==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 26-OCT-11 2LL5 . COMPND 2 MOLECULE: CYCLO-TC1; . SOURCE 2 SYNTHETIC: YES . AUTHOR J.C.LIN,M.SCIAN,N.H.ANDERSEN . 22 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 59.1 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 . 1 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 4.5 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 1 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 G > 0 0 55 0, 0.0 3,-1.0 0, 0.0 21,-0.3 0.000 360.0 360.0 360.0 170.4 24.9 -9.1 1.2 2 1 A D T >> + 0 0 143 1,-0.2 4,-1.0 20,-0.2 3,-0.7 0.523 360.0 91.1 -73.9 -5.3 22.8 -6.1 2.2 3 2 A A H 3> S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.824 77.0 63.1 -59.2 -32.4 26.0 -4.3 3.2 4 3 A Y H <> S+ 0 0 108 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.875 96.0 58.0 -60.8 -38.5 26.2 -2.9 -0.4 5 4 A A H <> S+ 0 0 67 -3,-0.7 4,-1.3 -4,-0.3 -1,-0.2 0.892 112.0 40.9 -58.8 -40.4 22.9 -1.0 0.2 6 5 A Q H X S+ 0 0 143 -4,-1.0 4,-1.3 -3,-0.2 -1,-0.2 0.841 109.4 60.2 -75.8 -35.2 24.5 0.8 3.2 7 6 A W H <>S+ 0 0 25 -4,-2.3 5,-1.2 1,-0.2 3,-0.4 0.915 108.3 43.8 -58.6 -45.3 27.8 1.2 1.3 8 7 A L H ><5S+ 0 0 89 -4,-2.4 3,-1.7 1,-0.2 4,-0.3 0.873 108.1 59.1 -67.8 -37.7 26.1 3.3 -1.4 9 8 A A H 3<5S+ 0 0 87 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 98.5 60.3 -62.2 -26.3 24.1 5.2 1.3 10 9 A D T 3<5S- 0 0 88 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.171 136.8 -84.1 -87.4 18.1 27.5 6.3 2.7 11 10 A G T X 5 - 0 0 41 -3,-1.7 3,-1.8 3,-0.1 -3,-0.2 0.671 58.3-113.9 89.1 18.9 28.4 8.0 -0.6 12 11 A G G > S+ 0 0 104 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.807 125.8 69.0 -49.2 -33.9 33.5 5.2 -2.9 14 13 A S G < S+ 0 0 110 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.821 83.6 71.6 -55.9 -34.1 33.5 8.5 -1.0 15 14 A S G < S- 0 0 28 -3,-2.1 -1,-0.3 -8,-0.2 -3,-0.1 0.845 106.7-124.6 -51.6 -38.1 32.8 6.6 2.2 16 15 A G S < S+ 0 0 69 -3,-1.4 -2,-0.1 -4,-0.4 -1,-0.1 0.734 71.3 105.2 96.4 27.4 36.4 5.3 2.1 17 16 A R S S- 0 0 149 -5,-0.4 -1,-0.4 -4,-0.2 -2,-0.1 -0.949 74.7 -95.3-137.3 157.0 35.6 1.6 2.3 18 17 A P - 0 0 108 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.485 47.4-102.5 -73.3 138.6 35.7 -1.4 -0.2 19 18 A P - 0 0 71 0, 0.0 -15,-0.1 0, 0.0 -16,-0.0 -0.457 43.4-112.2 -64.8 117.9 32.3 -2.4 -1.8 20 19 A P - 0 0 41 0, 0.0 2,-0.7 0, 0.0 -3,-0.0 -0.073 19.5-137.1 -48.9 146.7 30.9 -5.5 -0.1 21 20 A S 0 0 127 1,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.768 360.0 360.0-113.0 84.8 30.7 -8.7 -2.1 22 21 A G 0 0 77 -2,-0.7 -1,-0.3 -21,-0.3 -20,-0.2 0.608 360.0 360.0 97.1 360.0 27.4 -10.3 -1.4