==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 10-MAR-04 1SNE . COMPND 2 MOLECULE: TETRAMERIC BETA-BETA-ALPHA MINI-PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.H.ALI,E.PEISACH,K.N.ALLEN,B.IMPERIALI . 42 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 83.3 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 . 6 14.3 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 . 2 4.8 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 . 5 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 52.4 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 2 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 2 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 . 2 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 1 101 A Y 0 0 215 0, 0.0 8,-2.4 0, 0.0 7,-0.7 0.000 360.0 360.0 360.0 92.0 13.3 12.0 -21.6 2 102 A R E -A 7 0A 126 5,-0.2 2,-0.8 6,-0.2 5,-0.2 -0.842 360.0-149.8-118.8 151.1 16.5 13.8 -22.5 3 103 A I E > S-A 6 0A 122 3,-2.3 3,-2.1 -2,-0.3 2,-0.2 -0.952 85.4 -49.1-110.9 101.2 17.4 17.3 -23.7 4 104 A X T 3 S- 0 0 118 -2,-0.8 -2,-0.0 1,-0.3 0, 0.0 -0.502 123.7 -22.7 67.0-131.6 20.4 16.4 -25.7 5 105 A S T 3 S+ 0 0 118 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.464 114.8 105.6 -92.3 -0.9 22.5 14.1 -23.5 6 106 A Y E < -A 3 0A 127 -3,-2.1 -3,-2.3 1,-0.1 2,-1.7 -0.702 69.8-138.1 -84.4 120.8 21.0 15.4 -20.3 7 107 A D E > +A 2 0A 34 -2,-0.6 4,-2.2 -5,-0.2 -5,-0.2 -0.578 29.9 170.6 -82.0 85.5 18.5 13.0 -18.7 8 108 A F H > S+ 0 0 109 -2,-1.7 4,-2.4 -7,-0.7 -1,-0.2 0.879 75.9 56.2 -61.2 -41.3 15.7 15.4 -17.7 9 109 A X H > S+ 0 0 24 -8,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.937 109.7 45.2 -56.8 -49.8 13.4 12.5 -16.8 10 110 A D H > S+ 0 0 23 -9,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 113.4 49.0 -62.0 -46.3 16.0 11.0 -14.4 11 111 A E H X S+ 0 0 64 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.855 109.9 52.2 -65.0 -33.9 16.8 14.4 -12.7 12 112 A L H X S+ 0 0 74 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.909 107.2 53.0 -68.0 -39.3 13.0 15.1 -12.4 13 113 A A H X S+ 0 0 25 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.895 106.6 53.3 -61.7 -39.3 12.6 11.7 -10.6 14 114 A K H X S+ 0 0 101 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.880 108.5 49.4 -63.8 -38.2 15.4 12.7 -8.2 15 115 A L H X S+ 0 0 102 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.888 108.2 53.0 -68.2 -39.9 13.6 15.9 -7.4 16 116 A L H X S+ 0 0 90 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.917 114.3 43.6 -61.2 -41.4 10.3 14.1 -6.7 17 117 A R H X S+ 0 0 120 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.939 114.0 47.9 -70.0 -47.3 12.2 11.8 -4.3 18 118 A X H < S+ 0 0 184 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.1 47.2 -63.0 -39.3 14.2 14.4 -2.6 19 119 A A H < S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.900 117.2 43.2 -67.1 -39.1 11.1 16.6 -2.1 20 120 A X H < 0 0 188 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.680 360.0 360.0 -82.9 -20.8 9.1 13.7 -0.8 21 121 A G < 0 0 81 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.1 -0.324 360.0 360.0 69.5 360.0 11.6 12.1 1.5 22 !* 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 23 201 B Y 0 0 211 0, 0.0 8,-2.2 0, 0.0 7,-0.6 0.000 360.0 360.0 360.0 94.6 5.3 4.3 -4.6 24 202 B R E -B 29 0B 137 5,-0.2 2,-0.6 6,-0.2 5,-0.2 -0.730 360.0-158.5-107.8 150.5 6.6 2.6 -1.5 25 203 B I E > S-B 28 0B 111 3,-2.6 3,-1.9 -2,-0.3 2,-0.1 -0.931 76.1 -63.8-117.4 93.3 6.6 -1.0 -0.3 26 204 B X T 3 S- 0 0 120 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 -0.390 120.8 -9.9 62.1-130.2 7.0 -0.3 3.4 27 205 B S T 3 S+ 0 0 138 -3,-0.1 2,-0.5 -2,-0.1 -1,-0.3 0.190 118.9 95.9 -86.8 17.1 10.4 1.4 3.9 28 206 B Y E < S-B 25 0B 122 -3,-1.9 -3,-2.6 4,-0.0 2,-1.7 -0.926 70.2-141.1-113.7 126.7 11.4 0.7 0.3 29 207 B D E > +B 24 0B 31 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.2 -0.617 28.5 171.2 -85.9 84.3 11.0 3.3 -2.4 30 208 B F H > S+ 0 0 102 -2,-1.7 4,-2.4 -7,-0.6 5,-0.2 0.901 74.2 56.1 -59.9 -44.6 9.9 0.9 -5.2 31 209 B X H > S+ 0 0 26 -8,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.921 109.3 47.3 -52.8 -48.3 9.0 3.8 -7.6 32 210 B D H > S+ 0 0 18 -9,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 111.1 50.2 -62.2 -45.4 12.5 5.2 -7.3 33 211 B E H X S+ 0 0 67 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.862 109.6 51.6 -63.6 -35.8 14.2 1.8 -7.8 34 212 B L H X S+ 0 0 72 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.917 109.4 50.1 -66.2 -43.2 12.1 1.3 -10.9 35 213 B A H X S+ 0 0 28 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 111.0 48.8 -62.0 -41.7 13.1 4.7 -12.3 36 214 B K H X S+ 0 0 77 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.879 110.0 52.6 -66.3 -35.2 16.8 3.9 -11.6 37 215 B L H X S+ 0 0 91 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.917 106.6 51.9 -65.8 -43.7 16.3 0.5 -13.4 38 216 B L H X S+ 0 0 89 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.921 113.5 45.6 -58.4 -42.7 14.9 2.1 -16.5 39 217 B R H X S+ 0 0 109 -4,-1.9 4,-1.5 2,-0.2 3,-0.3 0.945 112.6 49.4 -65.8 -50.2 17.9 4.4 -16.6 40 218 B X H < S+ 0 0 149 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 112.9 46.7 -55.5 -45.0 20.4 1.7 -16.0 41 219 B A H < S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.766 121.0 38.7 -71.0 -23.9 18.9 -0.6 -18.7 42 220 B X H < 0 0 199 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.465 360.0 360.0-104.4 -8.8 18.8 2.3 -21.2 43 221 B G < 0 0 82 -4,-1.5 -2,-0.1 -3,-0.2 -3,-0.1 0.998 360.0 360.0 -68.4 360.0 21.9 4.0 -20.3