==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JUL-09 3IDU . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,M.MAO,R.XIAO,C.CICCOSANTI, . 226 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 58.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 38.5 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 . 3 1.3 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.0 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+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 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 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 2 2 0 5 1 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 2 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 1 423 A T 0 0 120 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.9 8.3 1.2 30.7 2 424 A D + 0 0 105 6,-0.0 2,-0.3 220,-0.0 0, 0.0 -0.516 360.0 166.8 -71.7 127.0 9.0 1.4 26.9 3 425 A Y + 0 0 126 -2,-0.3 2,-0.2 6,-0.0 5,-0.2 -0.984 6.4 140.2-144.3 129.9 12.7 1.1 26.1 4 426 A D B > -A 7 0A 57 3,-1.2 3,-2.2 -2,-0.3 -2,-0.0 -0.854 69.4 -69.7-151.9-176.2 14.3 0.5 22.6 5 427 A K T 3 S+ 0 0 176 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.554 136.3 45.0 -63.5 -3.5 17.3 1.7 20.6 6 428 A L T 3 S+ 0 0 46 1,-0.2 2,-0.4 12,-0.0 -1,-0.3 0.367 113.2 55.7-116.1 -1.2 15.5 5.1 20.3 7 429 A S B < +A 4 0A 9 -3,-2.2 -3,-1.2 11,-0.0 2,-0.3 -0.918 60.2 168.6-140.5 112.3 14.5 5.2 24.0 8 430 A N 0 0 129 -2,-0.4 -6,-0.0 -5,-0.2 -3,-0.0 -0.857 360.0 360.0-119.9 155.7 16.9 5.0 27.0 9 431 A L 0 0 183 -2,-0.3 -1,-0.1 -6,-0.0 33,-0.0 -0.197 360.0 360.0 -66.5 360.0 16.3 5.7 30.7 10 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 11 434 A T 0 0 110 0, 0.0 33,-0.1 0, 0.0 92,-0.1 0.000 360.0 360.0 360.0 136.8 16.3 13.2 34.5 12 435 A F + 0 0 120 31,-0.1 31,-0.0 32,-0.1 0, 0.0 0.189 360.0 89.8-133.3 10.3 12.7 14.6 34.6 13 436 A E S S+ 0 0 142 31,-0.1 30,-0.1 32,-0.1 -1,-0.0 0.435 87.8 45.4 -91.0 0.9 13.5 18.3 34.3 14 437 A F S S- 0 0 93 28,-0.1 30,-1.0 31,-0.0 31,-0.4 -0.995 73.4-127.6-144.0 149.4 13.4 18.3 30.5 15 438 A P - 0 0 12 0, 0.0 88,-1.8 0, 0.0 89,-0.2 -0.383 19.6-158.0 -84.4 172.3 11.2 17.0 27.7 16 439 A D - 0 0 12 86,-0.2 26,-2.9 29,-0.2 2,-0.3 -0.715 4.3-158.1-154.8 102.3 12.8 15.0 24.9 17 440 A L E +B 41 0B 0 24,-0.2 2,-0.3 -2,-0.2 90,-0.2 -0.591 16.9 171.0 -82.8 139.6 11.0 14.8 21.6 18 441 A T E -B 40 0B 1 22,-1.9 22,-2.1 -2,-0.3 2,-0.3 -0.966 14.2-155.2-144.3 158.6 11.7 11.9 19.2 19 442 A V E +B 39 0B 4 88,-0.9 2,-0.3 -2,-0.3 20,-0.2 -0.986 9.5 178.8-139.5 149.7 10.2 10.6 15.9 20 443 A E E -B 38 0B 41 18,-1.2 18,-3.3 -2,-0.3 2,-0.4 -0.990 18.0-141.8-148.1 142.1 10.1 7.3 14.1 21 444 A I E -B 37 0B 6 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.874 17.7-175.2-108.3 139.5 8.4 6.3 10.8 22 445 A K E +B 36 0B 89 14,-2.6 14,-3.0 -2,-0.4 90,-0.0 -0.999 30.4 85.5-136.2 137.3 6.7 2.9 10.3 23 446 A G S S- 0 0 34 -2,-0.4 12,-0.2 12,-0.2 2,-0.1 -0.952 76.2 -25.0 161.8-176.6 5.2 1.4 7.2 24 447 A P - 0 0 48 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.365 37.5-160.3 -63.6 132.3 5.9 -0.6 4.0 25 448 A D S S+ 0 0 106 1,-0.2 90,-2.6 89,-0.1 2,-0.4 0.453 84.2 46.2 -89.1 -2.7 9.5 -0.3 2.7 26 449 A V E S+d 115 0C 82 88,-0.2 2,-0.3 90,-0.0 90,-0.2 -0.964 70.2 169.5-143.4 121.3 8.3 -1.4 -0.7 27 450 A V E -d 116 0C 15 88,-2.0 90,-2.7 -2,-0.4 2,-0.3 -0.931 28.6-119.7-132.6 156.5 5.2 -0.1 -2.5 28 451 A G > - 0 0 11 -2,-0.3 3,-1.3 88,-0.2 88,-0.1 -0.749 40.2 -93.0 -98.7 143.5 3.7 -0.3 -6.0 29 452 A V T 3 S+ 0 0 50 88,-1.0 54,-0.2 -2,-0.3 -1,-0.1 -0.161 110.0 10.5 -51.6 139.2 3.0 2.7 -8.3 30 453 A N T 3 S+ 0 0 112 52,-3.5 2,-0.4 1,-0.2 -1,-0.3 0.788 100.5 129.3 59.6 31.2 -0.5 4.1 -8.0 31 454 A K < - 0 0 119 -3,-1.3 2,-0.2 51,-0.3 -1,-0.2 -0.967 64.6-114.4-121.0 130.7 -1.1 2.0 -4.8 32 455 A L - 0 0 110 -2,-0.4 2,-0.4 49,-0.2 49,-0.2 -0.426 36.3-173.3 -63.3 124.2 -2.4 3.4 -1.6 33 456 A A E - C 0 80B 6 47,-1.2 47,-2.7 -2,-0.2 2,-0.5 -0.974 11.8-150.0-123.9 136.3 0.2 3.1 1.2 34 457 A E E - C 0 79B 131 -2,-0.4 2,-0.3 45,-0.2 45,-0.2 -0.914 16.9-179.0-110.6 125.8 -0.4 3.8 4.9 35 458 A Y E - C 0 78B 2 43,-2.3 43,-1.5 -2,-0.5 2,-0.4 -0.812 14.3-145.0-119.0 160.4 2.5 5.1 7.1 36 459 A E E -BC 22 77B 55 -14,-3.0 -14,-2.6 -2,-0.3 2,-0.6 -0.988 0.9-155.1-129.2 135.7 2.7 6.0 10.8 37 460 A V E -BC 21 76B 0 39,-3.7 39,-3.3 -2,-0.4 2,-0.8 -0.946 12.8-156.7-108.8 115.3 4.8 8.6 12.4 38 461 A H E -BC 20 75B 16 -18,-3.3 -18,-1.2 -2,-0.6 2,-0.5 -0.848 12.4-174.9 -95.7 110.0 5.4 7.8 16.1 39 462 A V E +BC 19 74B 0 35,-2.6 35,-2.7 -2,-0.8 2,-0.3 -0.914 7.6 179.7-108.2 128.0 6.2 10.9 18.1 40 463 A K E -BC 18 73B 19 -22,-2.1 -22,-1.9 -2,-0.5 2,-0.6 -0.911 29.3-147.2-129.9 155.7 7.2 10.5 21.7 41 464 A N E -B 17 0B 1 31,-2.4 30,-0.7 -2,-0.3 31,-0.4 -0.949 15.8-179.7-118.7 103.6 8.2 12.7 24.6 42 465 A L + 0 0 42 -26,-2.9 -25,-0.1 -2,-0.6 -1,-0.1 0.597 54.7 92.1 -79.4 -10.9 10.7 10.7 26.6 43 466 A G S S- 0 0 0 -27,-0.3 28,-1.4 2,-0.2 29,-0.2 -0.183 81.1-121.8 -83.8 174.2 11.1 13.5 29.2 44 467 A G S S+ 0 0 21 -30,-1.0 2,-0.4 26,-0.2 -32,-0.1 0.395 92.8 72.4 -93.7 0.8 9.4 14.4 32.5 45 468 A I S S- 0 0 76 -31,-0.4 -29,-0.2 24,-0.1 -2,-0.2 -0.947 82.3-124.1-116.9 137.0 8.2 17.8 31.3 46 469 A G - 0 0 30 -2,-0.4 23,-0.3 24,-0.1 -2,-0.1 -0.235 6.9-135.4 -77.8 169.1 5.3 18.1 28.8 47 470 A V E -E 68 0C 6 21,-2.9 21,-2.4 1,-0.1 3,-0.2 -0.907 11.6-169.4-127.1 99.0 5.3 19.9 25.4 48 471 A P E S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.826 75.4 4.2 -56.9 -34.8 2.1 21.9 24.9 49 472 A S E + 0 0 73 19,-0.1 2,-0.3 18,-0.1 18,-0.2 -0.912 66.3 149.6-160.5 128.1 2.8 22.5 21.3 50 473 A T E -E 66 0C 4 16,-1.9 16,-2.6 -2,-0.3 2,-0.4 -0.982 37.8-112.5-152.5 156.2 5.4 21.4 18.7 51 474 A K E -E 65 0C 98 -2,-0.3 44,-2.2 14,-0.2 45,-0.4 -0.756 20.2-165.7 -98.9 139.3 5.5 20.9 15.0 52 475 A V E -EF 64 94C 0 12,-2.6 12,-2.7 -2,-0.4 2,-0.4 -0.962 11.8-173.2-119.3 137.1 5.9 17.5 13.2 53 476 A R E -EF 63 93C 43 40,-2.3 40,-2.6 -2,-0.4 2,-0.4 -0.984 14.1-155.2-135.3 144.1 6.7 17.4 9.5 54 477 A V E -EF 62 92C 0 8,-2.5 7,-3.3 -2,-0.4 8,-1.4 -0.976 13.9-170.5-119.9 132.8 7.0 14.6 6.9 55 478 A Y E -EF 60 91C 41 36,-3.1 36,-2.5 -2,-0.4 2,-0.5 -0.920 12.8-155.9-121.9 147.5 9.2 15.0 3.8 56 479 A I E > S-EF 59 90C 20 3,-2.6 3,-1.7 -2,-0.3 34,-0.2 -0.981 85.1 -18.2-125.9 114.8 9.4 12.8 0.8 57 480 A N T 3 S- 0 0 83 32,-3.1 -1,-0.1 -2,-0.5 33,-0.1 0.887 129.4 -53.2 53.3 43.0 12.7 13.2 -1.1 58 481 A G T 3 S+ 0 0 55 31,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.260 114.9 112.6 81.7 -12.4 13.3 16.5 0.7 59 482 A T E < S-E 56 0C 103 -3,-1.7 -3,-2.6 1,-0.1 -1,-0.2 -0.827 75.0-109.4 -98.6 130.0 10.0 18.1 -0.3 60 483 A L E +E 55 0C 80 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.264 40.2 169.7 -56.4 135.7 7.5 18.7 2.5 61 484 A Y E + 0 0 107 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.736 58.4 0.4-115.1 -51.0 4.5 16.4 2.3 62 485 A K E -E 54 0C 78 -8,-1.4 -8,-2.5 16,-0.0 -1,-0.4 -0.994 55.9-157.8-146.4 151.4 2.4 16.8 5.5 63 486 A N E -E 53 0C 106 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.965 6.8-175.8-133.1 149.0 2.5 18.8 8.7 64 487 A W E -E 52 0C 39 -12,-2.7 -12,-2.6 -2,-0.3 2,-0.5 -0.953 18.2-148.4-137.1 155.7 1.0 18.4 12.2 65 488 A T E +E 51 0C 100 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.986 35.2 172.0-125.1 113.0 0.9 20.5 15.4 66 489 A V E -E 50 0C 15 -16,-2.6 -16,-1.9 -2,-0.5 2,-0.3 -0.832 28.5-143.7-127.4 164.9 0.9 18.2 18.4 67 490 A S E - 0 0 50 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.1 -0.916 15.7-170.4-120.9 148.5 1.1 18.2 22.2 68 491 A L E -E 47 0C 2 -21,-2.4 -21,-2.9 -2,-0.3 3,-0.1 -0.928 9.9-150.2-146.3 119.2 2.8 15.6 24.3 69 492 A G > - 0 0 21 -2,-0.3 3,-1.7 -23,-0.3 -28,-0.2 -0.182 53.5 -58.1 -75.2 176.0 2.7 15.1 28.0 70 493 A P T 3 S- 0 0 73 0, 0.0 -26,-0.2 0, 0.0 -1,-0.2 -0.305 124.9 -0.3 -58.3 137.1 5.6 13.6 29.9 71 494 A K T 3 S+ 0 0 137 -28,-1.4 2,-0.3 -30,-0.7 -29,-0.2 0.778 102.1 142.5 53.9 30.2 6.4 10.0 28.7 72 495 A E < - 0 0 77 -3,-1.7 -31,-2.4 -31,-0.4 2,-0.4 -0.741 33.3-163.8-103.2 151.5 3.6 10.3 26.1 73 496 A E E -C 40 0B 75 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.2 -0.984 2.7-169.0-132.9 143.4 3.5 8.9 22.6 74 497 A K E -C 39 0B 67 -35,-2.7 -35,-2.6 -2,-0.4 2,-0.6 -0.983 15.5-140.9-132.9 145.3 1.2 9.7 19.7 75 498 A V E -C 38 0B 72 -2,-0.4 2,-0.4 -37,-0.2 -37,-0.2 -0.930 18.0-168.2-109.2 115.2 0.8 7.9 16.4 76 499 A L E -C 37 0B 19 -39,-3.3 -39,-3.7 -2,-0.6 2,-0.3 -0.813 9.4-156.3-100.4 142.2 0.2 10.2 13.4 77 500 A T E +C 36 0B 76 -2,-0.4 2,-0.3 -41,-0.2 -41,-0.2 -0.858 17.0 171.6-122.7 157.4 -0.9 8.8 10.1 78 501 A F E -C 35 0B 3 -43,-1.5 -43,-2.3 -2,-0.3 2,-0.3 -0.947 22.2-136.5-159.8 139.7 -0.7 9.7 6.5 79 502 A N E -C 34 0B 84 -2,-0.3 2,-0.4 -45,-0.2 -45,-0.2 -0.734 16.9-168.2 -99.3 150.6 -1.5 8.0 3.2 80 503 A W E -C 33 0B 23 -47,-2.7 -47,-1.2 -2,-0.3 -49,-0.1 -0.950 11.7-171.5-144.1 120.9 0.7 8.1 0.2 81 504 A T - 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