==== 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 TRANSFERASE 12-MAR-04 1SNU . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.BROWN,J.M.LONG,S.C.VIAL,N.DEDI,N.J.DUNSTER,S.B.RENWICK, . 486 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 13.8 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 . 4 0.8 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-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 0.2 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 . 46 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 1 0 3 0 0 0 5 0 1 2 0 1 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 2 2 3 2 1 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 2 1 1 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 1 357 A V 0 0 122 0, 0.0 67,-0.6 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 69.7 7.9 -4.6 -8.3 2 358 A I B -a 68 0A 87 65,-0.2 67,-0.2 1,-0.1 65,-0.0 -0.301 360.0-143.5 -67.9 147.3 7.2 -8.3 -7.6 3 359 A D - 0 0 2 65,-4.3 68,-0.6 -2,-0.0 67,-0.2 -0.919 3.5-154.5-115.9 126.0 9.7 -11.0 -8.4 4 360 A P - 0 0 41 0, 0.0 2,-2.5 0, 0.0 3,-0.1 -0.514 61.9 -65.3 -87.2 170.8 9.0 -14.5 -9.6 5 361 A S S S+ 0 0 106 66,-0.2 64,-0.0 1,-0.2 21,-0.0 -0.293 88.9 131.4 -58.4 80.3 11.6 -17.1 -8.9 6 362 A E + 0 0 79 -2,-2.5 21,-1.9 2,-0.0 2,-0.3 0.013 48.3 107.3-113.5 14.9 14.2 -15.4 -11.2 7 363 A L E -B 26 0A 16 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.710 61.9-148.8-100.1 147.8 16.6 -15.8 -8.3 8 364 A T E -B 25 0A 84 17,-2.0 17,-1.3 -2,-0.3 2,-0.8 -0.979 16.4-141.7-115.1 121.8 19.5 -18.1 -7.9 9 365 A F E +B 24 0A 91 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.789 30.7 164.1 -90.5 113.2 20.1 -19.2 -4.3 10 366 A V E - 0 0 60 13,-2.5 2,-0.3 -2,-0.8 14,-0.2 0.939 54.1 -13.8 -89.3 -69.6 23.9 -19.3 -3.7 11 367 A Q E -B 23 0A 125 12,-0.9 12,-3.0 2,-0.0 2,-0.5 -0.877 59.3-109.6-136.9 169.3 24.7 -19.4 -0.0 12 368 A E E +B 22 0A 93 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.876 31.6 174.1 -99.5 127.7 23.2 -18.8 3.4 13 369 A I - 0 0 87 8,-3.7 9,-0.2 -2,-0.5 2,-0.1 0.168 59.4 -5.2-126.3 24.2 24.5 -15.7 5.1 14 370 A G - 0 0 36 7,-0.5 7,-1.6 2,-0.0 -1,-0.3 -0.346 58.9-173.6 151.8 126.7 22.5 -15.3 8.3 15 371 A S + 0 0 86 5,-0.2 2,-0.2 -2,-0.1 5,-0.2 -0.321 21.9 137.2-119.8-159.4 19.5 -16.7 10.1 16 372 A G S S- 0 0 50 -2,-0.1 2,-0.8 0, 0.0 3,-0.4 -0.388 72.9 -61.5 128.0 155.4 17.1 -16.5 13.1 17 373 A Q S S+ 0 0 133 1,-0.2 21,-0.1 -2,-0.2 3,-0.1 -0.618 118.9 66.1 -79.4 115.1 13.4 -17.0 12.9 18 374 A F S S- 0 0 94 19,-0.8 -1,-0.2 -2,-0.8 20,-0.2 0.068 120.9 -60.9 151.6 19.4 11.9 -14.5 10.5 19 375 A G - 0 0 1 -3,-0.4 2,-0.3 18,-0.1 18,-0.2 -0.227 51.6 -89.5 107.1 166.2 13.8 -16.2 7.7 20 376 A L - 0 0 44 -5,-0.2 16,-2.5 -2,-0.1 2,-0.5 -0.678 36.4-131.2-105.2 162.4 17.3 -17.0 6.5 21 377 A V E - C 0 35A 32 -7,-1.6 -8,-3.7 -2,-0.3 -7,-0.5 -0.984 23.7-163.5-120.7 130.0 19.2 -14.6 4.3 22 378 A H E -BC 12 34A 36 12,-3.6 12,-2.7 -2,-0.5 2,-0.4 -0.817 21.8-127.9-114.8 152.7 20.8 -15.9 1.1 23 379 A L E +BC 11 33A 26 -12,-3.0 -13,-2.5 -2,-0.3 -12,-0.9 -0.788 53.5 145.5 -88.3 138.1 23.4 -14.6 -1.2 24 380 A G E -BC 9 32A 0 8,-2.4 8,-1.2 -2,-0.4 2,-0.3 -0.907 43.0-116.2-157.8-172.1 21.9 -14.8 -4.6 25 381 A Y E -BC 8 31A 71 -17,-1.3 -17,-2.0 -2,-0.3 2,-0.6 -0.999 10.5-150.1-141.8 140.2 21.5 -13.4 -8.1 26 382 A W E > S-BC 7 30A 48 4,-2.2 4,-0.8 -2,-0.3 -19,-0.2 -0.960 90.2 -20.5-112.6 113.5 18.6 -12.0 -10.0 27 383 A L T 4 S- 0 0 98 -21,-1.9 2,-2.3 -2,-0.6 -1,-0.1 0.624 104.1 -94.1 63.4 12.9 18.8 -12.6 -13.7 28 384 A N T 4 S+ 0 0 122 2,-0.3 -1,-0.2 -22,-0.3 -2,-0.2 -0.326 120.5 91.0 75.2 -53.5 22.6 -13.0 -13.0 29 385 A K T 4 S+ 0 0 163 -2,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.612 87.3 55.6 -45.6 -11.6 23.0 -9.3 -13.8 30 386 A D E < -C 26 0A 35 -4,-0.8 -4,-2.2 50,-0.0 2,-1.0 -0.838 65.4-154.1-143.1 112.5 22.5 -8.7 -10.1 31 387 A K E +C 25 0A 71 -2,-0.4 50,-1.8 -6,-0.2 -6,-0.3 -0.604 37.8 173.5 -77.5 102.0 24.1 -10.0 -7.0 32 388 A V E -CD 24 80A 0 -8,-1.2 -8,-2.4 -2,-1.0 2,-0.5 -0.489 35.1-125.6-106.7 173.6 21.3 -9.6 -4.4 33 389 A A E -CD 23 79A 12 46,-2.3 46,-3.7 -10,-0.2 2,-0.6 -0.992 27.2-157.9-122.6 118.7 20.7 -10.5 -0.8 34 390 A I E -CD 22 78A 0 -12,-2.7 -12,-3.6 -2,-0.5 2,-0.7 -0.884 6.7-164.2-107.4 120.1 17.5 -12.5 -0.3 35 391 A K E -CD 21 77A 53 42,-2.5 42,-2.1 -2,-0.6 -14,-0.2 -0.886 11.8-167.1-103.8 112.5 15.7 -12.6 3.0 36 392 A T E - D 0 76A 13 -16,-2.5 40,-0.2 -2,-0.7 39,-0.1 -0.384 12.2-138.8 -89.3 173.0 13.2 -15.5 3.2 37 393 A I - 0 0 14 38,-1.0 -19,-0.8 -18,-0.2 2,-0.3 0.914 18.1-131.4 -95.3 -80.6 10.5 -15.9 5.9 38 394 A R - 0 0 142 -20,-0.2 -1,-0.2 -21,-0.1 37,-0.1 -0.836 41.1 -78.4 158.5-109.6 9.8 -19.3 7.4 39 395 A E S S+ 0 0 196 -2,-0.3 3,-0.1 35,-0.1 -1,-0.1 0.352 116.6 11.6-151.2 -52.9 6.2 -20.6 7.7 40 396 A G S S+ 0 0 75 1,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.042 97.9 104.1-123.8 23.6 4.4 -19.1 10.7 41 397 A A S S+ 0 0 13 1,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.692 87.6 14.2 -78.6 -22.3 7.0 -16.5 11.3 42 398 A M S S- 0 0 29 -3,-0.1 -1,-0.2 4,-0.0 -4,-0.1 -0.963 79.5-108.2-157.1 136.5 5.0 -13.6 9.9 43 399 A S > - 0 0 54 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 -0.314 33.0-123.1 -59.0 148.6 1.4 -12.9 8.8 44 400 A E H > S+ 0 0 129 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.874 119.6 44.3 -61.0 -33.5 1.2 -12.7 5.0 45 401 A E H > S+ 0 0 141 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.851 107.0 59.5 -74.3 -40.4 -0.2 -9.3 5.7 46 402 A D H > S+ 0 0 62 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.893 113.5 36.3 -57.4 -44.2 2.4 -8.5 8.3 47 403 A F H X S+ 0 0 8 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.900 115.5 54.6 -78.7 -41.2 5.2 -8.9 5.9 48 404 A I H X S+ 0 0 63 -4,-1.8 4,-1.8 -5,-0.3 -2,-0.2 0.935 109.3 47.7 -55.5 -50.1 3.3 -7.4 2.9 49 405 A E H X S+ 0 0 124 -4,-3.1 4,-1.3 1,-0.2 -1,-0.3 0.767 115.4 48.7 -62.5 -25.8 2.5 -4.2 4.9 50 406 A E H X S+ 0 0 50 -4,-0.6 4,-2.2 -5,-0.3 -2,-0.2 0.905 106.7 51.5 -82.4 -44.3 6.2 -4.2 5.9 51 407 A A H X S+ 0 0 4 -4,-3.3 4,-1.5 2,-0.2 -2,-0.2 0.827 109.1 55.4 -62.1 -30.4 7.7 -4.7 2.4 52 408 A E H >X S+ 0 0 113 -4,-1.8 4,-0.9 -5,-0.3 3,-0.7 0.990 107.6 44.3 -67.0 -59.4 5.6 -1.8 1.2 53 409 A V H >X S+ 0 0 58 -4,-1.3 4,-1.3 1,-0.3 3,-1.0 0.888 111.4 55.9 -53.6 -39.2 6.8 0.7 3.7 54 410 A M H 3< S+ 0 0 16 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.873 107.9 48.0 -61.8 -35.5 10.3 -0.4 3.1 55 411 A M H << S+ 0 0 77 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.582 107.7 57.8 -80.7 -7.3 9.8 0.3 -0.7 56 412 A K H << S+ 0 0 167 -3,-1.0 2,-0.5 -4,-0.9 -2,-0.2 0.721 96.6 72.5 -89.9 -25.3 8.4 3.7 0.3 57 413 A L < + 0 0 22 -4,-1.3 2,-0.3 -3,-0.2 60,-0.1 -0.801 61.2 165.1 -95.9 127.0 11.6 4.7 2.1 58 414 A S + 0 0 82 -2,-0.5 5,-0.1 58,-0.1 6,-0.1 -0.957 8.1 142.7-150.4 129.3 14.6 5.5 0.1 59 415 A H > - 0 0 55 -2,-0.3 3,-2.2 3,-0.2 54,-0.1 -0.961 56.9-109.6-155.1 151.3 17.9 7.2 0.8 60 416 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.603 120.2 53.7 -61.3 -10.5 21.5 6.6 -0.4 61 417 A K T 3 S+ 0 0 25 2,-0.1 81,-2.2 80,-0.1 2,-0.4 0.283 94.2 80.1-108.3 6.8 22.3 5.4 3.1 62 418 A L B < S-f 142 0B 3 -3,-2.2 -3,-0.2 79,-0.3 2,-0.2 -0.922 91.8-104.1-112.6 142.0 19.5 2.9 3.4 63 419 A V - 0 0 11 79,-1.1 2,-0.2 -2,-0.4 -2,-0.1 -0.445 41.0-121.6 -66.2 132.5 19.9 -0.6 1.8 64 420 A Q - 0 0 122 -2,-0.2 16,-2.9 -4,-0.1 2,-0.3 -0.511 14.9-143.7 -84.8 146.9 18.0 -0.9 -1.5 65 421 A L E - E 0 79A 37 14,-0.3 14,-0.3 -2,-0.2 3,-0.1 -0.806 6.8-162.6-104.7 142.0 15.3 -3.5 -2.3 66 422 A Y E - 0 0 73 12,-4.4 2,-0.3 1,-0.4 13,-0.2 0.711 61.1 -79.5 -94.8 -25.6 14.9 -5.0 -5.7 67 423 A G E - E 0 78A 0 11,-1.2 11,-2.1 -64,-0.0 -1,-0.4 -0.970 48.8 -77.3 155.1-166.0 11.4 -6.3 -5.1 68 424 A V E -aE 2 77A 4 -67,-0.6 -65,-4.3 -2,-0.3 2,-0.6 -0.918 19.7-138.1-130.9 156.2 9.5 -9.1 -3.4 69 425 A C E + E 0 76A 9 7,-2.6 7,-1.9 -2,-0.3 -67,-0.0 -0.923 42.1 142.4-115.6 102.5 8.7 -12.7 -4.1 70 426 A L + 0 0 52 -2,-0.6 2,-1.3 -67,-0.2 -1,-0.1 0.338 44.8 104.5-114.0 -4.3 5.1 -13.5 -3.2 71 427 A E S S- 0 0 120 -68,-0.6 -66,-0.2 1,-0.2 -1,-0.1 0.020 96.1-102.6 -70.9 32.8 4.8 -15.7 -6.2 72 428 A Q S S+ 0 0 140 -2,-1.3 -1,-0.2 1,-0.2 4,-0.1 0.204 84.5 93.5 73.7 178.2 5.1 -18.4 -3.5 73 429 A A S S- 0 0 76 -3,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.251 110.9 -11.2 81.1-179.4 7.4 -20.8 -1.8 74 430 A P S S- 0 0 84 0, 0.0 -35,-0.1 0, 0.0 -5,-0.0 -0.259 92.8-124.3 -48.8 108.3 9.1 -19.2 1.2 75 431 A I - 0 0 30 -2,-0.2 -38,-1.0 -39,-0.1 2,-0.3 -0.210 41.1-171.3 -52.1 144.8 8.0 -15.6 0.5 76 432 A C E -DE 36 69A 3 -7,-1.9 -7,-2.6 -40,-0.2 2,-0.5 -0.941 32.6-130.3-149.0 169.0 11.0 -13.3 0.3 77 433 A L E -DE 35 68A 14 -42,-2.1 -42,-2.5 -2,-0.3 2,-0.8 -0.957 21.6-150.2-118.7 116.7 12.6 -9.8 0.1 78 434 A V E +DE 34 67A 0 -11,-2.1 -12,-4.4 -2,-0.5 -11,-1.2 -0.762 22.2 178.3 -90.7 110.6 15.3 -9.2 -2.6 79 435 A F E -DE 33 65A 31 -46,-3.7 -46,-2.3 -2,-0.8 2,-0.3 -0.583 38.5 -95.7-102.6 169.7 17.8 -6.6 -1.4 80 436 A E E -D 32 0A 24 -16,-2.9 2,-0.3 -48,-0.3 -48,-0.2 -0.675 50.8-106.2 -79.4 140.1 20.9 -5.3 -3.2 81 437 A F - 0 0 39 -50,-1.8 2,-0.9 -2,-0.3 -50,-0.1 -0.520 23.4-143.3 -72.8 130.0 23.9 -7.2 -1.9 82 438 A M > - 0 0 8 -2,-0.3 3,-1.3 1,-0.1 52,-0.2 -0.840 12.8-144.3 -94.7 108.1 26.1 -5.2 0.4 83 439 A E T 3 S+ 0 0 90 -2,-0.9 52,-0.2 1,-0.2 -1,-0.1 0.405 85.9 47.4 -54.3 -1.1 29.6 -6.3 -0.6 84 440 A H T 3 S- 0 0 87 50,-2.0 -1,-0.2 1,-0.3 51,-0.1 0.164 97.4-119.6-133.5 27.0 31.2 -6.2 2.9 85 441 A G < - 0 0 34 -3,-1.3 49,-2.5 49,-0.1 -1,-0.3 -0.029 60.4 -30.1 65.3-176.8 28.9 -7.9 5.5 86 442 A C B > -G 133 0B 30 47,-0.2 4,-1.4 1,-0.1 47,-0.3 -0.305 61.6-114.0 -72.1 159.3 27.4 -6.2 8.4 87 443 A L H >> S+ 0 0 0 45,-3.7 4,-3.1 42,-0.8 3,-0.9 0.946 115.0 53.3 -56.2 -55.8 29.2 -3.3 10.1 88 444 A S H 3> S+ 0 0 32 41,-1.3 4,-1.7 1,-0.3 -1,-0.2 0.871 111.1 48.8 -49.3 -40.7 29.9 -5.0 13.4 89 445 A D H 3> S+ 0 0 94 40,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.804 112.8 47.4 -70.5 -30.8 31.4 -7.8 11.4 90 446 A Y H << S+ 0 0 23 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.866 109.9 51.9 -78.0 -40.0 33.5 -5.4 9.4 91 447 A L H < S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.870 108.4 50.6 -66.3 -40.4 34.8 -3.4 12.4 92 448 A R H >< S+ 0 0 114 -4,-1.7 3,-1.0 -5,-0.3 -2,-0.2 0.987 111.9 43.5 -64.6 -64.8 36.0 -6.5 14.3 93 449 A T T 3< S+ 0 0 83 -4,-1.1 3,-0.1 1,-0.3 0, 0.0 -0.563 117.1 41.4 -71.6 154.2 38.1 -8.1 11.6 94 450 A Q T > S+ 0 0 78 1,-0.2 3,-0.6 -2,-0.1 -1,-0.3 0.702 86.6 161.6 78.7 14.9 39.9 -5.1 10.2 95 451 A R T < + 0 0 96 -3,-1.0 -1,-0.2 1,-0.2 2,-0.2 -0.442 62.3 17.8 -70.3 146.5 40.5 -3.8 13.7 96 452 A G T 3 S+ 0 0 48 -5,-0.1 -1,-0.2 -2,-0.1 -4,-0.0 -0.012 101.8 90.9 83.9 -33.1 43.2 -1.2 13.9 97 453 A L < + 0 0 130 -3,-0.6 2,-0.3 -2,-0.2 -2,-0.1 0.425 66.8 98.3 -77.9 4.6 43.2 -0.5 10.2 98 454 A F - 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