==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 16-NOV-09 3KPD . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MJ0100; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR M.LUCAS,I.OYENARTE,I.G.GARCIA,E.A.ARRIBAS,J.A.ENCINAR, . 480 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 16.7 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 . 8 1.7 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-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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 4 1 0 1 0 4 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 . 12 0 0 0 8 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 . 0 4 4 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 1 388 A T 0 0 91 0, 0.0 80,-3.6 0, 0.0 81,-0.3 0.000 360.0 360.0 360.0 148.8 15.0 34.2 -34.7 2 389 A L B > -A 80 0A 63 78,-0.3 3,-2.3 1,-0.1 76,-0.1 -0.557 360.0-129.9 -87.0 139.9 12.6 31.5 -33.4 3 390 A V G >> S+ 0 0 0 76,-1.9 4,-2.0 1,-0.3 3,-2.0 0.827 101.3 75.7 -52.8 -35.1 13.5 27.8 -33.2 4 391 A K G 34 S+ 0 0 84 73,-1.6 -1,-0.3 1,-0.3 74,-0.1 0.645 99.4 44.2 -50.4 -18.6 10.3 26.9 -35.1 5 392 A D G <4 S+ 0 0 89 -3,-2.3 -1,-0.3 72,-0.1 -2,-0.2 0.092 115.2 42.2-122.0 26.0 12.0 28.0 -38.3 6 393 A I T <4 S+ 0 0 31 -3,-2.0 -2,-0.2 2,-0.0 -3,-0.1 0.519 87.4 109.2-132.1 -34.6 15.5 26.5 -38.0 7 394 A L S < S- 0 0 11 -4,-2.0 2,-0.4 1,-0.1 102,-0.2 0.041 81.3 -94.1 -55.9 153.1 14.7 23.0 -36.7 8 395 A S B -B 108 0B 48 100,-3.3 100,-0.7 1,-0.1 -1,-0.1 -0.650 47.5-134.2 -78.3 128.4 15.0 19.7 -38.6 9 396 A K S S+ 0 0 161 -2,-0.4 -1,-0.1 98,-0.2 -2,-0.1 0.551 77.9 27.0 -92.4 -40.0 11.6 19.3 -39.9 10 397 A P S S- 0 0 107 0, 0.0 97,-0.1 0, 0.0 -1,-0.1 -0.999 89.3-128.8-101.8 125.8 10.1 15.9 -39.6 11 398 A P - 0 0 42 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.392 6.6-138.1 -72.5 149.3 11.8 14.3 -36.6 12 399 A I + 0 0 59 22,-0.2 2,-0.2 -2,-0.1 95,-0.0 -0.950 37.3 164.3-101.8 118.9 13.3 10.9 -36.7 13 400 A T - 0 0 54 -2,-0.6 2,-0.3 22,-0.1 24,-0.2 -0.704 22.9-153.4-126.5 177.5 12.4 9.0 -33.5 14 401 A A B -e 37 0C 9 22,-1.5 24,-2.3 -2,-0.2 2,-0.2 -0.973 19.1-125.6-153.0 135.5 12.4 5.5 -32.2 15 402 A H - 0 0 94 -2,-0.3 24,-0.2 22,-0.2 49,-0.1 -0.555 38.4-112.5 -70.7 151.2 10.5 3.5 -29.6 16 403 A S S S+ 0 0 40 22,-0.4 2,-1.8 1,-0.2 48,-0.5 0.594 99.4 96.2 -64.9 -10.5 12.9 1.9 -27.1 17 404 A N + 0 0 129 47,-0.1 2,-0.3 46,-0.1 -1,-0.2 -0.233 68.4 93.5 -75.7 47.7 11.9 -1.6 -28.5 18 405 A I S S- 0 0 27 -2,-1.8 46,-0.8 -4,-0.1 2,-0.3 -0.961 78.2-103.9-137.7 156.1 14.9 -1.6 -30.8 19 406 A S >> - 0 0 64 -2,-0.3 4,-2.1 44,-0.1 3,-2.1 -0.598 27.4-119.2 -82.0 140.7 18.4 -3.0 -30.6 20 407 A I H 3> S+ 0 0 23 42,-0.5 4,-2.2 1,-0.3 -1,-0.1 0.832 117.4 54.3 -34.3 -45.1 21.5 -0.8 -30.0 21 408 A M H 3> S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.748 105.2 51.2 -73.7 -27.0 22.8 -2.0 -33.4 22 409 A E H <> S+ 0 0 96 -3,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.927 108.1 52.1 -73.8 -45.7 19.6 -0.9 -35.2 23 410 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.933 107.3 53.7 -51.7 -49.5 19.8 2.6 -33.6 24 411 A A H X S+ 0 0 26 -4,-2.2 4,-3.1 1,-0.3 5,-0.2 0.907 108.6 48.1 -52.8 -47.6 23.4 2.8 -34.9 25 412 A K H X S+ 0 0 139 -4,-1.5 4,-2.6 2,-0.2 -1,-0.3 0.885 110.5 53.6 -61.9 -37.5 22.2 2.0 -38.4 26 413 A I H X S+ 0 0 35 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.981 111.4 43.9 -59.7 -57.4 19.5 4.6 -37.9 27 414 A L H X>S+ 0 0 6 -4,-2.9 5,-2.3 1,-0.2 4,-1.2 0.916 118.2 44.4 -50.3 -52.7 22.1 7.3 -37.0 28 415 A I H <5S+ 0 0 139 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.842 109.5 58.0 -64.7 -32.4 24.4 6.2 -39.8 29 416 A K H <5S+ 0 0 168 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.933 117.3 29.0 -66.9 -45.8 21.6 6.0 -42.3 30 417 A H H <5S- 0 0 83 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.537 108.9-117.3 -94.6 -5.1 20.4 9.6 -42.0 31 418 A N T <5 + 0 0 150 -4,-1.2 2,-0.3 -5,-0.3 -3,-0.2 0.880 68.1 139.8 71.8 41.3 23.8 10.9 -41.1 32 419 A I < - 0 0 52 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.739 48.9-159.9-116.1 158.4 22.5 12.0 -37.6 33 420 A N S S+ 0 0 54 -2,-0.3 17,-0.5 1,-0.1 2,-0.4 0.336 74.2 67.9-115.4 8.7 23.9 12.0 -34.1 34 421 A H E - F 0 49C 11 15,-0.2 15,-0.2 -7,-0.1 -22,-0.2 -0.983 50.8-179.3-137.6 122.5 20.7 12.3 -32.1 35 422 A L E - F 0 48C 0 13,-3.6 13,-3.2 -2,-0.4 2,-0.4 -0.934 16.5-150.6-125.7 106.6 17.9 9.9 -31.8 36 423 A P E - F 0 47C 3 0, 0.0 -22,-1.5 0, 0.0 2,-0.6 -0.616 14.6-141.4 -71.8 129.3 14.9 10.8 -29.6 37 424 A I E -eF 14 46C 0 9,-3.5 8,-2.0 -2,-0.4 9,-1.6 -0.856 22.6-169.5 -95.4 122.2 13.3 7.8 -28.1 38 425 A V E - F 0 44C 7 -24,-2.3 -22,-0.4 -2,-0.6 6,-0.2 -0.841 15.3-129.2-112.7 149.4 9.5 8.0 -28.0 39 426 A D - 0 0 46 4,-2.1 -1,-0.1 -2,-0.3 6,-0.0 -0.211 49.4 -76.5 -80.1-179.3 6.8 5.9 -26.3 40 427 A E S S+ 0 0 158 1,-0.2 -25,-0.0 2,-0.1 -2,-0.0 0.879 133.6 44.5 -48.1 -51.5 3.7 4.4 -27.9 41 428 A H S S- 0 0 131 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.984 122.3-104.2 -53.5 -60.7 1.8 7.7 -28.1 42 429 A G S S+ 0 0 18 1,-0.1 63,-1.1 61,-0.1 2,-0.2 0.312 70.1 146.8 142.8 14.0 4.9 9.5 -29.3 43 430 A K B -H 104 0D 59 61,-0.2 -4,-2.1 1,-0.1 2,-0.6 -0.473 56.1 -95.1 -89.7 151.8 5.9 11.3 -26.1 44 431 A L E +F 38 0C 11 59,-2.6 -6,-0.2 -6,-0.2 28,-0.1 -0.495 49.5 156.8 -82.6 111.0 9.5 12.0 -25.2 45 432 A V E - 0 0 58 -8,-2.0 2,-0.3 -2,-0.6 -7,-0.2 0.863 62.0 -38.8 -96.2 -42.6 11.1 9.4 -22.9 46 433 A G E -F 37 0C 0 -9,-1.6 -9,-3.5 25,-0.1 2,-0.4 -0.970 51.4-104.3-170.4-177.3 14.9 9.8 -23.6 47 434 A I E -FG 36 69C 18 22,-1.0 22,-2.1 -2,-0.3 2,-0.4 -0.986 15.8-163.7-133.6 134.1 17.7 10.4 -26.1 48 435 A I E +F 35 0C 1 -13,-3.2 -13,-3.6 -2,-0.4 2,-0.3 -0.927 13.4 171.1-110.7 138.4 20.3 8.3 -27.7 49 436 A T E >> -F 34 0C 25 -2,-0.4 3,-1.8 -15,-0.2 4,-1.1 -0.927 53.8 -91.1-134.8 164.1 23.4 9.6 -29.4 50 437 A S H 3> S+ 0 0 58 -17,-0.5 4,-1.6 -2,-0.3 5,-0.1 0.689 122.9 68.1 -49.3 -22.8 26.5 7.8 -30.8 51 438 A W H 3> S+ 0 0 167 -18,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.926 98.4 49.1 -62.4 -47.2 28.1 8.3 -27.4 52 439 A D H <> S+ 0 0 6 -3,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.885 105.4 58.2 -58.5 -39.9 25.5 5.9 -25.8 53 440 A I H X S+ 0 0 36 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.911 109.9 44.1 -58.6 -38.3 26.3 3.4 -28.6 54 441 A A H X S+ 0 0 58 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.764 109.7 55.3 -80.1 -24.4 29.9 3.4 -27.4 55 442 A K H X S+ 0 0 74 -4,-1.7 4,-2.2 2,-0.2 6,-0.4 0.929 104.8 55.8 -65.3 -44.0 28.8 3.3 -23.8 56 443 A A H <>S+ 0 0 4 -4,-3.0 5,-0.8 1,-0.2 4,-0.4 0.865 111.4 41.3 -57.4 -43.0 26.9 0.1 -24.7 57 444 A L H ><5S+ 0 0 149 -4,-1.4 3,-0.6 3,-0.2 -1,-0.2 0.896 113.6 56.3 -65.9 -41.0 30.0 -1.6 -26.1 58 445 A A H 3<5S+ 0 0 73 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.804 121.5 23.6 -67.1 -34.1 32.0 -0.3 -23.2 59 446 A Q T 3<5S- 0 0 90 -4,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.194 106.4-114.3-118.9 14.0 29.9 -1.7 -20.4 60 447 A N T < 5 + 0 0 138 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.689 55.6 166.1 56.8 25.1 28.3 -4.6 -22.4 61 448 A K < - 0 0 82 -5,-0.8 -1,-0.2 -6,-0.4 -2,-0.1 -0.334 18.3-169.9 -65.5 152.2 24.8 -3.1 -22.1 62 449 A K + 0 0 169 1,-0.1 -42,-0.5 -42,-0.0 2,-0.3 0.587 52.0 63.3-129.4 -17.8 22.3 -4.6 -24.4 63 450 A T - 0 0 55 -44,-0.1 4,-0.5 1,-0.1 3,-0.5 -0.887 69.0-129.8-120.4 149.7 19.0 -2.7 -24.5 64 451 A I S >> S+ 0 0 3 -46,-0.8 4,-2.0 -48,-0.5 3,-1.5 0.913 108.5 55.8 -57.1 -45.8 18.1 0.9 -25.6 65 452 A E T 34 S+ 0 0 120 -49,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.740 98.6 62.4 -62.6 -29.2 16.2 1.6 -22.4 66 453 A E T 34 S+ 0 0 101 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.710 119.0 22.8 -63.3 -25.6 19.3 0.7 -20.3 67 454 A I T <4 S+ 0 0 24 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.560 84.3 117.6-128.1 -16.7 21.4 3.6 -21.8 68 455 A M S < S- 0 0 13 -4,-2.0 2,-1.1 1,-0.1 -20,-0.2 -0.398 80.4-106.1 -58.0 126.0 19.1 6.3 -23.2 69 456 A T B -G 47 0C 68 -22,-2.1 -22,-1.0 1,-0.2 -1,-0.1 -0.443 36.0-155.6 -61.8 99.1 19.7 9.5 -21.3 70 457 A R S S+ 0 0 140 -2,-1.1 2,-0.7 1,-0.2 -1,-0.2 0.712 78.7 54.7 -56.5 -31.5 16.5 9.2 -19.3 71 458 A N S S- 0 0 26 -24,-0.1 2,-0.3 -25,-0.0 -1,-0.2 -0.849 78.5-166.3-112.7 98.5 16.3 13.0 -18.7 72 459 A V - 0 0 7 -2,-0.7 2,-0.5 -27,-0.2 24,-0.1 -0.590 17.6-135.4 -90.0 136.5 16.5 14.9 -22.0 73 460 A I - 0 0 21 -2,-0.3 2,-0.2 22,-0.2 149,-0.1 -0.802 37.1-178.2 -91.0 126.9 17.1 18.7 -22.4 74 461 A T - 0 0 15 -2,-0.5 2,-0.3 147,-0.3 24,-0.2 -0.704 23.5-132.6-128.0 169.7 14.7 20.1 -25.0 75 462 A A E -c 98 0B 0 22,-2.5 24,-2.3 -2,-0.2 2,-0.3 -0.946 18.4-129.2-127.3 149.3 13.6 23.2 -26.8 76 463 A H E > -c 99 0B 26 -2,-0.3 3,-2.8 22,-0.2 -73,-0.3 -0.734 24.5-120.3 -97.4 143.5 10.2 24.8 -27.5 77 464 A E T 3 S+ 0 0 69 22,-0.8 -73,-1.6 -2,-0.3 -72,-0.1 0.631 115.6 45.7 -66.6 -5.4 9.1 25.7 -31.0 78 465 A D T 3 S+ 0 0 63 -75,-0.2 -1,-0.3 -76,-0.1 3,-0.0 0.326 85.1 116.4-110.9 9.9 8.7 29.3 -29.9 79 466 A E S < S- 0 0 30 -3,-2.8 -76,-1.9 -77,-0.1 5,-0.1 -0.636 75.1-110.5 -79.5 122.7 12.0 29.5 -28.0 80 467 A P B > -A 2 0A 58 0, 0.0 4,-0.8 0, 0.0 3,-0.5 -0.215 22.4-127.3 -57.1 145.2 14.5 32.0 -29.5 81 468 A V H >> S+ 0 0 2 -80,-3.6 3,-2.3 1,-0.2 4,-2.1 0.943 104.0 59.3 -59.0 -54.4 17.5 30.3 -31.2 82 469 A D H 3> S+ 0 0 98 1,-0.3 4,-2.0 -81,-0.3 -1,-0.2 0.810 103.7 55.2 -44.9 -35.8 20.2 32.3 -29.5 83 470 A H H 3> S+ 0 0 32 -3,-0.5 4,-0.9 1,-0.2 -1,-0.3 0.789 106.0 49.1 -74.6 -28.0 18.8 31.0 -26.2 84 471 A V H S+ 0 0 9 -4,-2.2 5,-2.4 -3,-0.3 4,-0.5 0.831 114.4 47.2 -71.7 -36.9 23.6 23.4 -25.4 89 476 A S H ><5S+ 0 0 69 -4,-1.8 3,-2.2 3,-0.2 -2,-0.2 0.994 110.0 51.7 -65.5 -59.8 27.0 24.9 -24.5 90 477 A K H 3<5S+ 0 0 144 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.676 123.3 32.0 -49.0 -21.9 26.2 25.4 -20.8 91 478 A Y T 3<5S- 0 0 78 -4,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.381 109.9-126.6-116.6 -1.4 25.1 21.7 -20.7 92 479 A N T < 5 + 0 0 145 -3,-2.2 2,-0.3 -4,-0.5 -3,-0.2 0.942 63.0 126.0 49.7 66.6 27.6 20.6 -23.4 93 480 A I < - 0 0 62 -5,-2.4 -1,-0.2 1,-0.0 -2,-0.2 -0.939 52.3-146.7-143.8 156.7 25.4 18.8 -25.8 94 481 A S S S+ 0 0 42 -2,-0.3 17,-2.3 1,-0.2 18,-0.4 0.429 74.2 41.5-112.5 -0.0 25.0 19.4 -29.5 95 482 A G E - D 0 110B 4 15,-0.2 15,-0.2 16,-0.1 -1,-0.2 -0.985 51.0-170.6-154.7 136.9 21.3 18.7 -30.0 96 483 A V E - D 0 109B 0 13,-2.5 13,-2.5 -2,-0.3 2,-0.2 -0.994 24.8-127.6-125.6 134.4 17.9 19.2 -28.6 97 484 A P E - D 0 108B 0 0, 0.0 -22,-2.5 0, 0.0 2,-0.5 -0.523 27.2-131.3 -63.5 140.1 14.5 17.7 -29.5 98 485 A V E -cD 75 107B 0 9,-2.7 8,-2.4 -24,-0.2 9,-1.4 -0.880 29.3-161.7 -96.9 129.2 11.9 20.4 -30.0 99 486 A V E -cD 76 105B 8 -24,-2.3 -22,-0.8 -2,-0.5 6,-0.2 -0.856 16.5-138.3-116.7 146.0 8.7 19.6 -28.1 100 487 A D > - 0 0 39 4,-1.9 3,-2.2 -2,-0.3 4,-0.1 -0.375 52.7 -83.3 -84.1 179.8 5.1 20.7 -28.2 101 488 A D T 3 S+ 0 0 29 1,-0.3 91,-0.1 2,-0.1 -1,-0.0 0.565 129.2 55.3 -69.8 -6.4 3.3 21.3 -25.0 102 489 A Y T 3 S- 0 0 99 2,-0.1 -1,-0.3 89,-0.0 3,-0.1 0.283 118.5-106.1-103.6 9.7 2.4 17.6 -24.4 103 490 A R S < S+ 0 0 67 -3,-2.2 -59,-2.6 1,-0.3 2,-0.2 0.689 73.4 145.6 67.3 21.9 6.1 16.5 -24.7 104 491 A R B -H 43 0D 95 -61,-0.2 -4,-1.9 -4,-0.1 2,-0.6 -0.586 55.2-109.6 -81.3 149.8 5.4 15.1 -28.2 105 492 A V E + D 0 99B 19 -63,-1.1 -6,-0.2 -2,-0.2 3,-0.1 -0.755 44.3 162.3 -97.1 120.6 8.4 15.5 -30.6 106 493 A V E - 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