==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 04-SEP-12 4GXL . COMPND 2 MOLECULE: GALECTIN-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LI,M.P.WANDEL,F.LI,Z.LIU,C.HE,J.WU,Y.SHI,F.RANDOW . 154 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 66.9 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 . 65 42.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 3 1.9 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 . 18 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 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 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 1 0 1 2 3 2 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 . 0 0 0 1 0 0 1 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 1 217 A S > 0 0 120 0, 0.0 3,-2.0 0, 0.0 139,-0.2 0.000 360.0 360.0 360.0 128.8 9.9 23.2 -3.2 2 218 A S T 3 + 0 0 40 1,-0.3 139,-0.2 140,-0.1 3,-0.1 -0.485 360.0 23.8 -59.4 128.7 8.0 22.8 0.1 3 219 A G T 3 S+ 0 0 27 137,-2.6 -1,-0.3 1,-0.3 138,-0.1 0.491 85.4 151.5 86.0 1.7 4.9 20.8 -0.8 4 220 A E < - 0 0 90 -3,-2.0 2,-0.7 136,-0.4 136,-0.5 -0.385 56.4-107.2 -57.8 143.8 6.5 19.2 -3.9 5 221 A N + 0 0 127 1,-0.1 3,-0.3 134,-0.1 134,-0.2 -0.702 39.6 177.8 -82.6 114.3 4.9 15.8 -4.5 6 222 A L > + 0 0 4 132,-2.2 3,-1.5 -2,-0.7 131,-0.3 0.164 39.5 120.7-103.1 18.7 7.5 13.1 -3.6 7 223 A Y T 3 S+ 0 0 117 131,-0.4 -1,-0.2 1,-0.3 130,-0.1 0.805 88.0 29.1 -55.3 -34.2 5.3 10.0 -4.2 8 224 A F T 3 S+ 0 0 193 -3,-0.3 2,-0.3 130,-0.1 -1,-0.3 0.304 89.3 130.9-110.7 8.3 7.8 8.7 -6.8 9 225 A Q < - 0 0 70 -3,-1.5 128,-0.4 128,-0.3 4,-0.1 -0.484 55.1-129.0 -66.9 123.9 11.0 10.2 -5.3 10 226 A H - 0 0 144 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.371 34.3 -87.6 -70.4 146.5 13.8 7.7 -5.0 11 227 A M S S+ 0 0 24 124,-0.1 121,-0.2 122,-0.1 2,-0.1 -0.848 106.5 59.6 -91.8 133.6 15.7 7.3 -1.6 12 228 A P S S- 0 0 79 0, 0.0 2,-0.4 0, 0.0 120,-0.2 0.383 72.7-179.1 -80.3 150.4 18.1 9.1 -0.9 13 229 A F E -A 131 0A 14 118,-2.9 118,-2.8 -2,-0.1 2,-0.4 -0.931 2.7-176.3-115.6 138.4 16.4 12.4 -1.2 14 230 A A E +A 130 0A 67 -2,-0.4 2,-0.4 116,-0.2 116,-0.2 -0.998 4.6 175.4-139.7 134.8 18.4 15.6 -0.5 15 231 A A E -A 129 0A 31 114,-2.8 114,-2.8 -2,-0.4 2,-0.6 -0.998 30.1-130.3-143.8 138.7 17.0 19.2 -0.5 16 232 A R E -A 128 0A 162 -2,-0.4 112,-0.3 112,-0.2 2,-0.2 -0.769 33.1-130.7 -81.3 125.5 18.2 22.7 0.2 17 233 A L - 0 0 18 110,-2.6 4,-0.0 -2,-0.6 -1,-0.0 -0.575 4.2-141.0 -72.6 138.1 15.8 24.4 2.6 18 234 A N S S+ 0 0 133 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.929 96.4 32.2 -65.1 -47.5 14.7 27.8 1.5 19 235 A T S S- 0 0 75 -3,-0.0 -1,-0.2 124,-0.0 3,-0.1 -0.964 90.1-141.4-108.6 124.3 14.9 29.1 5.0 20 236 A P - 0 0 40 0, 0.0 107,-0.2 0, 0.0 104,-0.2 -0.211 38.9 -63.2 -77.9 176.4 17.6 27.5 7.2 21 237 A M + 0 0 6 105,-2.3 105,-0.2 102,-0.5 5,-0.0 -0.097 68.6 127.3 -62.8 157.5 17.2 26.6 10.9 22 238 A G > - 0 0 14 -3,-0.1 3,-2.4 102,-0.1 77,-0.3 -0.853 67.6 -43.6 165.2 164.2 16.6 29.2 13.6 23 239 A P T 3 S+ 0 0 82 0, 0.0 77,-0.2 0, 0.0 78,-0.0 -0.232 127.3 19.3 -52.8 128.4 14.1 29.7 16.4 24 240 A G T 3 S+ 0 0 26 75,-2.4 2,-0.1 1,-0.3 76,-0.1 0.265 88.5 136.8 97.6 -10.8 10.6 29.1 15.2 25 241 A R < - 0 0 78 -3,-2.4 74,-3.0 74,-0.5 2,-0.4 -0.460 31.9-167.9 -76.2 143.4 11.5 27.0 12.1 26 242 A T E -H 98 0B 6 117,-2.2 117,-2.3 72,-0.2 2,-0.4 -0.992 10.7-174.8-133.8 136.4 9.5 23.8 11.4 27 243 A V E -HI 97 142B 0 70,-2.3 70,-3.1 -2,-0.4 2,-0.4 -0.993 8.9-163.6-126.7 135.1 10.1 21.0 9.0 28 244 A V E -HI 96 141B 0 113,-3.5 113,-2.1 -2,-0.4 2,-0.5 -0.981 5.3-164.8-122.7 136.8 7.6 18.2 8.4 29 245 A V E -HI 95 140B 0 66,-2.6 66,-2.8 -2,-0.4 2,-0.5 -0.981 8.2-172.3-115.8 122.4 8.3 14.8 6.8 30 246 A K E +HI 94 139B 13 109,-2.8 108,-3.0 -2,-0.5 109,-1.8 -0.966 28.7 113.3-115.6 131.0 5.3 12.8 5.7 31 247 A G E -HI 93 137B 0 62,-2.1 62,-3.0 -2,-0.5 2,-0.4 -0.911 55.4 -97.2-168.0-168.6 5.7 9.2 4.5 32 248 A E E -HI 92 136B 75 104,-2.5 104,-3.0 -2,-0.3 2,-0.4 -0.996 28.9-125.9-131.7 139.4 5.0 5.5 5.1 33 249 A V E - I 0 135B 3 58,-2.8 57,-1.3 -2,-0.4 102,-0.2 -0.704 35.6-111.3 -82.4 130.8 7.4 3.0 6.6 34 250 A N > - 0 0 60 100,-2.2 3,-1.8 -2,-0.4 56,-0.3 -0.318 19.3-126.3 -58.0 144.0 7.9 -0.1 4.3 35 251 A A T 3 S+ 0 0 81 54,-0.3 -1,-0.1 1,-0.3 56,-0.0 0.870 114.4 43.0 -60.4 -34.3 6.3 -3.2 5.8 36 252 A N T 3 S+ 0 0 140 53,-0.0 -1,-0.3 54,-0.0 -2,-0.1 0.080 89.2 143.4 -98.5 24.5 9.7 -4.9 5.4 37 253 A A < - 0 0 14 -3,-1.8 3,-0.1 1,-0.1 98,-0.0 -0.309 30.7-179.5 -62.8 144.0 11.7 -1.9 6.6 38 254 A K - 0 0 129 1,-0.4 22,-2.0 22,-0.1 23,-1.0 0.701 66.2 -32.6-104.2 -40.0 14.8 -2.3 8.7 39 255 A S B -B 59 0A 40 20,-0.2 95,-2.7 21,-0.2 -1,-0.4 -0.989 48.9-165.9-167.4 165.7 15.6 1.4 9.2 40 256 A F E -C 133 0A 1 18,-1.8 2,-0.3 -2,-0.3 93,-0.2 -0.956 11.2-145.6-152.5 170.2 15.6 4.9 7.9 41 257 A N E -C 132 0A 29 91,-2.5 91,-2.0 -2,-0.3 2,-0.4 -0.994 9.4-165.1-140.7 148.2 17.1 8.3 8.6 42 258 A V E -CD 131 56A 1 14,-2.3 14,-2.5 -2,-0.3 2,-0.4 -0.986 23.7-173.8-127.3 121.5 16.2 12.0 8.4 43 259 A D E -CD 130 55A 12 87,-3.5 87,-2.5 -2,-0.4 2,-0.5 -0.922 21.6-155.1-119.6 142.6 19.2 14.4 8.7 44 260 A L E -CD 129 54A 1 10,-2.5 10,-1.6 -2,-0.4 9,-1.6 -0.978 31.0-177.5-110.8 123.3 19.5 18.2 9.0 45 261 A L E -CD 128 52A 4 83,-3.0 83,-1.8 -2,-0.5 82,-1.1 -0.833 38.4-121.0-123.1 157.5 23.0 19.2 7.7 46 262 A A E >> - D 0 51A 3 5,-2.5 4,-2.5 -2,-0.3 5,-0.5 -0.883 33.4-149.6 -89.8 105.5 25.1 22.3 7.2 47 263 A G T 45S+ 0 0 16 -2,-0.8 -1,-0.1 78,-0.5 79,-0.1 0.723 86.0 46.0 -56.7 -29.9 25.6 22.0 3.5 48 264 A K T 45S+ 0 0 190 77,-0.3 -1,-0.2 1,-0.1 -2,-0.0 0.971 123.7 29.2 -79.3 -56.6 29.0 23.6 3.3 49 265 A S T 45S- 0 0 67 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.666 97.9-135.3 -76.2 -16.4 30.9 21.8 6.1 50 266 A K T <5 + 0 0 136 -4,-2.5 2,-0.2 1,-0.2 -3,-0.2 0.656 49.4 154.0 63.6 19.0 28.7 18.7 5.6 51 267 A D E < -D 46 0A 28 -5,-0.5 -5,-2.5 1,-0.1 2,-0.8 -0.530 44.4-132.1 -69.0 142.1 28.3 18.5 9.4 52 268 A I E -DE 45 70A 17 18,-2.2 18,-2.0 -7,-0.2 -7,-0.3 -0.877 22.5-176.0 -99.5 109.0 25.1 16.7 10.4 53 269 A A E S+ 0 0 2 -9,-1.6 2,-0.4 -2,-0.8 66,-0.3 0.882 75.2 16.6 -71.4 -39.4 23.4 18.8 13.1 54 270 A L E -D 44 0A 1 -10,-1.6 -10,-2.5 65,-0.1 2,-0.5 -0.968 64.2-173.2-140.6 120.7 20.6 16.4 13.7 55 271 A H E -DE 43 68A 21 13,-2.1 13,-1.4 -2,-0.4 2,-0.5 -0.972 5.8-169.5-115.0 116.6 20.5 12.7 12.7 56 272 A L E +DE 42 67A 1 -14,-2.5 -14,-2.3 -2,-0.5 11,-0.2 -0.947 10.9 173.9-111.0 120.4 17.2 11.0 13.3 57 273 A N E - E 0 66A 16 9,-2.7 9,-2.1 -2,-0.5 2,-0.3 -0.744 15.4-167.3-138.5 83.3 17.4 7.2 12.8 58 274 A P E - E 0 65A 0 0, 0.0 -18,-1.8 0, 0.0 2,-0.6 -0.575 11.0-160.0 -66.6 125.8 14.5 4.9 13.7 59 275 A R E >> -BE 39 64A 68 5,-3.1 5,-1.8 -2,-0.3 4,-0.8 -0.937 5.6-168.7-112.5 109.1 15.8 1.3 13.7 60 276 A L T 45S+ 0 0 5 -22,-2.0 -21,-0.2 -2,-0.6 -1,-0.1 0.754 78.3 62.8 -71.3 -30.0 12.9 -1.1 13.2 61 277 A N T 45S+ 0 0 98 -23,-1.0 -1,-0.2 1,-0.2 -22,-0.1 0.903 122.2 21.0 -65.0 -39.2 14.7 -4.4 14.1 62 278 A I T 45S- 0 0 92 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.393 103.2-124.5-106.3 -0.2 15.5 -3.3 17.6 63 279 A K T <5 + 0 0 101 -4,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.941 59.7 146.3 51.7 54.2 12.7 -0.6 17.9 64 280 A A E < -E 59 0A 13 -5,-1.8 -5,-3.1 -7,-0.1 2,-0.8 -0.945 45.2-149.3-121.9 139.2 15.2 2.1 18.9 65 281 A F E -E 58 0A 0 15,-0.4 2,-0.4 -2,-0.4 -5,-0.0 -0.891 25.3-165.0-109.5 97.8 15.0 5.8 17.9 66 282 A V E -E 57 0A 0 -9,-2.1 -9,-2.7 -2,-0.8 2,-0.4 -0.699 9.3-175.4 -91.5 132.4 18.6 6.8 17.7 67 283 A R E +EF 56 79A 9 12,-2.1 12,-2.8 -2,-0.4 2,-0.3 -0.984 17.4 139.9-124.4 141.3 19.6 10.5 17.6 68 284 A N E -E 55 0A 6 -13,-1.4 -13,-2.1 -2,-0.4 2,-0.3 -0.939 37.9-122.8-160.4 178.2 23.2 11.9 17.1 69 285 A S E - 0 0 1 -2,-0.3 7,-2.1 -15,-0.2 2,-0.6 -0.978 9.5-147.1-133.0 148.3 25.3 14.6 15.4 70 286 A F E +EG 52 75A 59 -18,-2.0 -18,-2.2 -2,-0.3 2,-0.4 -0.917 33.7 164.4-116.8 99.1 28.3 14.2 13.0 71 287 A L E > + G 0 74A 38 3,-2.0 3,-1.0 -2,-0.6 -2,-0.1 -0.961 61.7 0.7-125.6 134.9 30.6 17.1 13.8 72 288 A Q T 3 S- 0 0 165 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.923 130.7 -58.0 53.4 47.3 34.2 17.5 12.7 73 289 A E T 3 S+ 0 0 171 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.695 117.9 99.8 55.2 30.8 34.0 14.1 10.9 74 290 A S E < S-G 71 0A 75 -3,-1.0 -3,-2.0 0, 0.0 2,-0.2 -0.996 70.7-123.8-142.4 136.9 33.1 12.2 14.0 75 291 A W E -G 70 0A 115 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.536 32.2-143.2 -69.1 142.4 29.8 10.8 15.4 76 292 A G - 0 0 39 -7,-2.1 2,-0.4 -2,-0.2 -1,-0.1 0.021 41.0 -52.7 -87.6-160.8 29.0 12.0 18.9 77 293 A E - 0 0 168 1,-0.1 -1,-0.2 -9,-0.0 -8,-0.1 -0.686 63.2-120.5 -78.8 127.4 27.3 10.3 21.8 78 294 A E - 0 0 74 -2,-0.4 2,-0.5 -10,-0.1 -10,-0.2 -0.320 14.3-146.9 -69.0 147.3 24.0 8.7 20.8 79 295 A E B +F 67 0A 59 -12,-2.8 -12,-2.1 1,-0.1 -1,-0.0 -0.984 29.8 157.0-112.8 124.7 20.7 9.7 22.5 80 296 A R + 0 0 100 -2,-0.5 -15,-0.4 -14,-0.2 -1,-0.1 0.426 21.4 129.7-127.0 -4.4 18.2 6.8 22.7 81 297 A N + 0 0 144 -17,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.332 30.5 166.7 -58.8 132.9 15.8 7.6 25.5 82 298 A I - 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