==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/ANTIMICROBIAL PROTEIN 08-FEB-11 3QNJ . COMPND 2 MOLECULE: CHAPERONE PROTEIN DNAK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ZAHN,N.STRAETER . 433 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 30.7 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+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 1 0 0 0 0 0 0 4 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 0 2 2 5 1 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 . 2 0 2 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 1 389 A V 0 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 19.4 -33.6 25.6 2 390 A L + 0 0 179 1,-0.1 2,-0.3 0, 0.0 0, 0.0 0.486 360.0 34.3 -91.4 -7.3 22.0 -31.2 24.2 3 391 A L + 0 0 143 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.998 62.9 164.5-149.8 157.5 22.1 -32.9 20.8 4 392 A L - 0 0 106 -2,-0.3 2,-0.6 -3,-0.1 25,-0.0 -0.987 37.8-105.4-165.9 147.9 19.7 -34.7 18.6 5 393 A D + 0 0 111 -2,-0.3 25,-2.3 25,-0.3 2,-0.3 -0.803 42.5 169.3 -85.4 122.2 19.2 -36.0 15.0 6 394 A V B -A 29 0A 56 -2,-0.6 23,-0.2 23,-0.3 22,-0.1 -0.747 43.6-111.8-117.5 163.7 16.9 -33.8 12.9 7 395 A T - 0 0 15 21,-2.3 20,-2.4 -2,-0.3 21,-0.5 -0.944 33.9-147.0 -91.0 124.3 16.2 -33.9 9.2 8 396 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.669 70.8 37.4 -77.0 -17.9 17.8 -30.4 8.2 9 397 A L S S- 0 0 0 17,-0.2 19,-0.1 16,-0.1 2,-0.1 -0.901 91.3 -94.0-130.6 153.9 15.4 -29.5 5.4 10 398 A S - 0 0 8 -2,-0.3 45,-2.5 16,-0.1 2,-0.4 -0.409 38.3-151.4 -57.9 144.0 11.7 -29.8 4.6 11 399 A L E +BC 24 54B 5 13,-2.5 12,-3.7 43,-0.2 13,-2.0 -0.973 33.3 121.5-123.6 131.8 10.7 -32.9 2.6 12 400 A G E -BC 22 53B 0 41,-2.1 41,-2.7 -2,-0.4 2,-0.3 -0.855 46.3 -91.0-164.4-159.1 7.7 -33.0 0.3 13 401 A I E -BC 21 52B 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.4 -0.764 35.9 -97.4-133.2 168.4 6.4 -33.6 -3.1 14 402 A E E -B 20 0B 33 37,-0.8 37,-0.3 -2,-0.3 2,-0.2 -0.768 41.1-170.4 -90.6 133.2 5.5 -31.6 -6.2 15 403 A T E >> -B 19 0B 7 4,-2.2 3,-1.5 -2,-0.4 4,-1.3 -0.714 41.3 -49.1-121.7 170.4 1.9 -30.7 -6.5 16 404 A M T 34 S+ 0 0 4 407,-2.6 -1,-0.1 1,-0.2 407,-0.1 -0.081 122.6 22.5 -50.1 132.1 -0.1 -29.2 -9.4 17 405 A G T 34 S- 0 0 34 1,-0.1 -1,-0.2 409,-0.1 131,-0.0 0.425 128.3 -68.9 92.2 1.4 1.4 -26.2 -11.1 18 406 A G T <4 S+ 0 0 21 -3,-1.5 42,-2.2 1,-0.3 43,-0.5 0.721 89.8 141.9 91.6 29.7 5.1 -26.8 -10.0 19 407 A V E < -BD 15 59B 9 -4,-1.3 -4,-2.2 40,-0.2 2,-0.6 -0.611 49.7-127.1 -99.6 151.1 4.8 -26.2 -6.3 20 408 A M E -B 14 0B 5 38,-1.8 2,-0.5 -2,-0.2 -6,-0.2 -0.939 19.9-165.2 -97.6 124.1 6.5 -28.0 -3.3 21 409 A T E -B 13 0B 27 -8,-3.0 -8,-2.5 -2,-0.6 2,-0.4 -0.950 19.8-133.1-108.5 122.5 4.1 -29.2 -0.7 22 410 A T E +B 12 0B 48 -2,-0.5 -10,-0.3 -10,-0.3 3,-0.1 -0.566 29.6 173.8 -81.6 130.1 5.9 -30.2 2.4 23 411 A L E S+ 0 0 9 -12,-3.7 2,-0.4 -2,-0.4 -11,-0.2 0.819 78.6 29.5 -99.0 -35.9 5.2 -33.4 4.3 24 412 A I E S-B 11 0B 6 -13,-2.0 -13,-2.5 8,-0.0 -1,-0.3 -0.995 84.6-131.9-127.5 119.6 8.0 -33.2 7.0 25 413 A A > - 0 0 56 -2,-0.4 3,-1.4 -15,-0.2 -18,-0.2 -0.321 34.5 -89.9 -68.5 149.8 9.1 -29.7 8.2 26 414 A K T 3 S+ 0 0 82 1,-0.2 -17,-0.2 -18,-0.1 -1,-0.1 -0.250 111.1 24.7 -55.3 149.0 12.8 -28.8 8.4 27 415 A N T 3 S+ 0 0 92 -20,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.482 82.3 152.0 65.7 6.9 14.5 -29.6 11.8 28 416 A T < - 0 0 39 -3,-1.4 -21,-2.3 -21,-0.5 -1,-0.2 -0.458 50.4-112.9 -58.0 132.1 12.0 -32.3 12.6 29 417 A T B -A 6 0A 72 -23,-0.2 -23,-0.3 -2,-0.2 -1,-0.1 -0.436 44.6 -97.5 -71.4 144.5 13.6 -34.9 14.9 30 418 A I S S+ 0 0 30 -25,-2.3 -25,-0.3 -2,-0.1 2,-0.2 -0.814 96.4 55.0-110.2 150.9 14.0 -38.3 13.4 31 419 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.558 81.4 147.1 -72.1 157.6 12.7 -40.9 13.3 32 420 A T E -F 90 0C 36 58,-1.9 58,-3.0 -2,-0.2 2,-0.3 -0.983 29.7-162.5-158.8 160.1 9.4 -39.4 12.1 33 421 A K E +F 89 0C 128 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.995 10.2 170.7-150.1 136.2 6.4 -40.2 9.9 34 422 A H E -F 88 0C 92 54,-2.2 54,-3.1 -2,-0.3 2,-0.3 -0.969 9.5-165.6-151.6 145.0 3.7 -38.2 8.3 35 423 A S E -F 87 0C 36 -2,-0.3 2,-0.3 52,-0.2 52,-0.2 -0.874 5.7-179.9-123.3 152.1 1.0 -38.9 5.8 36 424 A Q E -F 86 0C 50 50,-2.1 50,-2.7 -2,-0.3 2,-0.3 -0.959 24.6-126.7-155.2 134.7 -1.2 -36.6 3.7 37 425 A V E -F 85 0C 29 -2,-0.3 2,-0.3 48,-0.2 48,-0.2 -0.686 27.9-177.6 -82.7 134.8 -4.0 -37.4 1.2 38 426 A F E -F 84 0C 0 46,-2.5 46,-2.6 -2,-0.3 2,-0.2 -0.806 5.3-160.8-123.9 167.8 -3.8 -35.9 -2.3 39 427 A S B -i 423 0D 2 383,-2.8 385,-2.1 -2,-0.3 2,-0.4 -0.669 29.9 -74.0-133.9-165.0 -6.1 -36.2 -5.3 40 428 A T - 0 0 0 38,-0.2 40,-1.2 383,-0.2 41,-0.1 -0.784 22.9-143.5-103.5 144.2 -6.1 -35.6 -9.0 41 429 A A S S+ 0 0 0 383,-0.4 2,-0.2 384,-0.4 38,-0.1 0.829 80.4 22.1 -67.1 -38.2 -6.0 -32.3 -10.8 42 430 A E S > S- 0 0 57 36,-0.1 3,-0.9 1,-0.1 35,-0.2 -0.791 90.7 -78.6-133.4 173.8 -8.3 -33.3 -13.7 43 431 A D T 3 S+ 0 0 60 -2,-0.2 -2,-0.1 1,-0.2 -1,-0.1 -0.397 106.2 13.3 -74.8 140.0 -11.0 -35.8 -14.8 44 432 A N T 3 S+ 0 0 110 33,-3.0 2,-0.5 1,-0.2 -1,-0.2 0.653 76.1 162.0 78.9 19.7 -10.0 -39.2 -15.8 45 433 A Q < + 0 0 6 -3,-0.9 32,-0.3 32,-0.5 -1,-0.2 -0.632 11.1 174.0 -82.9 122.2 -6.4 -39.3 -14.5 46 434 A S + 0 0 52 -2,-0.5 28,-1.8 1,-0.2 27,-0.5 0.523 61.6 45.3-107.8 -9.7 -5.2 -42.8 -14.3 47 435 A A - 0 0 45 25,-0.2 2,-0.3 26,-0.2 25,-0.2 -0.995 59.5-169.9-144.3 127.0 -1.6 -42.2 -13.3 48 436 A V E - E 0 71B 1 23,-2.6 23,-3.1 -2,-0.4 2,-0.5 -0.906 14.5-140.0-119.1 150.8 0.1 -39.9 -10.9 49 437 A T E - E 0 70B 48 -2,-0.3 2,-0.6 21,-0.2 21,-0.2 -0.947 7.5-156.8-110.3 126.8 3.8 -39.0 -10.4 50 438 A I E - E 0 69B 0 19,-2.6 19,-1.6 -2,-0.5 2,-0.6 -0.923 11.2-173.4-103.5 114.9 5.3 -38.6 -7.0 51 439 A H E - E 0 68B 30 -2,-0.6 -37,-0.8 -37,-0.3 2,-0.3 -0.935 13.9-147.0-119.4 109.5 8.4 -36.4 -7.1 52 440 A V E -CE 13 67B 0 15,-2.2 14,-3.1 -2,-0.6 15,-1.0 -0.607 20.8-174.8 -88.2 138.2 10.2 -36.2 -3.7 53 441 A L E -CE 12 65B 1 -41,-2.7 -41,-2.1 -2,-0.3 2,-0.5 -0.956 20.3-155.8-136.1 145.2 12.0 -32.9 -2.9 54 442 A Q E +CE 11 64B 14 10,-2.8 10,-3.3 -2,-0.3 2,-0.3 -0.987 53.3 63.6-118.7 129.6 14.3 -31.5 -0.2 55 443 A G S S- 0 0 1 -45,-2.5 8,-0.1 -2,-0.5 -2,-0.1 -0.826 73.8-100.2 147.5 176.2 14.4 -27.8 0.3 56 444 A E S S+ 0 0 37 -2,-0.3 2,-0.1 6,-0.1 -1,-0.1 0.229 74.0 111.2-109.8 0.3 12.5 -24.6 1.4 57 445 A R - 0 0 25 1,-0.1 -37,-0.1 2,-0.1 74,-0.1 -0.468 63.1-138.7 -82.5 157.5 11.6 -23.0 -1.9 58 446 A K S S+ 0 0 63 -39,-0.1 -38,-1.8 -2,-0.1 2,-0.7 0.808 87.7 79.3 -81.8 -30.1 8.0 -22.8 -3.1 59 447 A R B > S-D 19 0B 38 -40,-0.2 3,-2.2 1,-0.2 4,-0.4 -0.722 76.1-147.3 -78.7 114.1 9.0 -23.6 -6.7 60 448 A A G > S+ 0 0 4 -42,-2.2 3,-1.8 -2,-0.7 -1,-0.2 0.863 97.6 62.5 -38.4 -50.1 9.5 -27.4 -6.8 61 449 A A G 3 S+ 0 0 43 -43,-0.5 -1,-0.3 1,-0.3 210,-0.2 0.717 97.0 57.4 -53.4 -30.4 12.2 -26.8 -9.5 62 450 A D G < S+ 0 0 32 -3,-2.2 -1,-0.3 208,-0.1 -2,-0.2 0.474 96.2 80.7 -82.2 -10.7 14.4 -24.8 -6.9 63 451 A N S < S- 0 0 9 -3,-1.8 2,-0.5 -4,-0.4 -8,-0.2 -0.475 92.6 -93.3 -93.9 169.3 14.5 -27.7 -4.4 64 452 A K E -E 54 0B 84 -10,-3.3 -10,-2.8 -2,-0.1 2,-0.3 -0.740 37.2-133.8 -87.9 122.8 16.8 -30.8 -4.5 65 453 A S E -E 53 0B 51 -2,-0.5 -12,-0.2 -12,-0.2 53,-0.2 -0.525 22.2-177.5 -77.1 135.3 15.2 -33.7 -6.2 66 454 A L E - 0 0 29 -14,-3.1 2,-0.3 1,-0.5 -13,-0.2 0.660 56.0 -69.9-110.0 -15.0 15.5 -36.9 -4.2 67 455 A G E -E 52 0B 19 -15,-1.0 -15,-2.2 46,-0.1 -1,-0.5 -0.905 46.2-141.5 151.3-176.6 13.8 -39.3 -6.6 68 456 A Q E -E 51 0B 95 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.978 10.7-176.0-168.9 167.9 10.5 -40.1 -8.0 69 457 A F E -E 50 0B 23 -19,-1.6 -19,-2.6 -2,-0.3 2,-0.3 -0.967 24.6-110.4-167.2 163.7 8.1 -42.9 -9.2 70 458 A N E -E 49 0B 82 -2,-0.3 2,-0.4 -21,-0.2 -21,-0.2 -0.724 8.8-156.4-106.3 150.1 4.7 -43.4 -10.7 71 459 A L E +E 48 0B 4 -23,-3.1 -23,-2.6 -2,-0.3 2,-0.2 -0.955 27.5 168.4-125.3 109.5 1.4 -44.8 -9.4 72 460 A D + 0 0 90 -2,-0.4 -25,-0.2 -25,-0.2 -26,-0.0 -0.578 43.9 66.2-112.5 173.6 -0.8 -46.1 -12.3 73 461 A G + 0 0 46 -27,-0.5 2,-0.2 1,-0.3 -26,-0.2 0.487 60.2 148.9 89.4 3.0 -4.0 -48.2 -12.3 74 462 A I - 0 0 2 -28,-1.8 -1,-0.3 -3,-0.2 3,-0.0 -0.517 57.7-107.7 -70.7 132.4 -6.2 -45.6 -10.7 75 463 A N - 0 0 99 -2,-0.2 2,-0.4 1,-0.1 -30,-0.1 -0.481 39.2-108.0 -63.3 123.5 -9.8 -45.8 -11.9 76 464 A P + 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -30,-0.1 -0.472 61.7 154.3 -59.1 116.1 -10.4 -42.8 -14.2 77 465 A A - 0 0 11 -2,-0.4 -33,-3.0 -32,-0.3 -32,-0.5 -0.804 47.1 -67.5-139.3 172.4 -12.7 -40.6 -12.1 78 466 A P > - 0 0 77 0, 0.0 3,-1.8 0, 0.0 -38,-0.2 -0.248 67.1 -85.9 -63.1 152.6 -13.7 -36.9 -11.6 79 467 A R T 3 S+ 0 0 85 1,-0.2 -38,-0.2 2,-0.1 -36,-0.1 -0.330 117.0 27.0 -57.4 149.0 -11.1 -34.6 -10.3 80 468 A G T 3 S+ 0 0 40 -40,-1.2 -1,-0.2 -38,-0.2 -39,-0.1 0.184 98.7 99.3 87.7 -14.2 -10.9 -34.6 -6.4 81 469 A M < + 0 0 123 -3,-1.8 -2,-0.1 -41,-0.1 -38,-0.0 0.950 57.7 78.0 -75.9 -52.1 -12.2 -38.0 -6.4 82 470 A P - 0 0 7 0, 0.0 2,-0.7 0, 0.0 -42,-0.2 -0.333 65.2-150.0 -61.8 140.2 -9.1 -40.2 -5.9 83 471 A Q - 0 0 89 -44,-0.1 20,-2.6 -46,-0.1 2,-0.9 -0.880 16.9-177.3-109.4 90.1 -7.7 -40.4 -2.4 84 472 A I E -FG 38 102C 0 -46,-2.6 -46,-2.5 -2,-0.7 2,-0.5 -0.847 15.4-150.8 -92.0 99.7 -3.9 -41.0 -2.9 85 473 A E E -FG 37 101C 53 16,-2.9 16,-2.5 -2,-0.9 2,-0.5 -0.638 11.1-162.6 -72.1 118.8 -2.4 -41.4 0.6 86 474 A V E -FG 36 100C 0 -50,-2.7 -50,-2.1 -2,-0.5 2,-0.4 -0.937 6.8-171.2-107.6 126.9 1.2 -40.2 0.6 87 475 A T E -FG 35 99C 19 12,-2.9 12,-1.8 -2,-0.5 2,-0.5 -0.950 11.1-168.7-124.7 130.0 3.5 -41.2 3.4 88 476 A F E +FG 34 98C 0 -54,-3.1 -54,-2.2 -2,-0.4 2,-0.4 -0.969 13.1 177.3-115.3 129.7 7.0 -40.1 4.3 89 477 A D E -FG 33 97C 54 8,-2.6 8,-3.5 -2,-0.5 2,-0.6 -0.985 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-0.964 17.2-160.3-137.4 153.0 4.9 -44.5 -0.5 100 488 A A E -GH 86 109C 0 9,-2.2 9,-1.9 -2,-0.3 2,-0.4 -0.999 11.7-173.8-131.4 130.4 1.7 -43.5 -2.3 101 489 A K E -GH 85 108C 91 -16,-2.5 -16,-2.9 -2,-0.4 2,-0.6 -0.986 21.0-141.6-131.3 126.4 -1.4 -45.6 -2.1 102 490 A D E > -G 84 0C 2 5,-2.7 4,-2.5 -2,-0.4 5,-0.3 -0.762 16.4-153.8 -82.9 116.8 -4.7 -45.1 -4.0 103 491 A K T 4 S+ 0 0 111 -20,-2.6 -1,-0.2 -2,-0.6 -19,-0.1 0.836 87.7 50.4 -70.1 -36.1 -7.4 -45.9 -1.4 104 492 A N T 4 S+ 0 0 124 -21,-0.2 -1,-0.2 1,-0.2 -20,-0.0 0.940 122.9 27.3 -65.3 -51.4 -10.0 -47.0 -3.9 105 493 A S T 4 S- 0 0 48 2,-0.1 -2,-0.2 -30,-0.1 -1,-0.2 0.671 94.4-130.6 -88.2 -21.2 -7.9 -49.4 -6.0 106 494 A G < + 0 0 40 -4,-2.5 2,-0.2 1,-0.3 -3,-0.1 0.447 54.6 151.0 84.5 -3.0 -5.4 -50.5 -3.3 107 495 A K + 0 0 104 -5,-0.3 -5,-2.7 -34,-0.1 2,-0.3 -0.458 20.3 179.1 -67.9 132.3 -2.6 -49.8 -5.8 108 496 A E E -H 101 0C 95 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.977 15.5-178.8-134.8 145.1 0.6 -48.8 -4.1 109 497 A Q E -H 100 0C 94 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