==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 27-MAY-11 2LDJ . COMPND 2 MOLECULE: TRP-CAGE MINI-PROTEIN; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.R.GRANILLO,S.ANNAVARAPU,L.ZHANG,R.KODER,V.NANDA . 20 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 45.0 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 . 4 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 10.0 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 1 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 N 0 0 171 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 78.1 9.6 -2.3 -0.5 2 2 A L + 0 0 103 1,-0.2 18,-0.0 2,-0.1 0, 0.0 0.365 360.0 60.3 -94.9 3.6 7.4 -0.2 1.7 3 3 A Y S >> S+ 0 0 66 2,-0.1 4,-1.5 3,-0.1 3,-0.6 0.613 86.1 73.8-102.8 -19.3 4.6 -0.5 -0.8 4 4 A I H >> S+ 0 0 81 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.956 100.3 43.0 -59.7 -53.1 4.2 -4.3 -0.7 5 5 A Q H 34 S+ 0 0 140 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.509 115.0 55.2 -71.3 -2.8 2.6 -4.3 2.7 6 6 A W H <4>S+ 0 0 28 -3,-0.6 5,-1.3 2,-0.1 -1,-0.2 0.657 104.8 50.0-100.3 -23.6 0.6 -1.4 1.3 7 7 A L H X<5S+ 0 0 102 -4,-1.5 3,-0.5 -3,-0.8 -2,-0.2 0.751 108.0 52.9 -85.3 -27.7 -0.7 -3.2 -1.7 8 8 A K T 3<5S+ 0 0 142 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.598 103.2 59.1 -83.1 -12.1 -1.9 -6.3 0.3 9 9 A D T 3 5S- 0 0 89 -5,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.480 132.9 -82.8 -94.6 -4.4 -3.9 -4.0 2.6 10 10 A X T X>5 - 0 0 113 -3,-0.5 3,-1.5 3,-0.1 4,-1.0 0.613 55.6-116.7 111.2 21.4 -6.0 -2.6 -0.2 11 11 A G T 34XS- 0 0 5 -5,-1.3 5,-0.9 1,-0.3 4,-0.1 -0.225 82.2 -19.8 52.3-132.3 -3.7 0.1 -1.5 12 12 A P T 345S+ 0 0 69 0, 0.0 -1,-0.3 0, 0.0 -5,-0.1 0.650 133.1 70.7 -80.9 -15.6 -5.3 3.6 -1.1 13 13 A S T <45S+ 0 0 113 -3,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.999 122.2 5.0 -62.6 -70.8 -8.7 2.1 -0.8 14 14 A S T <5S+ 0 0 65 -4,-1.0 -1,-0.2 2,-0.1 -3,-0.2 -0.070 138.5 44.6-106.6 31.6 -8.5 0.5 2.6 15 15 A G T 5S- 0 0 42 -5,-0.4 -4,-0.1 -4,-0.1 -8,-0.1 0.244 102.4 -55.9-132.3-102.5 -5.0 1.8 3.4 16 16 A R < - 0 0 160 -5,-0.9 -3,-0.1 -10,-0.2 -2,-0.1 -0.988 58.4 -74.5-153.5 156.2 -3.6 5.3 2.9 17 17 A P S S- 0 0 105 0, 0.0 -6,-0.0 0, 0.0 -4,-0.0 -0.260 77.4 -72.6 -52.9 136.2 -3.1 7.9 0.1 18 18 A P - 0 0 92 0, 0.0 -15,-0.0 0, 0.0 -7,-0.0 -0.003 69.7-175.3 -35.3 96.3 -0.3 6.9 -2.3 19 19 A P 0 0 50 0, 0.0 -16,-0.0 0, 0.0 -3,-0.0 0.083 360.0 360.0 -83.1-161.4 2.7 7.6 0.0 20 20 A S 0 0 134 -18,-0.0 -18,-0.0 -17,-0.0 -17,-0.0 -0.733 360.0 360.0 -93.9 360.0 6.4 7.3 -0.7