==== 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 3S6X . COMPND 2 MOLECULE: OUTER CAPSID PROTEIN SIGMA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: REOVIRUS TYPE 3; . AUTHOR D.M.REITER,T.S.DERMODY,T.STEHLE . 876 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 316 36.1 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 . 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 . 115 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 7 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 0 7 23 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 18 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 1 166 A L 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.7 34.2 -102.6 23.9 2 167 A N + 0 0 62 1,-0.1 298,-0.0 2,-0.1 589,-0.0 -0.989 360.0 168.1-144.8 132.4 33.8 -99.0 22.6 3 168 A Q + 0 0 142 -2,-0.3 602,-0.1 588,-0.1 -1,-0.1 0.173 53.3 99.6-127.0 13.7 35.8 -95.9 23.2 4 169 A G S S- 0 0 0 1,-0.1 2,-0.6 600,-0.1 296,-0.1 -0.013 82.1 -82.8 -89.3-167.0 34.4 -93.6 20.5 5 170 A V + 0 0 0 588,-0.4 601,-0.2 586,-0.3 588,-0.1 -0.913 43.2 165.5-105.1 118.4 31.9 -90.9 20.3 6 171 A T + 0 0 84 599,-2.5 2,-0.3 -2,-0.6 600,-0.2 0.480 66.7 18.9-112.3 -6.8 28.3 -92.1 20.1 7 172 A S E -a 606 0A 44 598,-1.3 600,-2.2 6,-0.0 2,-0.3 -0.982 62.4-162.2-156.3 161.1 26.4 -88.9 21.0 8 173 A A E -a 607 0A 19 -2,-0.3 2,-0.3 598,-0.2 600,-0.2 -0.994 19.1-120.4-146.2 146.8 27.0 -85.1 21.1 9 174 A G > - 0 0 9 598,-2.5 3,-2.1 -2,-0.3 600,-0.1 -0.653 55.7 -53.8 -87.4 145.6 25.5 -82.0 22.6 10 175 A A T 3 S+ 0 0 35 1,-0.4 599,-0.4 -2,-0.3 611,-0.1 -0.170 121.6 36.0 -48.0 145.2 24.3 -79.1 20.6 11 176 A P T 3 S+ 0 0 3 0, 0.0 11,-2.5 0, 0.0 -1,-0.4 -0.946 114.9 71.1 -87.4 16.1 25.5 -77.4 18.5 12 177 A L E < +C 21 0B 5 -3,-2.1 2,-0.3 9,-0.2 9,-0.2 -0.706 61.4 177.7 -87.6 143.4 27.2 -80.6 17.5 13 178 A S E -C 20 0B 66 7,-2.4 7,-2.7 -2,-0.3 2,-0.4 -0.993 17.2-142.6-144.4 151.7 25.1 -83.4 15.9 14 179 A I E +C 19 0B 55 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.931 19.2 169.1-118.3 132.8 25.9 -86.8 14.5 15 180 A R E > S-C 18 0B 188 3,-2.2 3,-1.6 -2,-0.4 -2,-0.0 -0.973 74.8 -14.8-140.8 123.8 24.4 -88.6 11.5 16 181 A N T 3 S- 0 0 120 -2,-0.4 286,-0.1 1,-0.3 3,-0.1 0.900 127.5 -51.0 49.8 51.6 25.9 -91.8 10.1 17 182 A N T 3 S+ 0 0 50 1,-0.2 285,-2.9 284,-0.1 286,-1.4 0.594 116.5 114.9 66.9 10.8 29.2 -91.6 11.9 18 183 A R E < -Cd 15 303B 113 -3,-1.6 -3,-2.2 283,-0.2 2,-0.4 -0.955 53.7-150.1-118.5 126.1 29.7 -88.0 10.7 19 184 A M E +Cd 14 304B 0 284,-2.3 286,-2.5 -2,-0.5 2,-0.3 -0.738 18.6 172.2 -95.6 134.9 29.7 -85.0 13.0 20 185 A T E -C 13 0B 60 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.4 -0.875 23.5-131.6-131.6 171.5 28.5 -81.5 12.0 21 186 A M E -C 12 0B 20 285,-0.3 2,-0.4 -2,-0.3 -9,-0.2 -0.984 15.2-136.0-128.7 129.2 27.9 -78.2 13.8 22 187 A G - 0 0 18 -11,-2.5 600,-3.1 598,-0.5 2,-0.4 -0.705 23.2-167.6 -87.2 135.9 24.8 -76.0 13.4 23 188 A L B -e 622 0C 45 -2,-0.4 600,-0.2 598,-0.3 2,-0.1 -0.986 11.0-149.6-130.9 130.2 25.4 -72.2 13.0 24 189 A N > - 0 0 46 598,-3.2 3,-2.0 -2,-0.4 598,-0.1 -0.398 49.6 -72.1 -77.3 164.2 23.1 -69.2 13.2 25 190 A D T 3 S+ 0 0 93 1,-0.2 599,-0.4 -2,-0.1 613,-0.3 -0.360 122.6 50.2 -52.8 137.0 23.6 -66.0 11.3 26 191 A G T 3 S+ 0 0 0 611,-1.0 11,-2.4 1,-0.2 2,-0.4 -0.048 101.9 70.9 114.3 -28.6 26.5 -64.3 12.8 27 192 A L E < +G 36 0D 9 -3,-2.0 2,-0.3 9,-0.3 9,-0.2 -0.964 64.0 163.3-121.5 139.8 28.7 -67.3 12.7 28 193 A T E -G 35 0D 51 7,-2.8 7,-3.0 -2,-0.4 2,-0.6 -0.916 40.7 -94.5-150.5 165.7 30.1 -68.7 9.5 29 194 A L E -G 34 0D 82 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.822 30.5-174.4 -89.6 123.6 32.6 -70.9 7.8 30 195 A S E > -G 33 0D 52 3,-3.6 3,-2.8 -2,-0.6 2,-0.3 -0.940 67.1 -54.3-117.2 106.2 35.8 -69.1 6.7 31 196 A G T 3 S- 0 0 70 -2,-0.6 275,-0.1 1,-0.3 -2,-0.0 -0.486 122.2 -23.4 59.1-121.0 37.9 -71.6 4.7 32 197 A N T 3 S+ 0 0 133 -2,-0.3 286,-0.4 -3,-0.1 -1,-0.3 0.436 125.8 89.8 -93.5 0.6 38.2 -74.5 7.2 33 198 A N E < S-G 30 0D 46 -3,-2.8 -3,-3.6 273,-0.1 2,-0.4 -0.650 77.4-115.7-108.6 153.8 37.5 -72.2 10.2 34 199 A L E +Gh 29 319D 0 284,-2.8 286,-2.7 -2,-0.2 2,-0.3 -0.693 44.9 178.5 -77.3 132.0 34.7 -70.9 12.3 35 200 A A E -G 28 0D 8 -7,-3.0 -7,-2.8 -2,-0.4 2,-0.5 -0.956 35.6-110.6-136.7 153.8 34.4 -67.1 11.9 36 201 A I E -G 27 0D 11 285,-0.4 2,-0.5 -2,-0.3 -9,-0.3 -0.751 37.9-136.2 -78.9 123.6 32.3 -64.2 13.1 37 202 A R - 0 0 110 -11,-2.4 602,-2.7 -2,-0.5 600,-0.0 -0.735 23.8-179.8 -86.0 126.4 30.3 -62.9 10.1 38 203 A L - 0 0 37 -2,-0.5 602,-0.1 600,-0.2 8,-0.1 -0.744 14.5-157.9-125.7 82.8 30.2 -59.1 9.7 39 204 A P - 0 0 13 0, 0.0 3,-0.2 0, 0.0 598,-0.1 -0.230 55.9 -15.7 -62.9 150.3 28.2 -58.2 6.6 40 205 A G S S- 0 0 59 1,-0.1 2,-0.4 596,-0.1 -2,-0.1 -0.140 100.5 -59.8 61.5-152.1 28.7 -54.8 5.0 41 206 A N + 0 0 98 1,-0.1 612,-0.2 600,-0.1 -1,-0.1 -0.862 65.4 145.1-133.1 99.1 30.6 -52.0 6.8 42 207 A T S S- 0 0 18 -2,-0.4 3,-0.1 2,-0.3 -1,-0.1 0.132 80.1 -82.6-122.1 18.7 28.9 -51.0 10.1 43 208 A G S S+ 0 0 0 1,-0.4 11,-3.1 10,-0.1 2,-0.3 0.344 97.2 113.4 98.8 -5.5 32.0 -50.1 12.1 44 209 A L E +I 53 0E 6 9,-0.2 -1,-0.4 595,-0.1 2,-0.3 -0.783 38.1 163.6 -97.5 145.4 32.8 -53.7 13.2 45 210 A N E -I 52 0E 56 7,-2.1 7,-2.4 -2,-0.3 2,-0.8 -0.988 42.9-119.2-157.1 147.1 36.0 -55.5 12.0 46 211 A I E +I 51 0E 55 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.842 62.8 129.4 -83.8 113.2 38.2 -58.4 12.7 47 212 A Q E > +I 50 0E 46 3,-2.9 3,-2.0 -2,-0.8 -2,-0.1 -0.979 49.0 29.3-160.0 160.2 41.6 -56.7 13.5 48 213 A N T 3 S- 0 0 122 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.797 134.2 -50.9 52.7 29.6 44.4 -56.7 16.0 49 214 A G T 3 S+ 0 0 20 1,-0.2 273,-1.0 286,-0.1 -1,-0.3 0.440 122.0 14.9 93.2 1.7 43.6 -60.3 16.8 50 215 A G E < S-I 47 0E 0 -3,-2.0 -3,-2.9 271,-0.3 2,-0.4 -0.922 98.2 -33.8-172.9-162.0 39.8 -60.1 17.4 51 216 A L E +I 46 0E 1 282,-2.3 2,-0.3 -2,-0.3 -5,-0.2 -0.675 58.3 167.3 -84.7 126.5 36.5 -58.2 17.1 52 217 A Q E -I 45 0E 14 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.4 -0.945 32.5-125.8-135.2 159.0 36.8 -54.5 17.4 53 218 A F E -I 44 0E 3 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.858 24.5-146.0-101.7 140.9 34.7 -51.4 16.9 54 219 A R + 0 0 64 -11,-3.1 601,-2.6 -2,-0.4 2,-0.3 -0.916 21.3 169.8-114.2 135.1 36.0 -48.6 14.6 55 220 A F B -j 655 0F 38 -2,-0.4 601,-0.2 599,-0.3 2,-0.1 -0.993 44.4 -92.2-142.1 144.8 35.3 -44.8 15.1 56 221 A N >> - 0 0 43 599,-2.6 4,-2.4 -2,-0.3 3,-0.7 -0.372 33.7-148.0 -52.8 124.5 36.6 -41.6 13.6 57 222 A T T 34 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.2 599,-0.0 0.537 93.1 57.3 -82.1 -6.1 39.4 -40.5 16.0 58 223 A D T 34 S+ 0 0 121 1,-0.0 -1,-0.2 14,-0.0 3,-0.1 0.595 120.0 28.2 -92.9 -14.6 38.8 -36.8 15.5 59 224 A Q T <4 S+ 0 0 43 -3,-0.7 11,-3.0 1,-0.1 2,-0.3 0.664 122.0 40.8-116.5 -28.8 35.2 -37.1 16.6 60 225 A F E < +L 69 0G 1 -4,-2.4 2,-0.3 9,-0.3 9,-0.2 -0.828 51.6 175.4-125.0 160.6 35.2 -40.0 19.0 61 226 A Q E -L 68 0G 68 7,-2.6 7,-3.0 -2,-0.3 2,-0.5 -0.966 30.4-115.5-153.4 163.9 37.3 -41.6 21.8 62 227 A I E -L 67 0G 39 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.927 28.7-179.9-108.3 123.9 37.0 -44.5 24.2 63 228 A V E > S-L 66 0G 62 3,-2.4 3,-1.2 -2,-0.5 -2,-0.0 -0.985 77.0 -13.7-126.8 121.6 36.8 -43.7 27.9 64 229 A N T 3 S- 0 0 135 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.923 129.5 -57.9 48.2 46.4 36.5 -46.5 30.4 65 230 A N T 3 S+ 0 0 10 1,-0.2 2,-0.4 272,-0.2 -1,-0.3 0.768 113.4 125.6 54.7 29.3 35.7 -48.7 27.4 66 231 A N E < -L 63 0G 38 -3,-1.2 -3,-2.4 271,-0.1 2,-0.4 -0.938 69.7-112.3-114.1 140.6 32.7 -46.4 26.6 67 232 A L E +Lm 62 351G 0 283,-2.0 285,-3.1 -2,-0.4 2,-0.3 -0.593 47.7 178.0 -68.0 124.0 32.1 -44.6 23.3 68 233 A T E -L 61 0G 18 -7,-3.0 -7,-2.6 -2,-0.4 2,-0.2 -0.981 31.2-112.4-135.3 142.0 32.6 -40.9 24.0 69 234 A L E -L 60 0G 3 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.3 -0.478 36.6-113.6 -67.4 137.2 32.5 -37.7 22.0 70 235 A K > - 0 0 51 -11,-3.0 3,-1.5 -2,-0.2 4,-0.2 -0.617 19.3-137.1 -68.5 128.4 35.8 -35.9 21.6 71 236 A T G > S+ 0 0 101 -2,-0.4 3,-0.9 1,-0.3 4,-0.4 0.719 101.0 65.1 -60.5 -20.1 35.5 -32.6 23.4 72 237 A T G >> S+ 0 0 60 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.757 78.2 78.6 -76.0 -26.1 37.2 -30.9 20.5 73 238 A V G <4 S+ 0 0 30 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.635 102.1 42.2 -59.0 -10.6 34.4 -31.7 18.0 74 239 A F G X> S+ 0 0 27 -3,-0.9 4,-2.3 -4,-0.2 3,-0.9 0.608 88.4 90.5-107.4 -19.3 32.7 -28.7 19.7 75 240 A D H <> S+ 0 0 81 -3,-1.1 4,-2.5 -4,-0.4 5,-0.2 0.860 83.4 55.1 -49.3 -48.4 35.6 -26.3 19.9 76 241 A S H 3X S+ 0 0 81 -4,-0.7 4,-1.5 2,-0.2 -1,-0.3 0.891 113.7 43.3 -51.9 -43.3 35.0 -24.7 16.6 77 242 A I H X> S+ 0 0 7 -3,-0.9 4,-2.4 2,-0.2 3,-0.5 0.986 114.6 45.3 -67.3 -61.8 31.5 -23.9 17.6 78 243 A N H 3X S+ 0 0 55 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.787 110.7 58.3 -55.0 -28.7 32.1 -22.7 21.2 79 244 A S H 3X S+ 0 0 83 -4,-2.5 4,-1.3 -5,-0.4 -1,-0.3 0.931 108.5 43.3 -65.6 -46.6 35.0 -20.7 19.7 80 245 A R H < S+ 0 0 3 -4,-1.2 3,-1.1 2,-0.1 -2,-0.2 0.924 114.4 53.2 -75.6 -48.0 30.4 -13.0 19.7 85 250 A E H 3< S+ 0 0 50 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.906 97.1 64.8 -54.7 -48.6 29.5 -13.2 23.4 86 251 A Q T 3< S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.776 122.8 9.3 -49.7 -31.2 32.7 -11.4 24.7 87 252 A S S < S+ 0 0 23 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.3 -0.676 85.1 120.3-158.5 97.1 31.6 -8.2 22.9 88 253 A Y - 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