==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 21-AUG-09 2WQG . COMPND 2 MOLECULE: PROTEIN THO1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.A.DODSON,N.FERGUSON,T.J.RUTHERFORD,C.M.JOHNSON,A.R.FERSHT . 51 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 2 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.9 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 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 126 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.5 -4.5 -13.1 -3.4 2 2 A S + 0 0 132 34,-0.1 2,-0.3 2,-0.0 34,-0.0 0.777 360.0 63.1 -85.7 -30.0 -4.7 -10.5 -6.1 3 3 A A + 0 0 15 1,-0.1 3,-0.0 33,-0.1 29,-0.0 -0.727 46.9 169.9 -99.2 147.7 -2.2 -8.2 -4.4 4 4 A D >> + 0 0 107 -2,-0.3 3,-2.5 1,-0.0 4,-0.8 -0.123 25.3 140.5-145.9 38.0 1.4 -8.9 -3.7 5 5 A Y T 34 + 0 0 18 1,-0.3 3,-0.1 2,-0.2 8,-0.1 0.764 60.0 83.3 -55.0 -25.5 2.8 -5.6 -2.6 6 6 A S T 34 S+ 0 0 81 1,-0.3 -1,-0.3 26,-0.1 23,-0.1 0.758 100.4 36.7 -51.0 -24.6 4.8 -7.5 -0.1 7 7 A S T <4 S+ 0 0 95 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.687 105.0 87.3 -99.5 -25.5 7.2 -8.1 -2.9 8 8 A L S < S- 0 0 59 -4,-0.8 2,-0.3 -3,-0.1 24,-0.0 0.278 87.3 -87.5 -57.1-166.1 6.8 -4.7 -4.5 9 9 A T > - 0 0 41 1,-0.1 4,-3.2 19,-0.0 5,-0.2 -0.798 21.7-120.4-112.5 155.2 8.9 -1.7 -3.4 10 10 A V H > S+ 0 0 66 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.813 115.4 53.3 -59.6 -31.2 8.3 0.9 -0.6 11 11 A V H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 113.9 39.2 -71.5 -43.5 8.3 3.6 -3.3 12 12 A Q H > S+ 0 0 109 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.876 115.8 53.5 -73.4 -38.8 5.7 1.9 -5.5 13 13 A L H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.957 116.4 36.0 -61.1 -54.0 3.7 0.8 -2.4 14 14 A K H X S+ 0 0 92 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.824 116.3 56.4 -70.7 -30.7 3.4 4.3 -0.9 15 15 A D H X S+ 0 0 98 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.966 113.6 38.0 -65.2 -51.4 3.2 5.9 -4.3 16 16 A L H X S+ 0 0 28 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.836 112.1 63.7 -66.6 -31.7 0.1 3.9 -5.3 17 17 A L H >X>S+ 0 0 0 -4,-1.8 5,-1.1 -5,-0.3 3,-1.0 0.966 106.5 39.2 -56.8 -56.8 -1.0 4.2 -1.7 18 18 A T H ><5S+ 0 0 86 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.843 109.3 65.2 -62.7 -30.2 -1.4 8.0 -1.8 19 19 A K H 3<5S+ 0 0 155 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.853 104.1 44.3 -59.4 -34.7 -2.8 7.3 -5.3 20 20 A R H <<5S- 0 0 83 -4,-1.6 -1,-0.3 -3,-1.0 -2,-0.2 0.601 114.7-120.8 -84.0 -13.3 -5.7 5.5 -3.7 21 21 A N T <<5S+ 0 0 143 -4,-0.8 -3,-0.2 -3,-0.7 -2,-0.1 0.309 85.8 110.1 88.2 -5.1 -6.0 8.3 -1.1 22 22 A L S - 0 0 97 1,-0.2 4,-3.2 -17,-0.0 5,-0.2 -0.889 37.9 -83.9 169.0 163.9 5.0 0.8 6.5 28 28 A K H > S+ 0 0 65 -2,-0.2 4,-3.2 2,-0.2 5,-0.3 0.948 127.3 44.3 -50.3 -58.3 5.6 -1.6 3.6 29 29 A N H > S+ 0 0 107 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.920 119.6 43.1 -53.9 -45.3 4.0 -4.6 5.4 30 30 A E H > S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.800 111.4 57.1 -70.5 -28.4 1.2 -2.4 6.6 31 31 A W H X S+ 0 0 22 -4,-3.2 4,-3.2 2,-0.2 5,-0.2 0.951 108.0 44.6 -67.6 -49.0 1.1 -0.9 3.1 32 32 A V H X S+ 0 0 8 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.874 115.5 50.8 -62.1 -35.8 0.5 -4.2 1.4 33 33 A Q H X S+ 0 0 123 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.952 114.2 41.0 -66.3 -51.0 -2.0 -4.9 4.1 34 34 A R H X S+ 0 0 56 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.892 118.1 48.8 -64.9 -39.4 -3.9 -1.7 3.7 35 35 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.961 110.1 49.6 -64.3 -51.7 -3.6 -2.0 -0.1 36 36 A I H X S+ 0 0 42 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.871 113.7 47.8 -55.0 -37.0 -4.8 -5.6 -0.1 37 37 A K H X S+ 0 0 154 -4,-2.0 4,-1.0 2,-0.2 -1,-0.3 0.824 110.0 53.7 -72.5 -31.8 -7.7 -4.4 2.0 38 38 A D H < S+ 0 0 20 -4,-1.8 3,-0.3 2,-0.2 -2,-0.2 0.934 113.8 39.5 -67.6 -47.7 -8.2 -1.5 -0.4 39 39 A D H ><>S+ 0 0 67 -4,-3.0 3,-1.0 1,-0.2 5,-0.6 0.790 113.5 56.6 -72.2 -28.5 -8.5 -3.8 -3.5 40 40 A E H ><5S+ 0 0 129 -4,-1.7 3,-1.5 -5,-0.3 -1,-0.2 0.722 82.9 84.4 -75.1 -21.7 -10.5 -6.3 -1.5 41 41 A E T 3<5S+ 0 0 108 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.695 97.8 41.9 -53.8 -17.9 -13.0 -3.6 -0.6 42 42 A S T X>5S- 0 0 28 -3,-1.0 3,-2.0 -4,-0.2 4,-1.7 0.564 94.5-146.6-104.5 -14.0 -14.5 -4.6 -4.0 43 43 A K T <45 - 0 0 186 -3,-1.5 -3,-0.1 1,-0.3 -2,-0.1 0.792 69.6 -63.4 51.4 29.5 -14.1 -8.3 -3.6 44 44 A G T 34