==== 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 DE NOVO PROTEIN 02-APR-01 1ICL . COMPND 2 MOLECULE: TH1OX; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.J.OTTESEN,B.IMPERIALI . 29 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 51.7 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 . 5 17.2 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 . 1 3.4 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 . 7 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 3.4 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+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 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S 0 0 61 0, 0.0 15,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -48.8 22.1 19.1 -9.6 2 2 A K - 0 0 165 26,-1.5 2,-0.2 25,-0.3 11,-0.0 -0.785 360.0-172.5-143.8 91.9 25.1 17.2 -11.3 3 3 A Y E -A 14 0A 38 11,-1.5 11,-1.6 -2,-0.3 2,-0.4 -0.568 14.1-164.7 -87.1 150.4 27.3 19.6 -13.4 4 4 A E E +A 13 0A 51 9,-0.2 23,-0.6 -2,-0.2 2,-0.4 -0.974 13.3 173.2-130.7 118.0 30.3 18.7 -15.9 5 5 A Y E -A 12 0A 36 7,-1.5 7,-2.7 -2,-0.4 2,-0.9 -0.944 15.8-160.6-130.3 113.2 32.6 21.7 -16.9 6 6 A T E +A 11 0A 83 -2,-0.4 2,-0.6 5,-0.3 5,-0.2 -0.794 15.4 172.2 -98.2 97.8 35.8 20.9 -18.9 7 7 A V - 0 0 85 3,-1.9 3,-0.4 -2,-0.9 2,-0.1 -0.957 69.3 -38.4-101.7 108.3 38.2 23.9 -18.5 8 8 A X S S- 0 0 119 -2,-0.6 2,-0.6 1,-0.2 0, 0.0 -0.386 121.9 -28.6 71.8-153.9 41.6 22.6 -20.3 9 9 A S S S+ 0 0 133 -2,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.314 120.9 98.7 -84.4 47.7 42.4 18.9 -19.7 10 10 A Y - 0 0 157 -2,-0.6 -3,-1.9 -3,-0.4 2,-0.7 -0.870 58.1-163.2-144.6 99.2 40.5 19.2 -16.3 11 11 A T E -A 6 0A 67 -2,-0.3 2,-1.2 -5,-0.2 -5,-0.3 -0.802 10.5-153.5 -88.8 105.9 36.9 17.9 -16.4 12 12 A F E +A 5 0A 77 -7,-2.7 -7,-1.5 -2,-0.7 2,-0.4 -0.724 23.6 170.8 -92.0 91.2 35.2 19.4 -13.2 13 13 A R E +A 4 0A 181 -2,-1.2 -9,-0.2 -9,-0.2 -2,-0.0 -0.900 19.2 115.1-103.2 131.0 32.4 16.9 -12.4 14 14 A G E -A 3 0A 25 -11,-1.6 -11,-1.5 -2,-0.4 2,-0.2 -0.922 61.6 -81.2-179.9 162.3 30.5 17.3 -9.0 15 15 A P S S+ 0 0 117 0, 0.0 -13,-0.2 0, 0.0 13,-0.0 -0.560 91.9 37.5 -83.3 148.9 26.9 18.1 -7.5 16 16 A G S S- 0 0 46 -15,-0.4 12,-0.0 12,-0.2 -14,-0.0 0.851 83.5-114.0 82.8 105.7 25.6 21.7 -7.0 17 17 A a + 0 0 36 1,-0.1 3,-0.1 11,-0.1 -1,-0.1 -0.551 41.6 171.8 -73.5 108.1 26.5 24.3 -9.9 18 18 A P + 0 0 89 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.982 58.5 26.6 -88.8 -70.0 28.9 27.0 -8.3 19 19 A T - 0 0 59 1,-0.0 0, 0.0 2,-0.0 0, 0.0 -0.753 53.6-176.2 -95.2 140.0 30.4 29.5 -10.9 20 20 A V + 0 0 110 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.0 -0.499 20.8 176.6-135.7 63.9 28.5 30.2 -14.2 21 21 A K > - 0 0 143 1,-0.1 2,-1.0 2,-0.1 3,-0.9 -0.219 45.2 -80.9 -72.9 155.5 31.1 32.5 -16.0 22 22 A P T 3 S+ 0 0 143 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.436 115.7 29.7 -77.1 96.9 30.5 33.8 -19.7 23 23 A X T 3 S+ 0 0 107 -2,-1.0 2,-0.4 1,-0.3 -2,-0.1 0.597 76.4 129.6 131.9 26.3 31.5 30.8 -22.0 24 24 A I < - 0 0 53 -3,-0.9 2,-1.1 -17,-0.0 -1,-0.3 -0.833 51.7-142.9 -98.2 141.4 31.0 27.3 -20.3 25 25 A S - 0 0 116 -2,-0.4 -19,-0.2 -19,-0.1 2,-0.2 -0.789 42.7-166.1 -93.2 78.7 29.1 24.6 -22.1 26 26 A L - 0 0 51 -2,-1.1 3,-0.2 -21,-0.1 -21,-0.1 -0.483 30.2-160.1 -85.9 142.8 27.6 23.6 -18.7 27 27 A R + 0 0 169 -23,-0.6 -25,-0.3 -2,-0.2 -1,-0.1 -0.301 38.9 142.9-116.2 51.8 25.7 20.4 -17.8 28 28 A a 0 0 44 1,-0.2 -26,-1.5 -25,-0.1 -12,-0.2 0.833 360.0 360.0 -61.4 -48.9 23.8 21.6 -14.6 29 29 A E 0 0 214 -28,-0.2 -1,-0.2 -3,-0.2 -26,-0.0 -0.980 360.0 360.0-132.4 360.0 20.3 19.8 -15.0