==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-DEC-11 3VA8 . COMPND 2 MOLECULE: PROBABLE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIBBERELLA ZEAE; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 427 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 19 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 2 0 0 2 1 1 1 0 4 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 0 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 PARALLEL BRIDGES PER LADDER . 4 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 0 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 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 -5 A N > 0 0 163 0, 0.0 4,-0.8 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -69.3 26.8 48.6 61.9 2 -4 A L H > + 0 0 147 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.710 360.0 53.2 -79.5 -23.4 29.1 48.6 58.8 3 -3 A Y H > S+ 0 0 159 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.907 107.9 48.9 -73.8 -45.5 27.1 45.6 57.6 4 -2 A F H > S+ 0 0 136 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.791 110.9 51.9 -63.8 -30.0 23.8 47.5 57.9 5 -1 A Q H X S+ 0 0 95 -4,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.892 110.2 44.7 -79.6 -41.2 25.2 50.6 56.1 6 0 A S H X S+ 0 0 41 -4,-1.5 4,-3.5 1,-0.2 5,-0.2 0.875 110.4 58.5 -65.5 -36.7 26.5 48.7 53.0 7 1 A M H X S+ 0 0 29 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.838 100.3 56.2 -60.3 -34.8 23.2 46.8 53.0 8 2 A S H < S+ 0 0 44 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.914 116.1 36.0 -62.6 -41.9 21.4 50.2 52.7 9 3 A Q H >< S+ 0 0 96 -4,-1.3 3,-1.3 1,-0.2 40,-0.4 0.861 112.6 57.6 -79.7 -37.5 23.4 51.0 49.5 10 4 A R H 3< S+ 0 0 62 -4,-3.5 40,-0.3 1,-0.2 -1,-0.2 0.671 106.5 52.7 -67.0 -13.7 23.5 47.4 48.2 11 5 A S T 3< S+ 0 0 4 -4,-0.8 68,-2.7 -5,-0.2 2,-0.3 0.464 80.9 111.4-103.6 -0.1 19.7 47.4 48.3 12 6 A I B < S-A 78 0A 47 -3,-1.3 2,-0.7 66,-0.3 37,-0.4 -0.575 71.9-120.7 -78.5 130.1 19.0 50.6 46.3 13 7 A I + 0 0 1 64,-3.3 63,-2.9 -2,-0.3 35,-0.2 -0.640 34.7 173.0 -68.1 111.4 17.4 50.1 42.8 14 8 A K - 0 0 106 33,-2.2 2,-0.3 -2,-0.7 34,-0.2 0.831 63.1 -3.3 -86.9 -37.2 19.8 51.6 40.3 15 9 A E E -B 47 0B 102 32,-1.9 32,-3.7 59,-0.0 2,-0.4 -0.993 52.5-151.6-158.2 150.8 18.1 50.6 37.1 16 10 A I E -B 46 0B 19 -2,-0.3 2,-0.5 30,-0.2 30,-0.2 -0.993 10.2-163.0-129.6 124.8 15.1 48.5 35.7 17 11 A V E -B 45 0B 47 28,-2.4 28,-2.1 -2,-0.4 2,-0.6 -0.935 2.0-165.0-108.3 121.4 15.1 46.8 32.3 18 12 A I E -B 44 0B 24 -2,-0.5 26,-0.2 26,-0.2 -2,-0.0 -0.926 11.7-177.3-103.7 120.3 11.8 45.7 30.8 19 13 A T E -B 43 0B 23 24,-2.5 24,-2.6 -2,-0.6 2,-0.2 -0.953 16.2-146.2-125.0 117.2 12.2 43.3 27.9 20 14 A P E -B 42 0B 20 0, 0.0 2,-0.3 0, 0.0 22,-0.2 -0.574 23.0-178.3 -78.5 147.1 9.3 41.9 25.8 21 15 A V E -B 41 0B 0 20,-2.5 20,-1.8 -2,-0.2 2,-0.3 -0.913 15.7-152.5-138.3 163.7 9.7 38.3 24.5 22 16 A A E -B 40 0B 0 374,-1.6 2,-0.3 -2,-0.3 18,-0.2 -0.997 11.2-176.2-137.9 140.7 7.7 35.9 22.4 23 17 A F E -B 39 0B 3 16,-1.8 16,-2.9 -2,-0.3 -2,-0.0 -0.973 38.1 -85.2-137.7 155.7 7.7 32.1 22.4 24 18 A H E -B 38 0B 42 -2,-0.3 334,-0.5 14,-0.2 2,-0.3 -0.262 45.1-174.0 -63.5 138.1 6.0 29.5 20.3 25 19 A D - 0 0 13 12,-2.1 332,-0.1 332,-0.1 -1,-0.0 -0.944 18.5-123.6-128.3 156.7 2.5 28.5 21.3 26 20 A M - 0 0 25 -2,-0.3 2,-2.6 330,-0.2 9,-0.2 -0.541 36.8 -93.4 -97.9 163.2 0.1 25.9 19.9 27 21 A P + 0 0 0 0, 0.0 131,-1.6 0, 0.0 2,-0.2 -0.331 57.5 172.1 -77.7 63.8 -3.4 26.4 18.5 28 22 A L B -D 157 0C 0 -2,-2.6 7,-2.5 129,-0.2 129,-0.3 -0.534 24.0-134.3 -74.6 137.3 -5.2 25.7 21.8 29 23 A L E +F 34 0D 8 127,-3.5 127,-0.3 -2,-0.2 2,-0.3 -0.605 32.3 155.2 -94.2 149.2 -8.9 26.4 21.8 30 24 A N E > -F 33 0D 6 3,-1.8 3,-1.1 -2,-0.2 169,-0.1 -0.908 57.4 -73.3-159.7-174.1 -10.9 28.2 24.4 31 25 A S T 3 S+ 0 0 0 167,-0.4 168,-0.1 -2,-0.3 3,-0.1 0.655 125.6 39.7 -67.2 -16.0 -14.1 30.2 24.9 32 26 A V T 3 S- 0 0 10 1,-0.1 2,-0.3 389,-0.0 -1,-0.3 0.405 123.4 -74.2-117.2 -1.3 -12.9 33.3 23.0 33 27 A G E < -F 30 0D 0 -3,-1.1 -3,-1.8 381,-0.1 2,-0.3 -0.959 65.8 -46.9 152.5-126.4 -11.0 31.9 20.1 34 28 A V E -F 29 0D 0 376,-1.6 -5,-0.2 -2,-0.3 380,-0.2 -0.996 53.9 -96.9-150.3 141.6 -7.7 30.1 19.6 35 29 A H - 0 0 5 -7,-2.5 4,-0.1 -2,-0.3 -10,-0.0 -0.320 39.5-122.6 -60.0 138.1 -4.1 30.8 20.7 36 30 A E - 0 0 22 2,-0.2 -8,-0.2 1,-0.1 -1,-0.1 -0.297 32.6 -97.5 -72.8 166.0 -1.8 32.7 18.3 37 31 A P S S+ 0 0 37 0, 0.0 -12,-2.1 0, 0.0 2,-0.4 0.600 108.6 45.6 -64.6 -14.2 1.5 31.1 17.1 38 32 A F E -B 24 0B 44 -14,-0.3 2,-0.4 365,-0.1 -2,-0.2 -0.997 68.6-150.5-132.8 140.6 3.3 33.2 19.7 39 33 A A E -B 23 0B 11 -16,-2.9 -16,-1.8 -2,-0.4 2,-0.3 -0.863 21.5-141.1-101.5 141.0 2.7 34.0 23.4 40 34 A L E +B 22 0B 21 -2,-0.4 19,-0.7 -18,-0.2 2,-0.3 -0.801 25.1 163.8-104.4 146.1 4.0 37.3 24.7 41 35 A R E -BC 21 58B 4 -20,-1.8 -20,-2.5 -2,-0.3 2,-0.4 -0.973 29.4-129.2-144.8 162.7 5.6 38.2 28.1 42 36 A S E -BC 20 57B 0 15,-2.1 15,-2.3 -2,-0.3 2,-0.5 -0.943 15.4-152.2-110.2 137.3 7.6 40.9 29.8 43 37 A I E -BC 19 56B 1 -24,-2.6 -24,-2.5 -2,-0.4 2,-0.5 -0.949 10.9-159.1-106.5 124.0 10.8 40.1 31.6 44 38 A I E -BC 18 55B 0 11,-2.6 11,-2.2 -2,-0.5 2,-0.5 -0.875 8.0-173.7-105.0 126.3 11.6 42.6 34.4 45 39 A E E -BC 17 54B 14 -28,-2.1 -28,-2.4 -2,-0.5 2,-0.5 -0.987 8.1-160.1-117.8 119.9 15.2 42.9 35.7 46 40 A I E -BC 16 53B 0 7,-2.9 7,-2.1 -2,-0.5 2,-0.5 -0.868 13.8-157.0 -93.5 128.9 15.8 45.1 38.7 47 41 A I E +BC 15 52B 40 -32,-3.7 -33,-2.2 -2,-0.5 -32,-1.9 -0.926 14.9 175.5-113.0 127.9 19.5 46.1 38.9 48 42 A T - 0 0 4 3,-2.7 -35,-0.1 -2,-0.5 -38,-0.1 -0.493 53.3 -73.2-109.7-171.5 21.3 47.2 42.1 49 43 A E S S- 0 0 106 -37,-0.4 -39,-0.1 -40,-0.4 -38,-0.1 0.883 124.0 -1.0 -47.9 -50.9 25.0 48.0 42.6 50 44 A D S S+ 0 0 92 -40,-0.3 2,-0.2 2,-0.0 -1,-0.2 0.246 128.2 38.7-133.1 10.9 26.2 44.5 42.5 51 45 A S - 0 0 27 -41,-0.1 -3,-2.7 2,-0.0 2,-0.3 -0.872 57.7-144.9-150.7-179.5 23.2 42.2 41.9 52 46 A Y E -C 47 0B 41 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.983 4.6-150.4-151.0 159.5 19.8 41.9 40.0 53 47 A G E -C 46 0B 0 -7,-2.1 -7,-2.9 -2,-0.3 2,-0.3 -0.948 15.0-138.1-131.8 155.6 16.4 40.4 40.6 54 48 A L E +C 45 0B 0 -2,-0.3 2,-0.3 68,-0.2 72,-0.2 -0.862 21.6 166.0-118.1 142.4 13.8 39.0 38.1 55 49 A G E -C 44 0B 0 -11,-2.2 -11,-2.6 -2,-0.3 2,-0.3 -0.925 17.5-149.3-138.5 176.6 10.1 39.2 37.6 56 50 A E E +C 43 0B 3 -2,-0.3 2,-0.2 -13,-0.2 -13,-0.2 -0.999 23.1 150.4-150.0 138.2 7.8 38.3 34.7 57 51 A S E -C 42 0B 0 -15,-2.3 -15,-2.1 -2,-0.3 275,-0.1 -0.721 47.0 -38.3-150.8-161.7 4.5 39.7 33.5 58 52 A Y E -C 41 0B 4 -17,-0.3 -17,-0.3 -2,-0.2 -1,-0.1 -0.284 38.6-146.5 -75.9 159.0 2.3 40.2 30.5 59 53 A G + 0 0 2 -19,-0.7 -18,-0.2 43,-0.2 -1,-0.1 0.384 52.4 121.2-109.1 4.4 3.7 41.2 27.1 60 54 A D > - 0 0 14 -20,-0.2 4,-2.3 1,-0.1 347,-0.2 -0.286 68.8-118.1 -72.6 157.1 1.0 43.5 25.5 61 55 A S H > S+ 0 0 46 345,-1.9 4,-2.0 1,-0.2 5,-0.2 0.833 111.7 53.8 -67.6 -38.0 2.0 47.0 24.6 62 56 A A H > S+ 0 0 48 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 112.3 46.5 -63.5 -39.8 -0.4 48.8 26.9 63 57 A H H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.924 109.5 52.6 -67.5 -44.2 1.0 46.8 29.8 64 58 A L H X S+ 0 0 22 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.890 108.6 51.4 -58.7 -41.2 4.7 47.4 28.8 65 59 A D H X S+ 0 0 103 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.893 110.9 48.9 -63.0 -39.7 4.0 51.2 28.7 66 60 A R H X S+ 0 0 30 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.918 110.8 49.6 -65.7 -43.2 2.5 50.9 32.2 67 61 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.912 110.8 50.2 -61.1 -41.6 5.5 49.0 33.5 68 62 A Q H X S+ 0 0 80 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.904 109.7 50.2 -66.9 -40.7 8.0 51.5 32.0 69 63 A K H X S+ 0 0 101 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.877 113.9 44.5 -63.8 -40.7 6.2 54.4 33.5 70 64 A A H >X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 3,-0.9 0.929 109.8 56.5 -69.7 -45.0 6.1 52.8 37.0 71 65 A A H >X S+ 0 0 5 -4,-3.1 4,-1.3 1,-0.3 3,-0.5 0.858 99.8 58.7 -54.8 -38.8 9.7 51.7 36.6 72 66 A D H 3< S+ 0 0 101 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.857 111.0 43.2 -59.7 -33.8 10.8 55.4 36.0 73 67 A K H << S+ 0 0 78 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.643 108.1 58.4 -85.1 -16.9 9.3 56.3 39.4 74 68 A I H X< S+ 0 0 0 -4,-1.1 3,-2.1 -3,-0.5 -61,-0.2 0.765 76.7 108.4 -89.3 -23.8 10.7 53.3 41.3 75 69 A K T 3< S+ 0 0 122 -4,-1.3 -61,-0.2 1,-0.3 3,-0.1 -0.174 76.5 32.6 -58.5 138.3 14.3 53.8 40.7 76 70 A G T 3 S+ 0 0 44 -63,-2.9 -1,-0.3 1,-0.4 2,-0.1 0.043 93.6 115.1 100.5 -25.3 16.2 55.0 43.8 77 71 A L S < S- 0 0 27 -3,-2.1 -64,-3.3 -65,-0.1 -1,-0.4 -0.414 71.9-107.8 -75.5 153.6 14.1 53.0 46.2 78 72 A S B > -A 12 0A 20 -66,-0.3 3,-1.8 1,-0.1 -66,-0.3 -0.539 24.1-122.5 -68.4 144.8 15.3 50.2 48.3 79 73 A V T 3 S+ 0 0 0 -68,-2.7 49,-0.2 1,-0.3 3,-0.2 0.633 114.4 60.8 -63.2 -10.9 14.2 46.7 47.3 80 74 A Y T 3 S+ 0 0 107 -69,-0.2 2,-1.6 1,-0.2 3,-0.3 0.623 80.8 87.8 -86.8 -12.8 12.7 46.5 50.8 81 75 A S <> + 0 0 43 -3,-1.8 4,-2.9 1,-0.2 3,-0.4 -0.219 42.9 144.5 -89.5 51.9 10.4 49.4 50.2 82 76 A T H > + 0 0 34 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.814 67.4 58.5 -61.7 -34.4 7.5 47.5 48.8 83 77 A N H > S+ 0 0 135 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.925 112.5 39.1 -56.2 -49.3 5.0 49.8 50.4 84 78 A V H > S+ 0 0 47 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.920 112.6 56.7 -75.7 -36.2 6.4 52.9 48.7 85 79 A I H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.925 106.9 49.9 -54.6 -44.6 6.9 50.9 45.4 86 80 A Y H X S+ 0 0 64 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.936 109.4 52.0 -61.9 -44.3 3.3 50.1 45.4 87 81 A Q H X S+ 0 0 105 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.902 107.5 51.6 -54.5 -47.5 2.4 53.8 46.0 88 82 A R H X S+ 0 0 74 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.888 108.2 52.4 -58.9 -38.9 4.6 54.8 43.0 89 83 A C H X S+ 0 0 0 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.929 111.7 45.6 -63.3 -45.0 2.7 52.2 40.8 90 84 A V H >< S+ 0 0 45 -4,-2.2 3,-1.3 1,-0.2 4,-0.4 0.949 113.0 50.5 -61.7 -49.5 -0.6 53.7 41.9 91 85 A E H >< S+ 0 0 69 -4,-3.2 3,-2.0 1,-0.3 4,-0.3 0.912 105.0 58.0 -52.2 -45.6 0.7 57.2 41.3 92 86 A S H 3< S+ 0 0 15 -4,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.686 105.0 50.1 -63.4 -20.8 1.9 56.3 37.8 93 87 A L T X< S+ 0 0 25 -3,-1.3 3,-2.1 -4,-0.7 -1,-0.3 0.418 76.8 111.4 -96.1 -2.0 -1.6 55.2 36.8 94 88 A R T < S+ 0 0 168 -3,-2.0 2,-0.2 -4,-0.4 -1,-0.2 0.849 88.3 31.1 -35.2 -55.1 -3.1 58.5 38.0 95 89 A N T 3 S+ 0 0 152 -4,-0.3 2,-0.6 -3,-0.3 -1,-0.3 -0.300 92.5 116.4-107.0 47.9 -3.8 59.6 34.4 96 90 A D < + 0 0 35 -3,-2.1 -1,-0.1 -2,-0.2 -3,-0.0 -0.837 5.7 135.7-121.7 94.0 -4.4 56.2 32.9 97 91 A T 0 0 139 -2,-0.6 -1,-0.2 1,-0.1 -2,-0.0 0.769 360.0 360.0 -92.3 -40.6 -7.9 55.6 31.6 98 92 A N 0 0 128 -3,-0.2 -1,-0.1 -36,-0.0 -2,-0.1 0.525 360.0 360.0 -6.8 360.0 -6.1 54.1 28.6 99 ! 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 0.0 100 95 A G 0 0 91 0, 0.0 -40,-0.0 0, 0.0 -37,-0.0 0.000 360.0 360.0 360.0 143.6 -7.2 45.0 27.4 101 96 A D - 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