==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 10-MAR-04 1SNA . COMPND 2 MOLECULE: TETRAMERIC BETA-BETA-ALPHA MINI-PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.H.ALI,E.PEISACH,K.N.ALLEN,B.IMPERIALI . 84 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 82.1 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 . 9 10.7 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 . 4 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 . 10 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 47.6 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 1 2 1 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 . 3 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 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 1 101 A Y 0 0 227 0, 0.0 8,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 89.8 29.2 27.0 8.7 2 102 A R - 0 0 163 5,-0.2 2,-0.6 6,-0.2 5,-0.2 -0.878 360.0-150.2-124.7 151.9 29.5 25.0 5.5 3 103 A I B > S-A 6 0A 77 3,-2.0 3,-2.5 -2,-0.3 2,-0.0 -0.978 81.5 -50.1-113.7 107.9 30.5 21.4 4.6 4 104 A X T 3 S- 0 0 118 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.403 123.5 -22.6 60.4-134.6 31.8 22.0 1.1 5 105 A S T 3 S+ 0 0 128 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.186 113.3 109.8 -94.5 18.3 29.1 23.9 -0.8 6 106 A Y B < -A 3 0A 129 -3,-2.5 2,-2.0 1,-0.0 -3,-2.0 -0.849 67.1-139.5 -96.5 124.5 26.4 22.8 1.6 7 107 A D > + 0 0 75 -2,-0.6 4,-1.8 -5,-0.2 -5,-0.2 -0.537 36.4 162.1 -82.7 79.2 25.1 25.6 3.9 8 108 A F H > + 0 0 70 -2,-2.0 4,-2.5 -7,-0.3 5,-0.2 0.905 68.8 57.5 -65.5 -45.9 24.8 23.4 7.0 9 109 A X H > S+ 0 0 12 -8,-3.0 4,-2.4 -3,-0.2 5,-0.2 0.949 109.8 45.7 -49.6 -53.9 24.6 26.4 9.4 10 110 A D H > S+ 0 0 92 -9,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.911 112.5 47.5 -59.7 -47.7 21.6 27.8 7.6 11 111 A E H X S+ 0 0 66 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.867 111.3 52.2 -62.8 -35.8 19.7 24.6 7.4 12 112 A L H X S+ 0 0 63 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.914 107.7 51.8 -66.1 -42.6 20.3 23.8 11.0 13 113 A X H X S+ 0 0 125 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.874 108.4 52.1 -62.1 -35.8 19.0 27.2 12.0 14 114 A K H X S+ 0 0 84 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.902 108.2 51.1 -67.3 -39.7 15.9 26.5 10.0 15 115 A L H X S+ 0 0 88 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.917 107.4 52.4 -64.1 -42.8 15.4 23.2 11.8 16 116 A L H X S+ 0 0 78 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.919 112.1 47.1 -60.3 -39.4 15.7 24.9 15.2 17 117 A R H >< S+ 0 0 149 -4,-1.9 3,-0.5 -5,-0.2 -2,-0.2 0.953 113.5 46.1 -67.1 -46.9 13.0 27.4 14.0 18 118 A Q H >< S+ 0 0 125 -4,-2.7 3,-1.6 1,-0.3 -2,-0.2 0.911 111.0 52.7 -61.2 -41.0 10.6 24.7 12.7 19 119 A A H 3< S+ 0 0 74 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.760 108.5 52.4 -65.9 -21.8 11.1 22.6 15.8 20 120 A X T << 0 0 206 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.299 360.0 360.0 -98.2 9.6 10.2 25.6 17.9 21 121 A G < 0 0 106 -3,-1.6 -3,-0.0 -4,-0.1 -4,-0.0 -0.324 360.0 360.0 -94.3 360.0 6.9 26.3 16.1 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 0 217 0, 0.0 8,-2.0 0, 0.0 7,-1.0 0.000 360.0 360.0 360.0 82.9 30.6 13.4 10.4 24 202 B R E -B 29 0B 142 5,-0.2 2,-0.5 6,-0.2 5,-0.2 -0.794 360.0-162.3-112.9 144.9 33.9 15.1 10.7 25 203 B I E > S-B 28 0B 77 3,-2.6 3,-2.4 -2,-0.3 2,-0.1 -0.898 75.6 -60.2-119.0 95.3 35.0 18.7 10.3 26 204 B X T 3 S- 0 0 112 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 -0.460 121.4 -16.8 62.3-131.5 38.7 18.3 9.9 27 205 B S T 3 S+ 0 0 118 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.592 118.2 101.2 -82.8 -8.5 39.9 16.6 13.1 28 206 B Y E < -B 25 0B 124 -3,-2.4 -3,-2.6 1,-0.1 2,-1.3 -0.595 66.7-144.6 -83.4 132.0 36.7 17.5 15.0 29 207 B D E > +B 24 0B 67 -2,-0.3 4,-2.3 -5,-0.2 -5,-0.2 -0.744 25.1 172.5 -93.7 88.9 34.1 14.7 15.3 30 208 B F H > S+ 0 0 62 -2,-1.3 4,-2.8 -7,-1.0 5,-0.2 0.898 74.4 58.5 -63.2 -42.7 31.0 16.8 15.0 31 209 B X H > S+ 0 0 16 -8,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.930 109.1 45.0 -49.5 -52.4 28.8 13.6 14.9 32 210 B D H > S+ 0 0 59 -9,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 113.5 47.5 -63.2 -47.8 30.1 12.5 18.3 33 211 B E H X S+ 0 0 71 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.894 112.4 50.1 -62.4 -41.1 29.9 15.9 20.0 34 212 B L H X S+ 0 0 66 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.903 108.6 52.3 -63.5 -41.9 26.3 16.4 18.7 35 213 B X H X S+ 0 0 129 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.911 109.9 49.8 -59.0 -43.1 25.3 12.9 20.0 36 214 B K H X S+ 0 0 71 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.914 110.3 50.2 -61.1 -44.4 26.7 13.8 23.4 37 215 B L H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.922 107.2 53.7 -60.7 -43.5 24.8 17.1 23.4 38 216 B L H < S+ 0 0 82 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.934 113.1 43.7 -57.9 -42.6 21.5 15.4 22.5 39 217 B R H >< S+ 0 0 113 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.937 110.6 54.2 -67.4 -46.2 21.9 13.0 25.4 40 218 B Q H >< S+ 0 0 142 -4,-2.9 3,-0.7 1,-0.3 -1,-0.2 0.850 110.3 47.6 -57.2 -36.1 23.0 15.8 27.8 41 219 B A T 3< S+ 0 0 67 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.513 108.3 56.1 -85.4 -2.1 19.8 17.7 27.0 42 220 B X T < 0 0 163 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 -0.066 360.0 360.0-119.0 31.2 17.5 14.7 27.4 43 221 B G < 0 0 81 -3,-0.7 -3,-0.1 0, 0.0 -4,-0.0 0.132 360.0 360.0 -30.5 360.0 18.5 13.8 31.0 44 !* 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 45 301 C Y 0 0 214 0, 0.0 8,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 78.2 11.9 -1.5 38.4 46 302 C R - 0 0 173 6,-0.2 2,-0.8 5,-0.2 5,-0.2 -0.872 360.0-147.8-106.1 138.8 13.2 0.9 41.0 47 303 C I B > S-C 50 0C 81 3,-2.3 3,-2.7 -2,-0.4 2,-0.0 -0.936 77.6 -50.6-100.1 108.1 16.6 0.6 42.6 48 304 C X T 3 S- 0 0 121 -2,-0.8 -2,-0.0 1,-0.3 0, 0.0 -0.447 125.5 -21.1 59.4-138.2 15.8 2.0 46.0 49 305 C S T 3 S+ 0 0 125 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.327 115.2 108.8 -83.9 5.9 14.1 5.3 45.2 50 306 C Y B < -C 47 0C 138 -3,-2.7 2,-2.5 1,-0.1 -3,-2.3 -0.771 68.6-136.2 -96.1 125.4 15.6 5.5 41.6 51 307 C D > + 0 0 76 -2,-0.5 4,-2.0 -5,-0.2 -5,-0.2 -0.385 41.2 157.8 -78.4 66.1 13.4 4.9 38.6 52 308 C F H > + 0 0 57 -2,-2.5 4,-2.8 -7,-0.2 5,-0.3 0.908 66.8 57.2 -59.1 -46.4 15.9 2.7 36.8 53 309 C X H > S+ 0 0 17 -8,-2.9 4,-2.4 -3,-0.3 -1,-0.2 0.944 110.0 44.6 -51.3 -52.3 13.2 1.0 34.6 54 310 C D H > S+ 0 0 86 -9,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 113.6 48.8 -59.6 -44.7 12.1 4.3 33.2 55 311 C E H X S+ 0 0 55 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.892 111.1 50.7 -68.0 -34.5 15.6 5.6 32.6 56 312 C L H X S+ 0 0 66 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.936 108.3 52.6 -67.4 -41.6 16.7 2.4 30.8 57 313 C X H X S+ 0 0 145 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.907 107.1 52.8 -60.6 -38.3 13.7 2.6 28.6 58 314 C K H X S+ 0 0 96 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.914 107.2 51.4 -66.3 -37.2 14.7 6.1 27.7 59 315 C L H X S+ 0 0 100 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.929 110.1 49.5 -61.6 -43.9 18.2 5.0 26.7 60 316 C L H X S+ 0 0 84 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.905 112.7 47.9 -63.2 -40.0 16.8 2.3 24.5 61 317 C R H X S+ 0 0 202 -4,-2.4 4,-1.6 -5,-0.2 3,-0.3 0.929 112.6 47.2 -66.2 -45.1 14.5 4.9 22.8 62 318 C Q H < S+ 0 0 65 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.909 110.6 52.2 -63.5 -41.8 17.3 7.4 22.3 63 319 C A H < S+ 0 0 82 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.799 115.1 44.2 -64.1 -25.4 19.6 4.7 20.8 64 320 C X H < 0 0 218 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.635 360.0 360.0 -91.4 -26.7 16.8 3.8 18.4 65 321 C G < 0 0 101 -4,-1.6 0, 0.0 -3,-0.2 0, 0.0 -0.651 360.0 360.0-120.8 360.0 15.6 7.2 17.3 66 !* 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 67 401 D Y 0 0 236 0, 0.0 8,-3.1 0, 0.0 9,-0.3 0.000 360.0 360.0 360.0 139.5 26.7 -4.2 41.8 68 402 D R - 0 0 143 6,-0.2 2,-0.5 5,-0.2 5,-0.2 -0.901 360.0-147.8-128.2 155.5 24.4 -6.8 43.3 69 403 D I B > S-D 72 0D 92 3,-2.3 3,-1.8 -2,-0.3 2,-0.2 -0.881 77.0 -54.6-120.6 93.7 20.7 -6.9 44.2 70 404 D X T 3 S- 0 0 105 -2,-0.5 4,-0.1 1,-0.3 -1,-0.1 -0.500 120.0 -22.5 65.8-138.9 20.7 -9.3 47.2 71 405 D S T 3 S+ 0 0 111 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.489 113.7 108.0 -83.5 3.3 22.3 -12.5 45.9 72 406 D Y B < S-D 69 0D 127 -3,-1.8 2,-2.6 1,-0.1 -3,-2.3 -0.695 71.0-137.2 -83.0 123.3 21.6 -11.7 42.3 73 407 D D > + 0 0 54 -2,-0.6 4,-3.2 1,-0.2 5,-0.3 -0.437 36.5 167.5 -78.2 70.3 24.8 -10.7 40.5 74 408 D F H > + 0 0 48 -2,-2.6 4,-2.6 1,-0.2 5,-0.2 0.900 69.7 48.9 -53.2 -52.7 23.2 -7.9 38.7 75 409 D X H > S+ 0 0 32 -8,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.929 117.4 42.9 -52.5 -51.7 26.4 -6.2 37.4 76 410 D D H > S+ 0 0 90 -9,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.891 112.3 51.5 -64.6 -45.6 27.7 -9.4 36.1 77 411 D E H X S+ 0 0 78 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.864 111.2 48.6 -64.6 -34.6 24.5 -10.6 34.6 78 412 D L H X S+ 0 0 61 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.923 110.9 49.7 -70.3 -42.1 24.0 -7.4 32.7 79 413 D X H X S+ 0 0 104 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.900 112.0 49.9 -60.8 -38.1 27.6 -7.5 31.5 80 414 D K H X S+ 0 0 96 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.923 110.2 49.4 -68.3 -42.9 26.9 -11.1 30.3 81 415 D L H X S+ 0 0 97 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.912 110.6 50.4 -62.9 -44.3 23.7 -10.2 28.5 82 416 D L H X S+ 0 0 69 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.915 112.7 46.8 -61.4 -43.0 25.5 -7.3 26.7 83 417 D R H >< S+ 0 0 174 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.932 113.1 48.1 -65.6 -45.3 28.3 -9.7 25.6 84 418 D Q H >< S+ 0 0 124 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.920 109.6 53.0 -61.4 -38.6 25.8 -12.4 24.5 85 419 D A H 3< S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.675 107.3 53.7 -70.1 -13.8 23.8 -9.8 22.5 86 420 D X T << 0 0 214 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.250 360.0 360.0-103.4 8.8 27.0 -8.7 20.8 87 421 D G < 0 0 107 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.822 360.0 360.0 73.0 360.0 27.9 -12.2 19.6