==== 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 TOXIN 10-APR-01 1IEN . COMPND 2 MOLECULE: PROTEIN TIA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR I.A.SHARPE,J.GEHRMANN,M.L.LOUGHNAN,L.THOMAS,D.A.ADAMS, . 19 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 63.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 26.3 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+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 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 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 F > 0 0 114 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -77.2 -7.6 -4.0 17.9 2 2 A N T > - 0 0 88 1,-0.3 3,-0.6 2,-0.2 4,-0.2 -0.144 360.0 -33.1 51.5-146.0 -6.5 -6.3 15.1 3 3 A W T 3> S+ 0 0 168 1,-0.2 4,-1.1 2,-0.1 -1,-0.3 0.284 113.0 104.7 -86.8 7.1 -5.3 -4.5 12.0 4 4 A R H X> S+ 0 0 149 -3,-1.9 4,-1.6 1,-0.2 3,-0.6 0.890 77.6 57.2 -54.6 -38.6 -7.7 -1.7 12.8 5 5 A a H <4 S+ 0 0 2 -3,-0.6 7,-0.9 -4,-0.5 6,-0.3 0.903 97.2 59.3 -57.5 -47.3 -4.7 0.2 14.0 6 6 A b H 34 S+ 0 0 29 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.806 108.0 47.2 -53.8 -32.0 -3.0 -0.2 10.6 7 7 A L H << S+ 0 0 142 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.826 99.2 77.3 -79.6 -34.9 -6.0 1.7 9.2 8 8 A I S X S- 0 0 83 -4,-1.6 4,-2.4 -3,-0.2 5,-0.2 -0.628 74.7-149.1 -79.6 135.9 -5.8 4.5 11.9 9 9 A P H > S+ 0 0 96 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.931 93.8 48.3 -77.7 -48.0 -3.0 6.9 11.1 10 10 A A H 4 S+ 0 0 71 1,-0.2 4,-0.3 2,-0.2 -5,-0.1 0.744 118.4 43.8 -64.2 -24.3 -2.0 7.9 14.6 11 11 A a H >> S+ 0 0 30 -6,-0.3 3,-1.0 2,-0.2 4,-0.9 0.899 112.9 46.9 -87.8 -47.5 -1.9 4.2 15.6 12 12 A R H 3< S+ 0 0 86 -4,-2.4 -2,-0.2 -7,-0.9 4,-0.2 0.674 101.0 70.2 -68.6 -15.4 -0.1 2.8 12.6 13 13 A R T 3< S+ 0 0 208 -4,-1.3 -1,-0.2 1,-0.2 3,-0.2 0.855 113.8 27.4 -67.5 -34.0 2.4 5.6 13.0 14 14 A N T <4 S+ 0 0 102 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.2 0.450 133.4 39.0-103.4 -7.7 3.5 3.8 16.2 15 15 A H >< + 0 0 72 -4,-0.9 3,-0.8 -10,-0.1 4,-0.4 -0.211 66.9 129.5-137.3 43.2 2.5 0.3 14.9 16 16 A K G > S+ 0 0 110 1,-0.2 3,-1.9 -3,-0.2 -3,-0.1 0.906 73.9 62.2 -62.7 -40.9 3.5 0.4 11.2 17 17 A K G 3 S+ 0 0 152 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.724 85.6 72.8 -56.9 -26.1 5.2 -2.9 11.9 18 18 A F G < 0 0 101 -3,-0.8 -1,-0.3 -6,-0.1 -2,-0.2 0.803 360.0 360.0 -60.3 -27.9 1.9 -4.5 12.8 19 19 A b < 0 0 70 -3,-1.9 -2,-0.2 -4,-0.4 -3,-0.1 0.382 360.0 360.0-136.2 360.0 1.2 -4.3 9.1