==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 26-MAY-11 3S6Y . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN SIGMA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: REOVIRUS TYPE 3; . AUTHOR D.M.REITER,T.S.DERMODY,STEHLE T. . 875 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 313 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.7 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 . 1 0.1 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 . 104 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 6 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 . 6 1 8 21 3 4 5 3 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 17 0 0 0 0 0 0 0 3 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 1 167 A N 0 0 140 0, 0.0 3,-0.1 0, 0.0 297,-0.1 0.000 360.0 360.0 360.0 139.7 -34.5 98.7 23.1 2 168 A Q + 0 0 149 1,-0.2 602,-0.1 297,-0.0 601,-0.0 0.150 360.0 103.9 64.7 -18.5 -37.3 96.2 23.6 3 169 A G S S- 0 0 0 1,-0.1 2,-0.5 600,-0.1 -1,-0.2 0.199 85.7-100.1 -69.4-166.2 -35.7 94.7 20.5 4 170 A V + 0 0 1 586,-0.4 296,-0.4 -3,-0.1 601,-0.2 -0.966 42.8 165.6-123.8 113.8 -33.4 91.7 20.4 5 171 A T + 0 0 93 599,-3.0 2,-0.3 -2,-0.5 600,-0.2 0.661 61.9 16.2-107.3 -20.7 -29.7 92.7 20.2 6 172 A S E -a 605 0A 45 598,-1.5 600,-2.2 6,-0.1 2,-0.3 -0.966 61.6-152.3-145.6 167.5 -27.8 89.4 21.0 7 173 A A E -a 606 0A 19 -2,-0.3 2,-0.2 598,-0.2 600,-0.2 -0.999 15.7-124.4-145.7 142.0 -28.5 85.7 21.2 8 174 A G > - 0 0 9 598,-2.2 3,-2.2 -2,-0.3 600,-0.1 -0.544 58.4 -51.9 -79.1 145.0 -27.2 82.6 23.1 9 175 A A T 3 S+ 0 0 35 1,-0.3 599,-0.3 -2,-0.2 611,-0.1 -0.266 122.9 32.6 -56.2 142.3 -25.9 79.6 21.1 10 176 A P T 3 S+ 0 0 3 0, 0.0 11,-2.5 0, 0.0 -1,-0.3 -0.930 113.6 71.5 -94.7 15.7 -27.1 78.0 18.9 11 177 A L E < +C 20 0B 4 -3,-2.2 2,-0.3 9,-0.2 9,-0.2 -0.684 62.6 179.1 -85.6 144.3 -28.8 81.2 17.8 12 178 A S E -C 19 0B 65 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.996 17.0-140.9-145.4 152.7 -26.6 83.9 16.2 13 179 A I E +C 18 0B 55 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.917 19.0 169.2-120.4 135.8 -27.1 87.4 14.8 14 180 A R E > S-C 17 0B 189 3,-1.9 3,-2.6 -2,-0.4 -2,-0.0 -0.985 74.9 -18.7-139.1 127.4 -25.5 89.1 11.7 15 181 A N T 3 S- 0 0 114 -2,-0.4 286,-0.1 1,-0.3 -1,-0.1 0.866 126.7 -48.2 41.1 59.6 -26.9 92.4 10.3 16 182 A N T 3 S+ 0 0 54 1,-0.1 285,-3.4 -11,-0.1 286,-1.3 0.576 116.6 114.3 65.6 7.4 -30.3 92.2 12.0 17 183 A R E < -Cd 14 302B 115 -3,-2.6 -3,-1.9 283,-0.2 2,-0.5 -0.950 53.7-151.0-119.3 122.9 -30.7 88.6 10.8 18 184 A M E +Cd 13 303B 0 284,-3.2 286,-1.8 -2,-0.5 2,-0.3 -0.765 19.4 170.6 -94.8 128.2 -31.0 85.6 13.1 19 185 A T E -C 12 0B 59 -7,-2.3 -7,-2.4 -2,-0.5 2,-0.4 -0.883 24.0-128.0-129.0 170.2 -29.8 82.1 12.1 20 186 A M E -C 11 0B 25 -2,-0.3 2,-0.5 285,-0.2 -9,-0.2 -0.942 14.4-132.5-125.4 131.4 -29.3 78.8 13.9 21 187 A G - 0 0 18 -11,-2.5 600,-3.1 598,-0.4 2,-0.5 -0.706 24.2-168.9 -88.9 127.0 -26.3 76.5 14.0 22 188 A L B -e 621 0C 48 -2,-0.5 600,-0.2 598,-0.2 2,-0.1 -0.944 12.3-152.2-121.9 131.1 -26.8 72.7 13.4 23 189 A N > - 0 0 55 598,-2.4 3,-1.8 -2,-0.5 598,-0.0 -0.407 51.2 -71.6 -75.3 164.2 -24.5 69.7 13.8 24 190 A D T 3 S+ 0 0 95 1,-0.2 599,-0.4 -2,-0.1 613,-0.3 -0.336 122.6 46.6 -50.2 139.5 -24.9 66.6 11.7 25 191 A G T 3 S+ 0 0 1 611,-1.2 11,-2.1 1,-0.2 2,-0.4 0.107 101.0 76.1 105.1 -20.0 -28.1 64.8 12.9 26 192 A L E < +G 35 0D 8 -3,-1.8 2,-0.3 9,-0.2 9,-0.2 -0.981 63.3 154.6-119.1 138.2 -30.2 67.9 12.9 27 193 A T E -G 34 0D 48 7,-2.7 7,-2.6 -2,-0.4 2,-0.4 -0.881 42.7 -88.1-151.7 176.6 -31.4 69.4 9.6 28 194 A L E +G 33 0D 85 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.834 31.4 179.6 -97.9 134.6 -33.9 71.4 7.7 29 195 A S E > -G 32 0D 54 3,-2.7 3,-3.1 -2,-0.4 2,-0.1 -0.962 67.5 -49.5-135.1 116.3 -37.1 69.8 6.4 30 196 A G T 3 S- 0 0 67 -2,-0.4 275,-0.0 1,-0.3 0, 0.0 -0.392 122.9 -27.2 48.9-123.1 -39.4 72.2 4.5 31 197 A N T 3 S+ 0 0 132 -3,-0.1 286,-0.4 -2,-0.1 -1,-0.3 0.427 124.0 89.5 -93.2 1.1 -39.7 75.0 7.0 32 198 A N E < S-G 29 0D 46 -3,-3.1 -3,-2.7 273,-0.1 2,-0.3 -0.675 76.8-113.1-111.0 154.4 -39.0 72.8 10.1 33 199 A L E +Gh 28 318D 0 284,-3.4 286,-2.8 -2,-0.2 2,-0.3 -0.630 46.7 176.4 -75.1 133.3 -36.2 71.5 12.3 34 200 A A E -G 27 0D 8 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.4 -0.955 36.5-107.6-139.0 157.3 -35.9 67.8 11.9 35 201 A I E -G 26 0D 13 285,-0.4 2,-0.5 -2,-0.3 -9,-0.2 -0.715 37.4-139.0 -79.6 133.3 -33.8 64.8 13.0 36 202 A R - 0 0 111 -11,-2.1 602,-2.4 -2,-0.4 -1,-0.0 -0.858 21.2-178.6-101.2 127.8 -31.7 63.5 10.1 37 203 A L - 0 0 37 -2,-0.5 602,-0.1 600,-0.2 8,-0.1 -0.775 11.9-159.6-126.9 86.4 -31.4 59.8 9.7 38 204 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 599,-0.1 -0.385 56.0 -11.5 -69.9 147.3 -29.2 58.9 6.7 39 205 A G S S- 0 0 63 1,-0.1 2,-0.4 600,-0.1 -2,-0.1 -0.208 97.9 -60.3 74.9-158.9 -29.6 55.4 5.3 40 206 A N + 0 0 99 1,-0.1 612,-0.2 600,-0.1 -1,-0.1 -0.886 65.8 143.8-127.1 99.3 -31.5 52.4 6.7 41 207 A T S S- 0 0 16 -2,-0.4 3,-0.1 2,-0.3 -1,-0.1 0.140 81.1 -85.6-123.1 18.8 -30.1 51.5 10.1 42 208 A G S S+ 0 0 0 1,-0.4 11,-2.8 10,-0.1 2,-0.3 0.395 97.9 112.2 94.4 -3.0 -33.3 50.6 11.8 43 209 A L E +I 52 0E 6 9,-0.2 -1,-0.4 595,-0.1 -2,-0.3 -0.786 38.1 161.4-100.8 147.5 -34.1 54.2 12.9 44 210 A N E -I 51 0E 59 7,-1.7 7,-2.2 -2,-0.3 2,-0.9 -0.987 44.7-115.8-160.1 149.9 -37.1 56.1 11.4 45 211 A I E +I 50 0E 57 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.836 62.4 136.5 -86.2 108.7 -39.4 59.1 12.0 46 212 A Q E > +I 49 0E 40 3,-2.1 3,-0.8 -2,-0.9 -2,-0.1 -0.993 49.1 20.2-156.0 153.3 -42.7 57.4 12.4 47 213 A N T 3 S- 0 0 127 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.846 132.3 -48.9 48.7 39.3 -45.9 57.5 14.6 48 214 A G T 3 S+ 0 0 15 1,-0.2 273,-0.7 272,-0.1 2,-0.3 0.600 122.7 12.2 87.9 14.1 -45.1 61.0 15.7 49 215 A G E < S-I 46 0E 0 -3,-0.8 -3,-2.1 271,-0.3 2,-0.5 -0.926 99.9 -33.0 179.5-154.0 -41.5 60.8 16.7 50 216 A L E +I 45 0E 0 282,-2.5 2,-0.3 -2,-0.3 -5,-0.2 -0.813 55.8 170.3 -99.1 128.1 -38.3 58.7 16.7 51 217 A Q E -I 44 0E 20 -7,-2.2 -7,-1.7 -2,-0.5 2,-0.3 -0.946 29.3-127.4-133.5 155.8 -38.6 54.9 16.8 52 218 A F E -I 43 0E 4 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.810 24.2-145.4-100.2 147.3 -36.4 51.8 16.4 53 219 A R + 0 0 66 -11,-2.8 601,-2.9 -2,-0.3 2,-0.4 -0.943 21.1 169.2-121.9 131.0 -37.4 49.1 13.9 54 220 A F B -j 654 0F 42 -2,-0.4 601,-0.2 599,-0.3 5,-0.1 -0.998 45.5 -93.1-143.5 136.3 -36.8 45.3 14.3 55 221 A N >> - 0 0 43 599,-3.2 4,-2.0 -2,-0.4 3,-0.6 -0.214 38.0-142.2 -43.3 121.8 -37.9 42.1 12.6 56 222 A T T 34 S+ 0 0 97 1,-0.2 -1,-0.2 2,-0.2 599,-0.0 0.724 93.3 54.6 -72.9 -23.1 -40.9 41.1 14.6 57 223 A D T 34 S+ 0 0 111 1,-0.1 -1,-0.2 3,-0.0 14,-0.1 0.768 115.9 35.8 -78.5 -28.9 -40.2 37.3 14.5 58 224 A Q T <4 S+ 0 0 44 -3,-0.6 11,-1.9 10,-0.1 2,-0.3 0.737 119.7 35.7-100.0 -27.9 -36.7 37.5 15.8 59 225 A F E < +L 68 0G 2 -4,-2.0 2,-0.3 9,-0.2 9,-0.2 -0.815 53.1 174.2-126.0 165.5 -36.9 40.3 18.4 60 226 A Q E -L 67 0G 77 7,-2.5 7,-3.4 -2,-0.3 2,-0.4 -0.965 30.0-111.7-156.8 169.4 -39.3 41.9 20.9 61 227 A I E -L 66 0G 37 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.911 25.7-179.0-109.3 133.0 -39.3 44.6 23.6 62 228 A V E > S-L 65 0G 63 3,-2.1 3,-0.5 -2,-0.4 -2,-0.0 -0.947 79.8 -16.8-135.0 114.8 -39.5 43.8 27.3 63 229 A N T 3 S- 0 0 138 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.826 127.9 -58.2 53.9 36.5 -39.6 46.8 29.7 64 230 A N T 3 S+ 0 0 14 1,-0.3 2,-0.4 272,-0.2 -1,-0.2 0.811 111.2 122.8 64.7 33.4 -38.2 48.8 26.8 65 231 A N E < -L 62 0G 44 -3,-0.5 -3,-2.1 271,-0.1 285,-0.3 -0.981 69.7-112.8-119.0 135.6 -35.2 46.7 26.3 66 232 A L E +Lm 61 350G 0 283,-2.9 285,-3.1 -2,-0.4 2,-0.3 -0.532 48.0 177.3 -64.5 124.6 -34.4 45.0 23.0 67 233 A T E -L 60 0G 9 -7,-3.4 -7,-2.5 -2,-0.3 2,-0.5 -0.934 31.1-108.3-133.6 160.5 -34.8 41.2 23.5 68 234 A L E -L 59 0G 8 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.717 31.2-125.1 -85.9 126.4 -34.6 37.9 21.6 69 235 A K > - 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