==== 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 1SN9 . 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) . 5787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 81.0 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 . 10 11.9 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 . 7 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 13.1 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 . 2 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 0 101 0, 0.0 8,-0.8 0, 0.0 7,-0.3 0.000 360.0 360.0 360.0 52.7 14.1 16.7 -0.1 2 102 A R - 0 0 194 6,-0.2 2,-0.6 5,-0.2 5,-0.2 -0.474 360.0-149.2 -79.8 154.1 15.4 19.7 -2.0 3 103 A I B > S-A 6 0A 37 3,-1.9 3,-2.1 -2,-0.2 2,-0.1 -0.887 72.3 -52.8-118.6 96.3 13.1 22.3 -3.6 4 104 A X T 3 S- 0 0 118 -2,-0.6 -1,-0.1 1,-0.3 37,-0.0 -0.486 122.9 -22.6 60.0-132.9 15.0 23.5 -6.6 5 105 A S T 3 S+ 0 0 122 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.468 113.7 109.0 -88.9 7.2 18.4 24.4 -5.1 6 106 A Y B < -A 3 0A 42 -3,-2.1 2,-2.2 35,-0.2 -3,-1.9 -0.618 69.1-136.7 -84.7 131.4 17.1 25.0 -1.6 7 107 A D > + 0 0 80 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.384 38.9 161.8 -86.5 75.4 18.1 22.3 0.9 8 108 A F H > + 0 0 0 -2,-2.2 4,-2.6 -7,-0.3 5,-0.2 0.927 69.0 51.6 -60.2 -51.2 14.7 22.0 2.5 9 109 A X H > S+ 0 0 18 -8,-0.8 4,-2.5 -3,-0.3 5,-0.2 0.950 113.8 44.4 -51.0 -53.4 15.3 18.6 4.1 10 110 A D H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 110.6 53.7 -64.0 -37.5 18.5 19.8 5.8 11 111 A E H X S+ 0 0 53 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.893 109.8 48.3 -67.2 -36.5 17.1 23.1 6.9 12 112 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.928 109.8 52.1 -69.0 -38.6 14.2 21.3 8.6 13 113 A A H X S+ 0 0 51 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.917 110.7 49.3 -58.7 -40.8 16.7 18.9 10.3 14 114 A K H X S+ 0 0 79 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.920 108.6 52.1 -67.1 -40.0 18.6 22.0 11.5 15 115 A L H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.922 108.1 51.6 -60.7 -44.9 15.4 23.6 12.8 16 116 A L H X S+ 0 0 10 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.941 112.4 46.9 -58.6 -44.8 14.6 20.5 14.8 17 117 A R H >< S+ 0 0 126 -4,-2.1 3,-1.1 -5,-0.2 -2,-0.2 0.971 113.9 45.7 -58.2 -56.0 18.1 20.5 16.3 18 118 A Q H >< S+ 0 0 115 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.927 108.7 56.3 -59.5 -40.6 18.0 24.2 17.2 19 119 A A H 3< S+ 0 0 6 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.752 110.6 47.1 -59.7 -21.8 14.5 23.9 18.7 20 120 A X T << 0 0 65 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.237 360.0 360.0-105.6 9.7 15.8 21.2 20.9 21 121 A G < 0 0 98 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.873 360.0 360.0 -93.6 360.0 19.0 23.1 22.0 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 0 125 0, 0.0 8,-2.4 0, 0.0 7,-0.4 0.000 360.0 360.0 360.0 91.6 3.8 26.0 18.7 24 202 B R - 0 0 138 5,-0.2 2,-0.5 6,-0.2 5,-0.2 -0.830 360.0-151.9-118.8 156.0 6.8 26.7 20.9 25 203 B I B > S-B 28 0B 43 3,-2.3 3,-2.0 -2,-0.3 2,-0.2 -0.949 80.7 -54.5-121.2 103.9 9.6 24.8 22.7 26 204 B X T 3 S- 0 0 114 -2,-0.5 -7,-0.0 1,-0.3 -1,-0.0 -0.405 123.6 -17.9 56.2-123.1 10.3 27.1 25.6 27 205 B S T 3 S+ 0 0 110 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.609 114.0 104.0 -90.0 -6.9 11.1 30.4 24.0 28 206 B Y B < -B 25 0B 56 -3,-2.0 -3,-2.3 -9,-0.2 2,-1.8 -0.622 67.3-142.5 -75.3 119.3 11.7 29.0 20.5 29 207 B D > + 0 0 49 -2,-0.5 4,-2.9 -5,-0.2 5,-0.3 -0.570 26.9 173.2 -83.6 80.6 8.8 29.7 18.2 30 208 B F H > S+ 0 0 0 -2,-1.8 4,-2.3 -7,-0.4 5,-0.2 0.908 75.3 55.3 -54.7 -45.0 8.9 26.4 16.3 31 209 B X H > S+ 0 0 15 -8,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.952 112.6 41.5 -53.4 -55.2 5.6 27.1 14.4 32 210 B D H > S+ 0 0 72 2,-0.2 4,-2.8 -9,-0.2 -2,-0.2 0.878 112.8 53.1 -64.2 -40.0 7.0 30.5 13.1 33 211 B E H X S+ 0 0 65 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.894 111.2 46.8 -64.6 -36.0 10.4 29.1 12.3 34 212 B L H X S+ 0 0 7 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.942 111.4 51.5 -69.5 -43.2 8.9 26.3 10.3 35 213 B A H X S+ 0 0 40 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.924 108.6 52.2 -55.9 -44.2 6.6 28.8 8.5 36 214 B K H X S+ 0 0 82 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.890 108.8 50.5 -62.8 -38.5 9.7 30.9 7.7 37 215 B L H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.933 107.5 51.6 -65.4 -42.3 11.4 27.9 6.1 38 216 B L H < S+ 0 0 12 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.924 114.9 45.0 -59.1 -40.8 8.4 27.1 4.0 39 217 B R H >< S+ 0 0 162 -4,-2.3 3,-1.8 -5,-0.2 -2,-0.2 0.958 112.6 49.0 -64.2 -49.6 8.5 30.7 2.8 40 218 B Q H >< S+ 0 0 125 -4,-3.2 3,-1.0 1,-0.3 -2,-0.2 0.854 111.2 50.5 -61.1 -39.2 12.3 30.8 2.3 41 219 B A T 3< S+ 0 0 9 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.494 108.6 55.2 -68.8 -12.0 12.1 27.5 0.3 42 220 B X T < 0 0 96 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 -0.132 360.0 360.0-120.4 36.2 9.4 29.0 -1.8 43 221 B G < 0 0 109 -3,-1.0 -3,-0.2 0, 0.0 -2,-0.1 0.037 360.0 360.0 112.1 360.0 11.2 32.2 -2.9 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 95 0, 0.0 8,-2.4 0, 0.0 7,-0.7 0.000 360.0 360.0 360.0 93.1 12.5 14.4 18.4 46 302 C R E -C 51 0C 184 5,-0.2 2,-0.4 6,-0.2 5,-0.2 -0.736 360.0-165.4-105.3 146.0 9.6 13.8 20.8 47 303 C I E > S-C 50 0C 28 3,-2.2 3,-2.4 -2,-0.3 2,-0.1 -0.950 79.1 -57.4-122.5 101.8 6.7 15.7 22.0 48 304 C X T 3 S- 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 38,-0.0 -0.385 121.1 -18.4 56.0-129.1 5.6 13.6 25.0 49 305 C S T 3 S+ 0 0 133 -3,-0.1 2,-0.6 36,-0.1 -1,-0.3 0.498 117.0 101.3 -86.4 -3.6 4.9 10.1 23.5 50 306 C Y E < -C 47 0C 43 -3,-2.4 -3,-2.2 35,-0.2 2,-1.6 -0.711 67.5-143.8 -88.0 123.0 4.6 11.4 20.0 51 307 C D E > +C 46 0C 68 -2,-0.6 4,-2.3 1,-0.2 -5,-0.2 -0.610 26.4 171.9 -88.3 88.4 7.7 10.9 17.8 52 308 C F H > S+ 0 0 3 -2,-1.6 4,-2.6 -7,-0.7 5,-0.3 0.917 73.6 56.5 -60.9 -48.4 7.5 14.1 15.8 53 309 C X H > S+ 0 0 15 -8,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.924 111.8 42.5 -48.3 -52.8 10.9 13.5 14.1 54 310 C D H > S+ 0 0 88 -9,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.895 111.9 51.7 -71.8 -39.4 9.8 10.2 12.7 55 311 C E H X S+ 0 0 60 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.899 111.5 49.3 -64.5 -35.2 6.3 11.2 11.6 56 312 C L H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.944 110.5 49.9 -64.2 -44.7 7.8 14.2 9.7 57 313 C A H X S+ 0 0 45 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.948 111.2 49.9 -62.1 -39.9 10.4 11.9 8.1 58 314 C K H X S+ 0 0 109 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.925 110.4 49.9 -67.1 -38.6 7.6 9.5 7.1 59 315 C L H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.948 112.7 45.8 -64.7 -45.8 5.5 12.4 5.6 60 316 C L H X S+ 0 0 8 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.937 115.8 46.9 -61.7 -42.6 8.4 13.7 3.6 61 317 C R H >< S+ 0 0 159 -4,-2.5 3,-1.1 -5,-0.2 4,-0.3 0.932 114.5 45.3 -67.9 -49.2 9.4 10.3 2.3 62 318 C Q H >< S+ 0 0 122 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.892 111.0 52.4 -69.3 -33.0 5.8 9.2 1.4 63 319 C A H 3< S+ 0 0 14 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.621 110.4 50.9 -73.3 -9.0 5.0 12.5 -0.3 64 320 C X T << 0 0 98 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.327 360.0 360.0-105.8 2.9 8.2 12.0 -2.4 65 321 C G < 0 0 66 -3,-1.1 -4,-0.0 -4,-0.3 -3,-0.0 -0.798 360.0 360.0 162.5 360.0 7.3 8.5 -3.3 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 0 119 0, 0.0 8,-1.7 0, 0.0 7,-1.1 0.000 360.0 360.0 360.0 106.0 2.1 24.5 -0.3 68 402 D R E -D 73 0D 169 5,-0.2 2,-0.4 6,-0.2 5,-0.2 -0.764 360.0-174.6-107.8 147.1 1.7 21.5 -2.5 69 403 D I E > S-D 72 0D 21 3,-2.5 3,-2.8 -2,-0.3 2,-0.0 -0.885 70.6 -65.9-129.6 96.6 3.8 18.5 -3.4 70 404 D X T 3 S- 0 0 92 -2,-0.4 -1,-0.2 1,-0.3 -6,-0.0 -0.312 122.0 -6.8 58.4-131.4 1.9 16.6 -6.1 71 405 D S T 3 S+ 0 0 116 -3,-0.1 2,-0.5 -8,-0.1 -1,-0.3 0.545 118.4 97.5 -69.5 -10.5 -1.3 15.3 -4.6 72 406 D Y E < -D 69 0D 65 -3,-2.8 -3,-2.5 -9,-0.2 2,-1.4 -0.753 65.7-148.5 -92.1 133.1 -0.2 16.4 -1.1 73 407 D D E > -D 68 0D 81 -2,-0.5 4,-2.6 -5,-0.2 -5,-0.2 -0.802 26.2-175.0 -84.1 88.0 -1.3 19.6 0.6 74 408 D F H > S+ 0 0 0 -2,-1.4 4,-2.4 -7,-1.1 5,-0.2 0.873 75.4 57.0 -62.0 -39.8 2.0 19.7 2.3 75 409 D X H > S+ 0 0 21 -8,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.945 111.6 42.8 -53.2 -51.2 1.1 22.8 4.4 76 410 D D H > S+ 0 0 79 -9,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.895 111.5 54.0 -66.4 -36.5 -2.0 21.0 5.8 77 411 D E H X S+ 0 0 50 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.918 110.9 46.6 -64.5 -39.0 -0.1 17.7 6.4 78 412 D L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 110.4 52.6 -65.3 -45.9 2.5 19.5 8.4 79 413 D A H X S+ 0 0 40 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.892 106.4 55.3 -57.6 -39.7 -0.2 21.4 10.3 80 414 D K H X S+ 0 0 85 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.919 106.6 48.9 -57.4 -47.6 -1.7 18.0 11.1 81 415 D L H X S+ 0 0 14 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.898 109.9 52.6 -63.0 -37.8 1.5 16.7 12.6 82 416 D L H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.919 114.3 41.7 -58.4 -48.6 1.8 19.8 14.7 83 417 D R H X S+ 0 0 170 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.889 112.2 53.7 -70.4 -39.7 -1.6 19.5 16.1 84 418 D Q H >< S+ 0 0 104 -4,-3.0 3,-0.5 -5,-0.2 -2,-0.2 0.951 113.3 43.9 -58.1 -47.2 -1.4 15.7 16.6 85 419 D A H 3< S+ 0 0 10 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.919 113.4 49.3 -64.1 -44.4 1.7 16.1 18.6 86 420 D X H 3< 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.607 360.0 360.0 -76.4 -11.8 0.5 19.0 20.7 87 421 D G << 0 0 102 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.488 360.0 360.0 -80.2 360.0 -2.7 17.3 21.6