==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-FEB-10 2KUD . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE PKNB; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.BARTHE,G.MUKAMOLOVA,C.ROUMESTAND,M.COHEN-GONSAUD . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 10.2 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 . 0 0.0 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 . 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 . 19 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 1 0 0 0 0 0 1 1 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 1 0 1 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 . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 1 355 A G 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-134.0 -39.8 18.6 0.6 2 356 A I - 0 0 152 2,-0.0 2,-0.2 3,-0.0 0, 0.0 -0.885 360.0-168.9-121.7 153.1 -38.3 15.7 2.5 3 357 A T - 0 0 90 -2,-0.3 2,-1.1 2,-0.0 0, 0.0 -0.572 44.6 -73.0-123.6-173.4 -37.9 12.1 1.7 4 358 A R + 0 0 190 -2,-0.2 54,-0.6 54,-0.1 2,-0.5 -0.777 57.4 165.2 -92.8 100.6 -36.9 9.1 3.8 5 359 A D E +A 57 0A 72 -2,-1.1 2,-0.3 52,-0.2 52,-0.3 -0.982 6.3 171.8-115.7 127.8 -33.2 9.4 4.4 6 360 A V E -A 56 0A 70 50,-3.3 50,-3.0 -2,-0.5 2,-0.4 -0.894 32.9-113.2-131.3 158.5 -31.6 7.3 7.1 7 361 A Q - 0 0 123 -2,-0.3 46,-0.2 48,-0.3 48,-0.2 -0.782 27.2-140.2 -95.7 137.3 -28.1 6.5 8.1 8 362 A V - 0 0 10 44,-2.6 46,-0.1 46,-0.5 15,-0.0 -0.864 20.1-116.6-104.4 124.5 -26.8 3.1 7.6 9 363 A P - 0 0 104 0, 0.0 2,-0.1 0, 0.0 44,-0.0 -0.286 32.4-112.0 -58.0 142.6 -24.6 1.4 10.3 10 364 A D - 0 0 30 1,-0.1 38,-0.0 38,-0.0 35,-0.0 -0.424 7.8-146.4 -77.7 150.0 -21.1 0.5 9.3 11 365 A V > + 0 0 7 -2,-0.1 3,-1.2 36,-0.1 34,-0.3 -0.104 45.5 152.8-106.8 31.9 -19.9 -3.1 9.0 12 366 A R T 3 + 0 0 161 1,-0.2 34,-0.2 34,-0.1 3,-0.1 -0.397 56.8 38.5 -64.4 134.0 -16.4 -2.1 10.3 13 367 A G T 3 S+ 0 0 68 32,-3.5 -1,-0.2 1,-0.5 2,-0.2 0.374 106.2 78.5 103.2 -0.1 -14.6 -5.0 12.0 14 368 A Q S < S- 0 0 90 -3,-1.2 31,-3.4 31,-0.4 -1,-0.5 -0.631 89.1 -74.2-128.2-176.9 -15.9 -7.6 9.6 15 369 A S B > -B 44 0B 27 29,-0.3 4,-1.6 -2,-0.2 29,-0.2 -0.281 39.4-110.5 -81.3 168.4 -15.0 -8.7 6.1 16 370 A S H > S+ 0 0 23 27,-0.9 4,-2.7 1,-0.2 5,-0.1 0.874 121.1 57.1 -63.1 -34.8 -15.8 -6.9 2.9 17 371 A A H > S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.883 102.4 55.1 -62.9 -39.3 -18.3 -9.7 2.1 18 372 A D H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 110.0 46.3 -59.6 -42.8 -20.1 -9.0 5.4 19 373 A A H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.947 112.0 50.4 -64.2 -46.9 -20.4 -5.4 4.3 20 374 A I H X S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.918 114.0 44.7 -58.4 -46.3 -21.6 -6.4 0.9 21 375 A A H X S+ 0 0 47 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.936 112.7 50.3 -65.4 -47.0 -24.2 -8.8 2.3 22 376 A T H X S+ 0 0 50 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.931 114.6 42.9 -60.9 -47.5 -25.5 -6.4 5.0 23 377 A L H X>S+ 0 0 8 -4,-2.6 5,-2.5 1,-0.2 4,-0.7 0.919 113.2 53.6 -64.6 -39.5 -26.0 -3.5 2.5 24 378 A Q H ><5S+ 0 0 111 -4,-2.3 3,-0.9 -5,-0.3 -2,-0.2 0.900 106.3 52.8 -61.1 -42.9 -27.5 -5.9 0.0 25 379 A N H 3<5S+ 0 0 129 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.8 48.7 -63.0 -33.7 -30.0 -7.1 2.7 26 380 A R H 3<5S- 0 0 171 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.544 122.9-107.4 -83.8 -10.2 -31.0 -3.5 3.3 27 381 A G T <<5S+ 0 0 28 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.426 73.9 138.4 100.0 0.3 -31.4 -2.9 -0.4 28 382 A F < - 0 0 4 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.3 -0.426 48.9-131.0 -78.1 151.1 -28.3 -0.8 -0.8 29 383 A K E -c 61 0C 102 31,-3.0 33,-3.1 -2,-0.1 2,-0.4 -0.790 21.7-153.8-102.1 147.2 -26.0 -1.2 -3.7 30 384 A I E -c 62 0C 36 -2,-0.4 2,-0.5 31,-0.2 33,-0.2 -0.961 12.2-162.6-128.7 141.7 -22.4 -1.6 -3.2 31 385 A R E -c 63 0C 171 31,-2.2 33,-3.2 -2,-0.4 2,-0.6 -0.988 16.2-146.3-118.6 128.0 -19.4 -0.9 -5.2 32 386 A T E -c 64 0C 51 -2,-0.5 2,-0.6 31,-0.2 33,-0.2 -0.860 11.4-167.4 -99.7 123.9 -16.2 -2.5 -4.2 33 387 A L E -c 65 0C 61 31,-3.2 33,-3.2 -2,-0.6 2,-0.4 -0.950 9.4-175.2-111.6 119.6 -13.1 -0.5 -4.9 34 388 A Q E +c 66 0C 112 -2,-0.6 33,-0.3 31,-0.2 31,-0.0 -0.932 4.9 179.0-119.2 141.3 -9.9 -2.4 -4.6 35 389 A K E -c 67 0C 89 31,-1.2 33,-0.8 -2,-0.4 2,-0.4 -0.999 25.6-141.4-139.4 134.9 -6.4 -1.1 -4.8 36 390 A P E + 0 0 68 0, 0.0 2,-0.3 0, 0.0 33,-0.1 -0.844 49.4 150.9 -82.7 134.2 -2.9 -2.7 -4.5 37 391 A D E -c 70 0C 38 32,-1.4 34,-2.2 -2,-0.4 3,-0.3 -0.865 61.9-111.6-154.4-176.7 -0.9 -0.1 -2.6 38 392 A S S S+ 0 0 52 -2,-0.3 2,-1.2 1,-0.2 -1,-0.1 0.809 116.7 48.7 -92.4 -41.1 1.9 0.8 -0.3 39 393 A T S S+ 0 0 117 -3,-0.1 -1,-0.2 31,-0.0 55,-0.0 -0.710 87.6 177.0-101.8 74.5 -0.4 2.0 2.4 40 394 A I - 0 0 71 -2,-1.2 3,-0.1 -3,-0.3 27,-0.0 -0.751 21.3-155.7 -88.6 121.0 -2.6 -1.1 2.3 41 395 A P - 0 0 47 0, 0.0 26,-0.2 0, 0.0 -4,-0.1 -0.586 39.5 -92.0 -75.5 157.4 -5.6 -1.6 4.6 42 396 A P - 0 0 70 0, 0.0 25,-0.3 0, 0.0 4,-0.2 -0.305 36.4-103.7 -68.6 160.9 -6.6 -5.3 5.2 43 397 A D S S+ 0 0 96 23,-0.2 -27,-0.9 2,-0.1 2,-0.2 0.549 102.1 84.1 -63.6 -6.9 -9.3 -7.0 3.0 44 398 A H B S-B 15 0B 93 -29,-0.2 2,-0.7 -28,-0.1 -29,-0.3 -0.479 98.0 -91.6 -90.6 166.7 -11.6 -6.6 5.9 45 399 A V + 0 0 5 -31,-3.4 -32,-3.5 -34,-0.3 -31,-0.4 -0.721 52.2 155.1 -87.1 117.8 -13.6 -3.5 6.6 46 400 A I S S+ 0 0 114 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.631 72.4 9.9-106.4 -28.6 -11.7 -1.2 8.9 47 401 A G - 0 0 40 18,-0.2 -1,-0.4 -3,-0.2 18,-0.2 -0.921 67.4-149.0-146.7 168.2 -13.3 2.0 7.8 48 402 A T - 0 0 55 -2,-0.3 16,-0.1 -3,-0.1 -38,-0.0 -0.663 29.1 -87.3-132.6-177.8 -16.2 3.0 5.7 49 403 A D >> - 0 0 51 14,-0.3 3,-2.6 -2,-0.2 4,-0.5 -0.821 34.5-120.2-100.9 138.8 -17.3 5.8 3.5 50 404 A P H 3> S+ 0 0 90 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.734 106.5 76.9 -44.9 -29.5 -19.1 8.9 5.0 51 405 A A H 34 S+ 0 0 27 1,-0.2 -43,-0.2 2,-0.2 9,-0.1 0.768 90.4 55.8 -55.6 -28.4 -22.1 8.1 2.7 52 406 A A H <4 S+ 0 0 4 -3,-2.6 -44,-2.6 1,-0.2 -1,-0.2 0.939 110.5 40.7 -72.3 -46.7 -23.0 5.3 5.2 53 407 A N H < S+ 0 0 78 -4,-0.5 2,-0.3 -3,-0.3 -2,-0.2 0.556 101.5 88.1 -81.4 -6.8 -23.2 7.6 8.3 54 408 A T S < S- 0 0 78 -4,-1.2 2,-0.8 -46,-0.1 -46,-0.5 -0.638 96.5-103.1 -86.0 147.7 -24.9 10.3 6.4 55 409 A S + 0 0 66 -2,-0.3 -48,-0.3 -48,-0.2 2,-0.3 -0.666 59.5 160.4 -74.4 112.8 -28.6 10.1 6.2 56 410 A V E -A 6 0A 18 -50,-3.0 -50,-3.3 -2,-0.8 2,-0.2 -0.829 47.7 -78.6-128.7 165.1 -29.3 8.7 2.7 57 411 A S E > -A 5 0A 43 -52,-0.3 3,-0.9 -2,-0.3 2,-0.5 -0.471 54.5-103.7 -69.2 134.1 -32.1 7.1 1.0 58 412 A A T 3 S+ 0 0 70 -54,-0.6 -1,-0.1 1,-0.3 -54,-0.1 -0.459 112.2 36.5 -61.9 112.0 -32.4 3.4 1.9 59 413 A G T 3 S+ 0 0 25 -2,-0.5 -1,-0.3 -30,-0.1 -2,-0.1 0.610 85.7 138.2 112.5 24.2 -31.1 1.6 -1.1 60 414 A D < - 0 0 67 -3,-0.9 -31,-3.0 -32,-0.1 2,-0.5 -0.100 59.5 -89.3 -84.0-169.1 -28.4 4.1 -2.0 61 415 A E E -c 29 0C 140 -33,-0.2 2,-0.5 -31,-0.1 -31,-0.2 -0.925 35.5-166.2-115.1 125.1 -24.9 3.1 -3.2 62 416 A I E -c 30 0C 7 -33,-3.1 -31,-2.2 -2,-0.5 2,-0.5 -0.927 12.0-144.3-111.4 125.6 -22.1 2.5 -0.8 63 417 A T E -c 31 0C 39 -2,-0.5 2,-0.6 -33,-0.2 -14,-0.3 -0.775 11.2-154.7 -89.6 130.7 -18.6 2.2 -1.9 64 418 A V E -c 32 0C 13 -33,-3.2 -31,-3.2 -2,-0.5 2,-0.6 -0.944 6.1-148.3-108.7 118.8 -16.5 -0.2 -0.0 65 419 A N E +c 33 0C 89 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.2 -0.800 27.8 162.1 -92.4 121.6 -12.8 0.4 -0.0 66 420 A V E -c 34 0C 16 -33,-3.2 -31,-1.2 -2,-0.6 2,-0.5 -0.934 25.6-144.8-134.0 152.6 -10.7 -2.7 0.1 67 421 A S E -c 35 0C 9 -2,-0.3 2,-0.6 -25,-0.3 -33,-0.1 -0.989 6.4-163.1-126.7 130.8 -7.1 -3.3 -0.7 68 422 A T E - 0 0 91 -33,-0.8 -34,-0.0 -2,-0.5 -2,-0.0 -0.915 58.3 -22.2-118.0 106.7 -5.7 -6.4 -2.3 69 423 A G E S- 0 0 39 -2,-0.6 -32,-1.4 -33,-0.1 -1,-0.2 0.454 77.4 -84.2 79.3 141.2 -2.0 -6.9 -2.0 70 424 A P E -c 37 0C 52 0, 0.0 -32,-0.2 0, 0.0 -31,-0.0 -0.553 51.9-109.0 -74.3 147.6 0.8 -4.4 -1.5 71 425 A E - 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