==== 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 3UC8 . COMPND 2 MOLECULE: CYCLO-TC1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.SCIAN,I.LE TRONG,R.E.STENKAMP,N.H.ANDERSEN . 66 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 54.5 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 . 12 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 3 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 21 0, 0.0 4,-1.7 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -44.0 10.9 -10.5 5.6 2 1 A D H > + 0 0 89 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.944 360.0 46.6 -63.5 -45.1 9.5 -7.6 3.7 3 2 A A H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 111.6 52.5 -63.5 -42.1 10.5 -8.9 0.3 4 3 A Y H > S+ 0 0 18 18,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.881 103.9 57.6 -62.0 -41.8 9.1 -12.3 1.1 5 4 A A H X S+ 0 0 11 -4,-1.7 4,-2.3 17,-0.2 -1,-0.2 0.907 108.1 46.0 -54.3 -46.8 5.8 -10.8 2.2 6 5 A Q H X S+ 0 0 117 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.892 109.6 54.1 -64.7 -40.5 5.4 -9.2 -1.3 7 6 A W H <>S+ 0 0 9 -4,-2.3 5,-2.6 2,-0.2 3,-0.2 0.922 110.1 47.5 -56.7 -45.7 6.3 -12.4 -3.0 8 7 A L H ><5S+ 0 0 52 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.909 108.7 54.2 -58.9 -47.6 3.6 -14.2 -1.0 9 8 A A H 3<5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 105.1 55.9 -56.2 -32.3 1.1 -11.5 -1.9 10 9 A D T 3<5S- 0 0 71 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.250 135.2 -85.6 -87.6 12.4 2.0 -12.1 -5.5 11 10 A G T X 5 - 0 0 39 -3,-2.2 3,-2.1 3,-0.1 -3,-0.2 0.457 51.3-126.4 98.6 8.1 1.1 -15.8 -5.3 12 11 A G G > S+ 0 0 69 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.756 126.5 65.4 -56.4 -24.4 5.5 -20.0 -6.2 14 13 A S G < S+ 0 0 113 -3,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.703 85.1 75.7 -67.1 -17.1 2.7 -19.2 -8.6 15 14 A S G < S- 0 0 24 -3,-2.5 -1,-0.2 2,-0.2 -3,-0.1 0.695 102.7-124.8 -70.7 -20.5 4.4 -15.8 -9.3 16 15 A G S < S+ 0 0 71 -3,-1.0 -1,-0.1 -4,-0.3 -2,-0.1 0.482 77.8 105.0 85.8 4.3 7.1 -17.4 -11.5 17 16 A R S S- 0 0 131 -5,-0.5 -1,-0.3 -10,-0.1 -2,-0.2 -0.854 76.2-107.3-117.0 147.7 9.8 -15.8 -9.3 18 17 A P - 0 0 111 0, 0.0 -6,-0.1 0, 0.0 -11,-0.0 -0.410 45.6 -95.2 -69.0 155.9 12.1 -17.5 -6.7 19 18 A P - 0 0 41 0, 0.0 6,-0.1 0, 0.0 -15,-0.1 -0.524 38.2-136.4 -73.1 129.7 11.3 -16.7 -2.9 20 19 A P - 0 0 50 0, 0.0 -3,-0.0 0, 0.0 -13,-0.0 -0.310 5.8-133.5 -79.1 167.3 13.5 -13.9 -1.5 21 20 A S 0 0 129 -2,-0.1 0, 0.0 -18,-0.0 0, 0.0 0.846 360.0 360.0 -91.9 -33.6 15.1 -14.1 1.9 22 21 A G 0 0 35 -21,-0.1 -18,-3.1 -18,-0.0 -17,-0.2 -0.298 360.0 360.0 -61.4 360.0 14.2 -10.7 3.4 23 !* 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 24 -1 B G > 0 0 18 0, 0.0 4,-1.5 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -41.1 10.5 -20.4 1.0 25 1 B D H > + 0 0 82 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.940 360.0 47.1 -66.8 -45.0 8.4 -22.5 -1.3 26 2 B A H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.873 108.5 57.5 -56.6 -38.9 7.7 -25.1 1.4 27 3 B Y H > S+ 0 0 15 18,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.919 102.2 54.2 -65.7 -37.3 6.8 -22.2 3.8 28 4 B A H X S+ 0 0 14 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.906 109.8 46.8 -61.2 -46.5 4.1 -20.9 1.5 29 5 B Q H X S+ 0 0 133 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.893 108.9 55.5 -63.6 -36.7 2.5 -24.3 1.4 30 6 B W H <>S+ 0 0 8 -4,-2.3 5,-2.7 1,-0.2 4,-0.2 0.925 108.2 48.7 -62.9 -42.2 2.8 -24.6 5.2 31 7 B L H ><5S+ 0 0 43 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.893 109.3 52.7 -55.9 -49.5 0.9 -21.3 5.5 32 8 B A H 3<5S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.810 105.9 54.9 -59.5 -27.8 -1.7 -22.5 3.1 33 9 B D T 3<5S- 0 0 77 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.414 136.1 -79.4 -87.8 0.3 -2.2 -25.6 5.3 34 10 B G T X 5 - 0 0 33 -3,-1.6 3,-1.5 -4,-0.2 -3,-0.2 0.317 53.4-138.6 118.8 -5.9 -2.9 -23.6 8.4 35 11 B G G > S+ 0 0 70 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.819 133.0 52.8 -52.1 -35.0 1.0 -22.6 13.4 37 13 B S G < S+ 0 0 112 -3,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.550 86.6 86.8 -77.6 -5.1 -2.3 -24.4 13.8 38 14 B S G < S- 0 0 24 -3,-2.2 -1,-0.2 2,-0.2 -3,-0.1 0.485 96.9-117.4 -76.2 -11.9 -1.5 -27.2 11.3 39 15 B G S < S+ 0 0 77 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.431 86.1 93.2 85.9 1.7 0.4 -29.6 13.6 40 16 B R S S- 0 0 134 -5,-0.5 -1,-0.3 -10,-0.1 -2,-0.2 -0.894 78.0-109.6-124.4 155.5 3.6 -29.2 11.6 41 17 B P - 0 0 106 0, 0.0 -6,-0.1 0, 0.0 -11,-0.0 -0.420 43.0 -88.9 -80.7 156.8 6.6 -26.9 12.2 42 18 B P - 0 0 43 0, 0.0 6,-0.1 0, 0.0 -15,-0.1 -0.468 46.4-124.6 -66.3 134.3 7.4 -24.0 9.9 43 19 B P - 0 0 41 0, 0.0 -16,-0.0 0, 0.0 -3,-0.0 -0.375 1.5-140.1 -75.4 156.0 9.7 -24.9 7.0 44 20 B S 0 0 129 -2,-0.1 -19,-0.0 -18,-0.0 -17,-0.0 0.809 360.0 360.0 -78.0 -36.1 13.0 -23.2 6.2 45 21 B G 0 0 34 -21,-0.1 -18,-2.4 -20,-0.0 -17,-0.2 -0.506 360.0 360.0 -76.6 360.0 12.5 -23.2 2.5 46 !* 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 47 -1 C G > 0 0 21 0, 0.0 4,-1.8 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -37.9 8.6 -19.0 11.4 48 1 C D H > + 0 0 76 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.913 360.0 50.9 -73.2 -37.6 5.6 -19.0 13.6 49 2 C A H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 108.8 53.0 -59.8 -41.8 6.3 -15.4 14.6 50 3 C Y H > S+ 0 0 16 18,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.908 105.8 53.2 -63.8 -38.1 6.5 -14.6 10.9 51 4 C A H X S+ 0 0 12 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.900 110.3 47.9 -59.4 -47.6 3.1 -16.2 10.4 52 5 C Q H X S+ 0 0 106 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.881 108.1 54.5 -61.8 -40.3 1.6 -14.0 13.1 53 6 C W H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 -2,-0.2 0.933 109.1 48.4 -59.8 -44.2 3.3 -10.9 11.6 54 7 C L H ><5S+ 0 0 38 -4,-2.5 3,-2.2 3,-0.2 -1,-0.2 0.930 109.3 53.6 -55.7 -48.5 1.6 -11.7 8.2 55 8 C A H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.849 106.1 53.5 -59.2 -34.4 -1.7 -12.1 10.0 56 9 C D T 3<5S- 0 0 80 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.298 135.7 -82.0 -84.2 7.5 -1.3 -8.7 11.6 57 10 C G T X 5 - 0 0 34 -3,-2.2 3,-1.5 -5,-0.1 -3,-0.2 0.415 51.9-126.7 106.0 2.8 -0.8 -7.0 8.2 58 11 C G G > S+ 0 0 79 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 0.901 130.3 58.6 -50.6 -39.5 4.6 -4.4 6.7 60 13 C S G < S+ 0 0 107 -3,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.561 85.5 79.8 -71.8 -5.0 1.6 -2.4 7.7 61 14 C S G < S- 0 0 31 -3,-2.5 -1,-0.3 2,-0.2 -3,-0.1 0.688 97.1-133.6 -67.1 -23.9 1.7 -4.0 11.2 62 15 C G S < S+ 0 0 75 -3,-2.1 -2,-0.1 -4,-0.3 -1,-0.1 0.519 70.4 110.6 78.2 7.7 4.4 -1.5 12.1 63 16 C R S S- 0 0 98 -5,-0.5 -1,-0.3 -10,-0.1 -2,-0.2 -0.767 77.9 -98.0-111.3 156.3 6.5 -4.3 13.6 64 17 C P - 0 0 101 0, 0.0 -6,-0.1 0, 0.0 -1,-0.0 -0.471 43.8-101.7 -69.2 148.1 9.7 -5.8 12.3 65 18 C P - 0 0 46 0, 0.0 -15,-0.1 0, 0.0 -63,-0.1 -0.495 45.7-129.5 -65.3 125.2 9.4 -9.0 10.3 66 19 C P - 0 0 35 0, 0.0 -13,-0.0 0, 0.0 -16,-0.0 -0.374 4.4-137.4 -77.4 157.3 10.5 -11.7 12.8 67 20 C S 0 0 133 -2,-0.1 -17,-0.0 -18,-0.1 0, 0.0 0.864 360.0 360.0 -78.8 -37.5 13.0 -14.4 12.0 68 21 C G 0 0 35 -21,-0.1 -18,-2.6 -20,-0.0 -17,-0.2 -0.393 360.0 360.0 -69.6 360.0 11.1 -17.3 13.6