.8 -19.5 -6.9 14.6 16 16 A Y E -F 9 0B 5 199,-0.3 15,-0.8 -2,-0.2 2,-0.3 -0.764 19.2-160.0 -90.3 122.8 -21.2 -4.2 12.5 17 17 A L E -FG 8 30B 7 -9,-2.2 -9,-1.9 -2,-0.6 13,-0.2 -0.720 5.6-167.7-101.4 149.9 -23.9 -2.2 14.2 18 18 A T E - G 0 29B 0 11,-2.8 11,-2.4 -2,-0.3 -11,-0.2 -0.995 27.3-112.6-138.3 131.0 -26.6 -0.1 12.4 19 19 A P E + G 0 28B 60 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.436 40.3 174.7 -65.1 137.3 -29.0 2.4 13.9 20 20 A V E - G 0 27B 1 7,-2.9 7,-2.9 71,-0.1 2,-0.8 -0.981 29.4-132.5-144.4 128.2 -32.6 1.2 13.8 21 21 A T E +HG 90 26B 46 69,-2.7 69,-2.5 -2,-0.3 2,-0.6 -0.761 27.1 179.4 -87.1 112.7 -35.7 2.9 15.2 22 22 A V E > -HG 89 25B 0 3,-1.9 3,-1.0 -2,-0.8 35,-0.5 -0.955 64.3 -37.8-111.8 114.7 -37.7 0.3 17.2 23 23 A G B 3 S-o 57 0C 9 65,-3.0 36,-0.1 -2,-0.6 67,-0.1 -0.590 119.8 -35.7 72.3-126.7 -40.8 1.8 18.8 24 24 A K T 3 S+ 0 0 129 33,-1.8 2,-0.3 -2,-0.4 -1,-0.2 0.618 124.0 83.3-102.0 -17.7 -39.9 5.3 20.0 25 25 A S E < S-G 22 0B 20 -3,-1.0 -3,-1.9 32,-0.7 2,-0.5 -0.626 74.7-131.1 -89.7 142.7 -36.3 4.5 21.0 26 26 A T E -G 21 0B 73 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.826 30.0-175.6 -94.5 126.6 -33.4 4.4 18.7 27 27 A L E -G 20 0B 1 -7,-2.9 -7,-2.9 -2,-0.5 2,-0.6 -0.748 27.5-128.2-118.6 166.2 -31.2 1.2 18.9 28 28 A H E -G 19 0B 71 88,-0.3 90,-2.2 -2,-0.3 91,-0.3 -0.901 37.2-173.6-117.5 97.3 -28.0 -0.0 17.4 29 29 A L E -G 18 0B 0 -11,-2.4 -11,-2.8 -2,-0.6 2,-0.7 -0.534 26.8-123.4 -98.9 159.1 -28.6 -3.5 15.9 30 30 A D E -Gi 17 120B 16 89,-2.0 91,-2.4 -13,-0.2 2,-0.6 -0.876 26.6-138.1 -98.8 113.0 -26.4 -6.1 14.4 31 31 A F E - i 0 121B 1 -15,-0.8 2,-0.6 -2,-0.7 91,-0.2 -0.603 24.0-175.5 -78.1 117.8 -27.6 -7.0 10.9 32 32 A D E > - i 0 122B 9 89,-2.5 91,-2.6 -2,-0.6 3,-1.1 -0.901 23.0-175.7-119.8 107.0 -27.4 -10.8 10.5 33 33 A T T 3 S+ 0 0 0 -2,-0.6 157,-0.6 1,-0.2 92,-0.1 0.379 86.2 67.5 -76.9 8.4 -28.2 -12.4 7.1 34 34 A G T 3 S+ 0 0 12 155,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.530 101.1 42.9-103.0 -11.2 -27.7 -15.7 8.9 35 35 A S < - 0 0 8 -3,-1.1 89,-2.6 86,-0.1 88,-0.7 -0.832 61.6-147.4-132.1 168.6 -30.7 -15.5 11.3 36 36 A A + 0 0 3 92,-0.3 2,-0.4 -2,-0.3 93,-0.1 0.105 63.3 99.0-128.0 18.5 -34.4 -14.5 11.0 37 37 A D - 0 0 2 92,-0.1 85,-1.4 91,-0.1 2,-0.6 -0.847 53.5-154.3-108.2 147.8 -35.2 -13.1 14.5 38 38 A L E +J 121 0B 5 -2,-0.4 64,-3.0 83,-0.2 2,-0.4 -0.905 31.3 163.0-115.0 97.5 -35.4 -9.4 15.4 39 39 A W E -Jk 120 102B 0 81,-0.9 81,-2.0 -2,-0.6 2,-0.3 -0.924 12.9-178.5-122.7 149.3 -34.7 -9.2 19.1 40 40 A V E -Jk 119 103B 0 62,-1.9 64,-2.1 -2,-0.4 2,-0.3 -0.838 38.6 -83.8-133.1 167.5 -33.6 -6.3 21.4 41 41 A F E - k 0 104B 2 77,-1.3 15,-3.1 13,-0.3 2,-0.2 -0.607 49.1-156.7 -75.5 132.7 -32.8 -5.6 25.0 42 42 A S > - 0 0 4 62,-1.1 3,-1.6 -2,-0.3 15,-0.1 -0.695 30.4-110.1-112.9 164.6 -35.9 -5.0 27.1 43 43 A D T 3 S+ 0 0 93 13,-0.5 7,-0.1 1,-0.3 62,-0.1 0.672 108.5 77.3 -63.9 -15.5 -36.7 -3.3 30.4 44 44 A E T 3 S+ 0 0 75 60,-0.3 -1,-0.3 2,-0.1 61,-0.1 0.480 76.4 100.0 -76.3 -3.2 -37.2 -6.7 31.9 45 45 A L S < S- 0 0 9 -3,-1.6 2,-0.2 59,-0.2 5,-0.1 -0.345 87.9 -85.7 -84.0 162.6 -33.5 -7.4 32.2 46 46 A P >> - 0 0 51 0, 0.0 3,-3.0 0, 0.0 4,-1.8 -0.501 36.9-124.7 -65.8 134.2 -31.2 -7.1 35.2 47 47 A S H 3> S+ 0 0 71 1,-0.3 4,-2.1 2,-0.2 -2,-0.1 0.838 114.2 54.4 -47.6 -42.1 -30.0 -3.5 35.6 48 48 A S H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.597 109.8 48.7 -70.6 -11.4 -26.4 -4.8 35.6 49 49 A E H <4 S+ 0 0 44 -3,-3.0 -2,-0.2 1,-0.1 -1,-0.2 0.752 108.1 53.8 -92.7 -32.4 -27.3 -6.4 32.3 50 50 A Q H >< S+ 0 0 47 -4,-1.8 3,-1.4 -7,-0.1 -2,-0.2 0.861 83.0 108.3 -68.1 -41.5 -28.8 -3.2 30.9 51 51 A T T 3< S+ 0 0 19 -4,-2.1 3,-0.1 1,-0.3 559,-0.1 -0.050 82.0 21.8 -42.7 129.8 -25.7 -1.1 31.6 52 52 A G T 3 S+ 0 0 8 1,-0.2 64,-2.4 63,-0.1 2,-0.4 0.561 111.2 91.1 86.6 8.8 -23.8 -0.2 28.4 53 53 A H S < S- 0 0 20 -3,-1.4 2,-0.3 62,-0.2 -1,-0.2 -0.995 72.9-126.7-142.3 137.9 -26.9 -0.7 26.2 54 54 A D - 0 0 81 -2,-0.4 -13,-0.3 62,-0.3 2,-0.3 -0.640 37.0-144.2 -71.2 135.2 -29.8 1.3 24.8 55 55 A L - 0 0 55 -2,-0.3 2,-0.3 -15,-0.1 -13,-0.2 -0.798 16.5-100.8-108.8 153.6 -33.0 -0.6 25.7 56 56 A Y - 0 0 5 -15,-3.1 -13,-0.5 -2,-0.3 -33,-0.1 -0.503 31.6-166.4 -73.3 127.8 -36.2 -1.0 23.7 57 57 A T B -o 23 0C 55 -35,-0.5 -33,-1.8 -2,-0.3 -32,-0.7 -0.955 21.4-124.7-121.2 113.6 -39.2 1.3 24.6 58 58 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 29,-0.0 -0.038 22.4-116.8 -54.2 153.9 -42.6 0.4 23.2 59 59 A S - 0 0 28 1,-0.1 3,-0.2 -36,-0.1 -36,-0.0 -0.363 25.6-109.7 -81.9 168.4 -44.7 2.8 21.2 60 60 A S S S+ 0 0 127 1,-0.2 -1,-0.1 -2,-0.1 -37,-0.0 0.665 121.7 42.6 -72.7 -14.2 -48.1 4.1 22.3 61 61 A S S S+ 0 0 86 2,-0.0 -1,-0.2 27,-0.0 25,-0.0 0.532 88.1 116.1-108.2 -11.1 -49.6 2.1 19.5 62 62 A A - 0 0 23 -3,-0.2 2,-0.4 1,-0.1 25,-0.2 -0.065 52.6-148.5 -53.3 159.0 -47.5 -1.1 20.0 63 63 A T E -L 86 0B 90 23,-1.3 23,-2.7 2,-0.0 2,-0.4 -0.973 11.2-127.1-140.6 124.5 -49.4 -4.3 21.0 64 64 A K E -L 85 0B 93 -2,-0.4 2,-1.7 21,-0.2 21,-0.3 -0.507 20.8-131.4 -72.4 122.0 -48.0 -7.1 23.1 65 65 A L > - 0 0 28 19,-2.2 3,-1.3 -2,-0.4 19,-0.4 -0.577 29.2-149.5 -75.8 91.6 -48.4 -10.5 21.4 66 66 A S T 3 S+ 0 0 100 -2,-1.7 3,-0.1 1,-0.2 19,-0.0 -0.376 75.1 19.1 -63.6 138.2 -49.9 -12.4 24.3 67 67 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.154 99.5 114.3 88.6 -17.3 -49.1 -16.1 24.5 68 68 A Y < + 0 0 51 -3,-1.3 16,-0.4 16,-0.2 -1,-0.3 -0.542 37.0 170.5 -90.8 156.4 -46.1 -15.8 22.2 69 69 A S B -P 132 0D 62 63,-2.4 63,-2.7 -2,-0.2 2,-0.3 -0.955 15.3-151.9-155.3 163.4 -42.5 -16.4 23.1 70 70 A W E +M 82 0B 3 12,-1.5 12,-1.3 -2,-0.3 2,-0.3 -0.999 9.9 178.5-146.9 144.6 -39.1 -16.7 21.4 71 71 A D E +M 81 0B 99 59,-0.4 2,-0.3 -2,-0.3 10,-0.2 -0.964 9.1 173.4-150.3 129.5 -35.8 -18.5 22.1 72 72 A I E -M 80 0B 19 8,-2.7 8,-1.2 -2,-0.3 2,-0.3 -0.969 12.8-168.6-141.4 154.9 -32.6 -18.7 20.1 73 73 A S E -M 79 0B 78 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.982 13.4-159.1-138.3 148.2 -29.0 -19.9 20.3 74 74 A Y - 0 0 51 4,-2.0 4,-0.4 2,-0.5 -2,-0.0 -0.447 47.3 -52.6-120.3-167.8 -26.0 -19.3 18.1 75 75 A G S S+ 0 0 74 -2,-0.1 2,-0.2 2,-0.1 -2,-0.0 0.728 121.7 26.9 -32.4 -45.5 -22.6 -20.6 17.0 76 76 A D S S- 0 0 74 2,-0.1 2,-3.6 3,-0.0 -2,-0.5 -0.442 118.1 -63.5-111.6-172.4 -21.5 -20.9 20.7 77 77 A G S S+ 0 0 79 -2,-0.2 2,-0.6 -4,-0.1 33,-0.1 -0.204 88.1 135.0 -69.7 57.4 -23.3 -21.4 24.0 78 78 A S + 0 0 2 -2,-3.6 -4,-2.0 -4,-0.4 2,-0.2 -0.939 27.3 168.6-116.1 109.8 -25.0 -18.0 23.4 79 79 A S E +M 73 0B 39 -2,-0.6 29,-1.9 -6,-0.2 2,-0.2 -0.575 14.5 178.5-114.4 176.8 -28.8 -17.8 24.0 80 80 A A E +MN 72 107B 0 -8,-1.2 -8,-2.7 27,-0.2 2,-0.3 -0.834 8.8 164.1-174.9 138.6 -31.5 -15.2 24.4 81 81 A S E +MN 71 106B 23 25,-2.1 24,-2.0 -2,-0.2 25,-0.8 -0.896 12.5 116.6-151.0 179.2 -35.3 -15.4 25.0 82 82 A G E -MN 70 104B 12 -12,-1.3 -12,-1.5 22,-0.3 22,-0.2 -0.996 53.8 -38.5 152.6-157.4 -38.2 -13.3 26.0 83 83 A D E - 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