==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAR-12 4EFO . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE TBK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LI,J.LI,A.MIYAHIRA,J.SUN,Y.LIU,G.CHENG,H.LIANG . 171 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 25.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2.3 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 . 20 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 3 0 2 1 1 0 0 2 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 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 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 1 298 A P 0 0 168 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 83.1 -14.7 4.8 -45.0 2 299 A L + 0 0 89 1,-0.2 4,-0.3 104,-0.1 3,-0.0 -0.670 360.0 162.7 -66.9 -49.5 -13.3 6.0 -42.9 3 300 A G > - 0 0 42 -2,-0.2 3,-1.2 1,-0.1 4,-0.5 0.392 56.0 -94.8 76.8 141.1 -14.3 2.9 -40.8 4 301 A S G > S+ 0 0 57 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.760 122.2 59.3 -66.8 -23.8 -12.5 2.0 -37.6 5 302 A T G 3 S+ 0 0 50 1,-0.2 -1,-0.3 25,-0.1 -2,-0.1 0.788 109.6 43.2 -72.6 -27.2 -10.0 -0.4 -39.3 6 303 A S G < S+ 0 0 20 -3,-1.2 2,-2.0 -4,-0.3 -1,-0.2 0.409 85.4 102.7 -94.1 1.1 -8.7 2.4 -41.6 7 304 A D X + 0 0 36 -3,-0.5 3,-1.8 -4,-0.5 4,-0.1 -0.468 46.5 168.5 -85.9 69.1 -8.6 4.9 -38.7 8 305 A I G > + 0 0 38 -2,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.843 66.4 57.1 -57.4 -41.2 -4.9 4.6 -38.3 9 306 A L G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.635 111.7 43.3 -71.3 -12.4 -4.3 7.6 -36.0 10 307 A H G < S+ 0 0 94 -3,-1.8 21,-3.2 -6,-0.1 22,-0.3 0.171 96.3 101.2-114.6 16.0 -6.7 6.1 -33.4 11 308 A R E < +A 30 0A 43 -3,-1.8 2,-0.2 19,-0.3 19,-0.2 -0.668 45.5 179.9-100.6 156.2 -5.5 2.6 -33.7 12 309 A M E -A 29 0A 51 17,-2.9 17,-2.2 -2,-0.2 2,-0.4 -0.813 22.0-117.9-140.9 178.5 -3.2 0.8 -31.3 13 310 A V E -A 28 0A 47 -2,-0.2 2,-0.5 15,-0.2 63,-0.3 -0.993 13.8-165.6-129.8 136.2 -1.5 -2.6 -30.8 14 311 A I E -A 27 0A 2 13,-2.0 13,-3.1 -2,-0.4 2,-0.5 -0.986 20.4-136.9-116.8 127.4 -1.9 -5.2 -28.0 15 312 A H E -A 26 0A 25 -2,-0.5 67,-2.8 11,-0.2 2,-0.3 -0.742 26.4-179.2 -90.5 128.6 0.7 -8.0 -27.9 16 313 A V E -Ab 25 82A 2 9,-2.7 9,-2.7 -2,-0.5 2,-0.4 -0.903 17.7-159.6-126.1 147.6 -0.7 -11.4 -27.2 17 314 A F E -Ab 24 83A 50 65,-2.3 67,-2.8 -2,-0.3 2,-0.8 -0.966 11.8-149.7-127.9 118.9 0.9 -14.8 -26.8 18 315 A S E >> -Ab 23 84A 0 5,-3.0 5,-1.5 -2,-0.4 4,-1.4 -0.764 7.2-168.6 -87.7 113.1 -1.2 -17.9 -27.3 19 316 A L T 45S+ 0 0 72 65,-2.1 -1,-0.2 -2,-0.8 66,-0.1 0.791 83.9 59.6 -71.4 -26.8 0.2 -20.7 -25.1 20 317 A Q T 45S+ 0 0 102 64,-0.6 -1,-0.2 1,-0.2 65,-0.1 0.942 121.4 23.8 -67.6 -45.1 -2.0 -23.4 -26.7 21 318 A Q T 45S- 0 0 77 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.537 100.8-130.4 -93.0 -9.8 -0.5 -22.7 -30.2 22 319 A M T <5 + 0 0 125 -4,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.959 62.6 135.0 49.9 57.1 2.8 -21.3 -28.9 23 320 A T E < -A 18 0A 54 -5,-1.5 -5,-3.0 2,-0.0 2,-0.3 -0.987 52.2-134.5-135.0 142.9 2.4 -18.3 -31.2 24 321 A A E -A 17 0A 77 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.737 24.7-170.6 -94.9 148.2 2.8 -14.6 -30.8 25 322 A H E -A 16 0A 24 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.6 -0.996 21.3-143.7-141.1 139.1 0.1 -12.2 -32.2 26 323 A K E -A 15 0A 37 -2,-0.4 2,-0.9 -11,-0.2 -11,-0.2 -0.941 17.1-156.9-101.0 121.4 -0.2 -8.5 -32.7 27 324 A I E -A 14 0A 2 -13,-3.1 -13,-2.0 -2,-0.6 2,-0.4 -0.826 6.2-163.1 -99.6 95.0 -3.8 -7.4 -32.1 28 325 A Y E +A 13 0A 43 -2,-0.9 2,-0.3 -15,-0.2 -15,-0.2 -0.688 25.0 161.5 -78.4 134.4 -4.2 -4.2 -33.9 29 326 A I E -A 12 0A 0 -17,-2.2 -17,-2.9 -2,-0.4 2,-0.2 -0.980 44.3 -94.8-155.8 149.3 -7.4 -2.6 -32.5 30 327 A H E > -A 11 0A 18 -2,-0.3 3,-1.9 -19,-0.2 40,-0.3 -0.547 35.4-123.5 -72.1 142.8 -9.1 0.8 -32.3 31 328 A S T 3 S+ 0 0 26 -21,-3.2 40,-1.9 1,-0.3 41,-0.2 0.761 113.6 44.7 -54.5 -28.2 -8.3 2.7 -29.1 32 329 A Y T 3 S+ 0 0 139 -22,-0.3 -1,-0.3 38,-0.2 2,-0.1 0.336 85.4 112.7-102.5 5.2 -12.1 2.8 -28.4 33 330 A N < - 0 0 35 -3,-1.9 37,-2.5 1,-0.1 38,-0.2 -0.421 66.5-121.4 -67.7 156.2 -12.9 -0.8 -29.3 34 331 A T B > -E 69 0B 42 35,-0.2 4,-2.3 36,-0.1 35,-0.2 -0.433 21.2-101.1 -97.0 171.8 -14.0 -2.8 -26.3 35 332 A A H > S+ 0 0 1 33,-1.3 4,-2.5 31,-0.5 5,-0.2 0.849 123.0 61.2 -57.0 -36.5 -12.6 -5.9 -24.6 36 333 A T H > S+ 0 0 65 30,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.942 106.9 44.1 -55.2 -47.8 -15.5 -7.8 -26.3 37 334 A I H > S+ 0 0 47 29,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.893 108.8 58.7 -63.4 -40.6 -14.0 -6.8 -29.7 38 335 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.939 105.8 47.9 -52.2 -49.7 -10.5 -7.6 -28.4 39 336 A H H X S+ 0 0 35 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.892 109.8 53.3 -61.9 -37.6 -11.6 -11.2 -27.8 40 337 A E H X S+ 0 0 103 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.906 109.5 48.4 -61.1 -41.9 -13.1 -11.3 -31.3 41 338 A L H X S+ 0 0 23 -4,-2.5 4,-1.1 2,-0.2 -1,-0.2 0.841 110.8 50.5 -69.2 -33.5 -9.8 -10.2 -32.7 42 339 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 6,-0.4 0.895 108.9 52.7 -68.6 -41.0 -7.9 -12.8 -30.7 43 340 A Y H X S+ 0 0 98 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.904 101.9 59.4 -59.8 -39.9 -10.4 -15.5 -32.0 44 341 A K H < S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.3 33.3 -60.0 -34.2 -9.7 -14.4 -35.6 45 342 A Q H < S+ 0 0 83 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.734 133.6 25.3 -91.8 -24.0 -6.0 -15.3 -35.1 46 343 A T H < S- 0 0 10 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.583 87.1-132.4-116.3 -17.0 -6.2 -18.2 -32.7 47 344 A K < + 0 0 138 -4,-2.8 2,-0.7 -5,-0.4 -4,-0.2 0.640 58.5 142.2 61.3 17.5 -9.6 -19.8 -33.2 48 345 A I - 0 0 6 -6,-0.4 -1,-0.3 -9,-0.1 -2,-0.2 -0.816 59.6-116.3 -85.6 115.6 -10.0 -19.8 -29.4 49 346 A I >> - 0 0 92 -2,-0.7 3,-2.0 -3,-0.1 4,-0.5 -0.188 23.0-115.1 -53.1 142.4 -13.7 -18.9 -28.9 50 347 A S G >4 S+ 0 0 44 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.894 115.0 49.0 -49.8 -50.7 -14.1 -15.6 -27.0 51 348 A S G 34 S+ 0 0 97 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.574 107.7 57.0 -71.8 -7.2 -15.7 -17.2 -23.9 52 349 A N G <4 S+ 0 0 40 -3,-2.0 35,-2.4 34,-0.1 2,-0.6 0.440 83.1 107.0 -94.9 -3.4 -12.9 -19.8 -23.8 53 350 A Q E << -C 86 0A 15 -3,-1.8 2,-0.5 -4,-0.5 33,-0.2 -0.687 46.8-174.0 -83.9 117.5 -10.2 -17.1 -23.6 54 351 A E E -C 85 0A 65 31,-3.1 31,-2.7 -2,-0.6 2,-0.4 -0.936 15.8-147.2-105.3 131.9 -8.5 -16.7 -20.2 55 352 A L E -CD 84 62A 5 7,-0.6 7,-3.3 -2,-0.5 2,-0.4 -0.824 13.7-171.7-105.7 140.2 -6.1 -13.8 -20.1 56 353 A I E -CD 83 61A 36 27,-2.5 27,-3.0 -2,-0.4 2,-0.4 -0.992 2.8-177.7-129.7 133.9 -2.9 -13.7 -18.1 57 354 A Y E > S-CD 82 60A 42 3,-2.8 3,-1.6 -2,-0.4 25,-0.1 -0.993 72.9 -12.0-135.3 127.0 -0.6 -10.6 -17.6 58 355 A E T 3 S- 0 0 122 23,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.896 129.6 -53.1 48.9 45.7 2.6 -10.6 -15.6 59 356 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.536 118.7 99.5 75.7 8.3 1.8 -14.1 -14.2 60 357 A R E < S-D 57 0A 198 -3,-1.6 -3,-2.8 0, 0.0 -1,-0.2 -0.967 81.9 -99.5-126.2 145.1 -1.7 -13.2 -12.9 61 358 A R E -D 56 0A 174 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.3 -0.365 37.4-144.3 -59.1 135.1 -5.1 -13.8 -14.3 62 359 A L E -D 55 0A 34 -7,-3.3 2,-0.6 -2,-0.0 -7,-0.6 -0.929 12.3-165.5-110.1 119.4 -6.4 -10.6 -16.0 63 360 A V - 0 0 92 -2,-0.6 2,-0.5 -9,-0.1 -9,-0.0 -0.926 7.6-175.0-109.8 115.4 -10.1 -10.0 -15.7 64 361 A L - 0 0 21 -2,-0.6 -2,-0.0 -29,-0.0 9,-0.0 -0.941 25.0-125.6-113.8 127.0 -11.5 -7.3 -18.1 65 362 A E > - 0 0 94 -2,-0.5 3,-2.1 1,-0.1 -30,-0.4 -0.379 31.8-112.6 -62.0 145.6 -15.0 -6.1 -18.1 66 363 A P T 3 S+ 0 0 89 0, 0.0 -30,-1.8 0, 0.0 -31,-0.5 0.803 116.3 49.7 -50.1 -35.5 -16.6 -6.4 -21.6 67 364 A G T 3 S+ 0 0 49 -33,-0.2 -2,-0.1 -32,-0.2 2,-0.0 0.453 76.7 128.1 -89.7 -2.3 -16.8 -2.6 -21.9 68 365 A R < - 0 0 62 -3,-2.1 -33,-1.3 -34,-0.1 2,-0.2 -0.326 61.7-123.3 -55.3 128.1 -13.2 -1.9 -21.0 69 366 A L B > -E 34 0B 43 -35,-0.2 3,-2.1 1,-0.1 -35,-0.2 -0.510 11.1-123.2 -76.8 145.7 -11.7 0.2 -23.8 70 367 A A G > S+ 0 0 1 -37,-2.5 3,-1.8 -40,-0.3 -38,-0.2 0.845 112.6 61.8 -52.1 -38.9 -8.5 -1.0 -25.6 71 368 A Q G 3 S+ 0 0 57 -40,-1.9 -1,-0.3 1,-0.3 -39,-0.1 0.689 102.7 52.4 -65.1 -16.0 -6.8 2.2 -24.6 72 369 A H G < S+ 0 0 105 -3,-2.1 -1,-0.3 -41,-0.2 -2,-0.2 0.271 82.6 113.0-105.7 10.5 -7.3 1.1 -20.9 73 370 A F S < S- 0 0 6 -3,-1.8 3,-0.1 -4,-0.1 -4,-0.0 -0.403 84.3 -84.9 -67.9 158.6 -5.8 -2.4 -21.2 74 371 A P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 57.4 -93.6 -57.8 149.3 -2.5 -3.0 -19.4 75 372 A K - 0 0 159 -3,-0.1 2,-0.3 -61,-0.1 -61,-0.1 -0.505 51.0-171.3 -71.6 130.7 0.5 -1.9 -21.4 76 373 A T + 0 0 22 -63,-0.3 2,-0.3 -2,-0.3 -63,-0.1 -0.835 15.3 177.4-119.9 161.0 2.0 -4.7 -23.4 77 374 A T B > -F 80 0C 61 3,-1.0 3,-0.8 -2,-0.3 -63,-0.0 -0.897 50.8 -95.8-144.4 170.9 5.1 -5.3 -25.5 78 375 A E T 3 S+ 0 0 111 -2,-0.3 -53,-0.0 1,-0.2 -64,-0.0 0.805 129.9 47.8 -59.7 -27.9 6.4 -8.3 -27.4 79 376 A E T 3 S+ 0 0 161 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.606 123.1 32.5 -87.2 -13.5 8.6 -9.0 -24.3 80 377 A N B < S+F 77 0C 47 -3,-0.8 -3,-1.0 2,-0.0 -1,-0.2 -0.566 86.1 160.2-142.2 71.8 5.6 -8.5 -21.9 81 378 A P - 0 0 12 0, 0.0 2,-0.6 0, 0.0 -23,-0.5 -0.311 48.4 -99.1 -90.4 171.7 2.4 -9.7 -23.7 82 379 A I E -bC 16 57A 0 -67,-2.8 -65,-2.3 -25,-0.1 2,-0.3 -0.850 42.7-140.6 -84.6 122.4 -1.0 -10.8 -22.5 83 380 A F E -bC 17 56A 63 -27,-3.0 -27,-2.5 -2,-0.6 2,-0.5 -0.681 9.5-147.4 -84.5 140.9 -0.9 -14.6 -22.5 84 381 A V E -bC 18 55A 0 -67,-2.8 -65,-2.1 -2,-0.3 -64,-0.6 -0.939 15.8-177.5-112.1 133.7 -4.0 -16.4 -23.7 85 382 A V E - 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