==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NOVEL SEQUENCE 09-JUN-97 1FSD . COMPND 2 MOLECULE: FULL SEQUENCE DESIGN 1 OF BETA BETA ALPHA MOTIF; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR B.I.DAHIYAT,S.L.MAYO . 28 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 53.6 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 . 2 7.1 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 . 3 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 3.6 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 1 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 . 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 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 Q 0 0 184 0, 0.0 3,-0.2 0, 0.0 12,-0.0 0.000 360.0 360.0 360.0 -52.1 -13.4 2.5 -0.2 2 2 A Q + 0 0 102 1,-0.3 2,-0.6 9,-0.1 11,-0.2 0.985 360.0 0.7 -65.3 -79.5 -10.2 4.5 0.4 3 3 A Y B -A 12 0A 75 9,-2.3 9,-1.2 1,-0.1 -1,-0.3 -0.936 55.8-163.7-117.5 117.9 -7.6 2.9 -1.9 4 4 A T + 0 0 116 -2,-0.6 2,-2.4 -3,-0.2 -1,-0.1 0.537 55.4 120.8 -74.1 -4.3 -8.7 -0.0 -4.1 5 5 A A - 0 0 40 1,-0.1 2,-2.7 7,-0.1 4,-0.2 -0.332 42.2-176.1 -61.9 80.4 -5.0 -0.9 -4.7 6 6 A K + 0 0 151 -2,-2.4 5,-0.1 1,-0.2 -1,-0.1 -0.343 17.8 159.8 -77.7 63.6 -5.3 -4.5 -3.3 7 7 A I S S+ 0 0 54 -2,-2.7 -1,-0.2 3,-0.4 4,-0.1 0.919 79.0 2.2 -51.8 -94.7 -1.5 -5.1 -3.7 8 8 A K S S- 0 0 144 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.835 135.2 -67.8 -65.3 -27.4 -0.7 -8.0 -1.3 9 9 A G S S+ 0 0 58 1,-0.3 2,-0.3 -4,-0.2 -3,-0.1 0.467 99.1 102.1 140.5 56.3 -4.5 -8.1 -0.5 10 10 A R - 0 0 122 -5,-0.2 2,-0.5 -6,-0.1 -3,-0.4 -0.944 63.5-122.3-161.1 140.2 -5.7 -5.0 1.4 11 11 A T - 0 0 84 -2,-0.3 2,-0.2 -5,-0.1 -7,-0.2 -0.683 37.2-140.4 -81.8 125.9 -7.6 -1.8 0.8 12 12 A F B -A 3 0A 7 -9,-1.2 -9,-2.3 -2,-0.5 3,-0.1 -0.552 8.3-143.9 -89.0 155.7 -5.3 1.1 1.9 13 13 A R S S+ 0 0 198 1,-0.2 2,-0.3 -11,-0.2 -1,-0.1 0.892 82.5 9.8 -83.9 -41.8 -6.5 4.2 3.8 14 14 A N S > S- 0 0 56 1,-0.1 4,-1.9 -11,-0.1 -1,-0.2 -0.928 72.6-115.7-135.6 161.0 -4.2 6.7 2.1 15 15 A E H > S+ 0 0 117 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.883 110.3 67.5 -63.3 -36.3 -1.7 6.7 -0.9 16 16 A K H > S+ 0 0 169 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 106.2 38.8 -50.2 -52.6 1.2 7.3 1.6 17 17 A E H > S+ 0 0 107 2,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.973 115.0 51.9 -65.6 -49.9 0.8 3.9 3.2 18 18 A L H X S+ 0 0 26 -4,-1.9 4,-0.9 1,-0.3 -1,-0.2 0.836 115.2 45.4 -55.3 -25.9 -0.0 2.2 -0.2 19 19 A R H X S+ 0 0 162 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.3 0.821 111.6 50.1 -85.8 -31.9 3.2 3.9 -1.2 20 20 A D H X S+ 0 0 75 -4,-2.4 4,-0.9 -5,-0.3 -2,-0.2 0.459 101.7 67.3 -85.0 3.3 5.1 2.9 1.9 21 21 A F H < S+ 0 0 37 -4,-1.1 3,-0.3 2,-0.2 -2,-0.2 0.929 96.9 48.1 -85.8 -51.4 3.9 -0.7 1.3 22 22 A I H ><>S+ 0 0 58 -4,-0.9 6,-2.4 1,-0.2 5,-1.2 0.863 108.6 58.7 -57.7 -30.3 5.9 -1.4 -1.8 23 23 A E H ><5S+ 0 0 106 -4,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.941 115.6 33.3 -64.5 -42.9 8.9 0.0 0.1 24 24 A K T 3<5S+ 0 0 186 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.174 104.5 80.4 -95.8 17.7 8.4 -2.7 2.8 25 25 A F T < 5S- 0 0 96 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.359 103.2-117.6-103.3 3.5 7.2 -5.2 0.1 26 26 A K T < 5S+ 0 0 209 -3,-0.6 -3,-0.1 -4,-0.2 -2,-0.1 0.847 102.2 79.1 63.6 30.4 10.8 -6.1 -1.1 27 27 A G < 0 0 50 -5,-1.2 -4,-0.2 -4,-0.0 -5,-0.1 0.553 360.0 360.0-133.4 -42.1 9.8 -4.7 -4.5 28 28 A R 0 0 258 -6,-2.4 -5,-0.1 -7,-0.2 -8,-0.0 -0.073 360.0 360.0 54.6 360.0 10.0 -0.9 -4.3