==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-JAN-06 1VS0 . COMPND 2 MOLECULE: PUTATIVE DNA LIGASE-LIKE PROTEIN RV0938/MT0965; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.AKEY,A.MARTINS,J.ANIUKWU,M.S.GLICKMAN,S.SHUMAN,J.M.BERGER, . 604 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 169 28.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 42 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 2 2 2 0 0 0 1 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 PARALLEL BRIDGES PER LADDER . 7 3 4 0 3 7 2 4 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 0 1 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 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 1 453 A F 0 0 109 0, 0.0 2,-0.7 0, 0.0 110,-0.0 0.000 360.0 360.0 360.0 95.7 -16.9 49.6 109.8 2 454 A E >> - 0 0 105 1,-0.2 3,-2.0 2,-0.0 4,-0.6 -0.906 360.0-159.7-110.2 109.8 -15.7 53.1 108.8 3 455 A F G >4 S+ 0 0 7 -2,-0.7 3,-1.1 1,-0.3 -1,-0.2 0.866 93.4 56.8 -57.3 -39.1 -12.7 54.3 110.6 4 456 A D G 34 S+ 0 0 71 1,-0.2 -1,-0.3 49,-0.0 -2,-0.0 0.450 101.4 58.6 -79.1 8.0 -13.5 58.0 109.8 5 457 A N G <4 S+ 0 0 130 -3,-2.0 2,-0.2 2,-0.0 -1,-0.2 0.573 87.2 104.1 -92.8 -15.9 -16.9 57.5 111.5 6 458 A L << + 0 0 9 -3,-1.1 30,-0.1 -4,-0.6 45,-0.1 -0.449 40.9 173.9 -77.2 134.9 -15.4 56.5 114.8 7 459 A A - 0 0 31 -2,-0.2 168,-0.9 43,-0.1 169,-0.2 -0.951 41.8 -86.9-127.4 152.7 -15.1 58.7 117.8 8 460 A P - 0 0 4 0, 0.0 167,-0.7 0, 0.0 2,-0.2 -0.179 35.3-118.2 -53.5 142.5 -13.9 57.6 121.3 9 461 A X - 0 0 0 165,-0.2 2,-0.3 166,-0.2 168,-0.2 -0.592 37.7-138.5 -71.1 148.3 -16.2 56.0 123.9 10 462 A L E -a 177 0A 27 166,-3.2 168,-2.6 163,-0.3 171,-0.2 -0.878 2.1-124.6-121.5 149.8 -16.3 58.2 127.0 11 463 A A E -a 178 0A 2 -2,-0.3 2,-0.4 166,-0.2 171,-0.2 -0.559 17.8-127.2 -92.4 150.4 -16.2 57.6 130.8 12 464 A T E -a 182 0A 47 169,-3.7 171,-2.8 166,-0.7 2,-0.2 -0.783 29.2-114.1 -91.8 133.4 -18.7 58.8 133.4 13 465 A H E +a 183 0A 107 -2,-0.4 2,-0.3 169,-0.2 171,-0.2 -0.541 67.5 109.5 -65.7 129.4 -17.4 60.6 136.4 14 466 A G - 0 0 19 169,-2.4 2,-0.4 -2,-0.2 171,-0.2 -0.936 63.0 -63.8-176.0-163.7 -17.9 58.4 139.4 15 467 A T - 0 0 85 -2,-0.3 169,-0.1 1,-0.1 133,-0.1 -0.892 20.9-173.2-118.1 140.9 -16.6 56.2 142.2 16 468 A V > + 0 0 0 -2,-0.4 3,-2.0 132,-0.1 2,-0.1 0.618 55.3 104.6-107.6 -16.3 -14.7 52.8 141.9 17 469 A A T 3 S+ 0 0 60 1,-0.3 3,-0.1 131,-0.2 -2,-0.1 -0.464 86.9 28.9 -61.4 134.3 -14.5 51.8 145.5 18 470 A G T 3 S+ 0 0 70 1,-0.4 -1,-0.3 -2,-0.1 2,-0.2 0.206 89.8 127.2 95.3 -18.7 -17.1 49.1 146.0 19 471 A L < - 0 0 36 -3,-2.0 129,-3.2 1,-0.1 2,-0.4 -0.510 57.0-128.3 -72.5 144.6 -16.9 47.9 142.4 20 472 A K >> - 0 0 123 127,-0.2 3,-2.1 -2,-0.2 4,-1.7 -0.816 3.4-139.5-103.0 130.8 -16.3 44.1 142.0 21 473 A A T 34 S+ 0 0 30 -2,-0.4 -1,-0.1 1,-0.3 126,-0.1 0.695 101.9 68.2 -51.8 -26.8 -13.5 42.6 139.8 22 474 A S T 34 S+ 0 0 84 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.739 117.4 23.0 -71.0 -20.8 -16.0 40.0 138.7 23 475 A Q T <4 S+ 0 0 79 -3,-2.1 145,-2.1 1,-0.2 146,-0.5 0.556 123.1 51.6-112.8 -20.0 -17.9 42.7 136.9 24 476 A W E < -B 167 0A 26 -4,-1.7 2,-0.4 143,-0.3 143,-0.2 -0.966 59.9-148.3-132.6 139.5 -15.4 45.4 136.3 25 477 A A E -B 166 0A 0 141,-2.8 141,-2.7 -2,-0.4 2,-0.6 -0.846 22.4-140.9-102.9 143.6 -11.9 45.7 134.8 26 478 A F E +B 165 0A 3 118,-0.5 118,-3.6 -2,-0.4 2,-0.3 -0.941 22.2 178.0-117.0 112.9 -9.7 48.4 136.4 27 479 A E E -B 164 0A 5 137,-2.9 137,-2.9 -2,-0.6 116,-0.1 -0.808 35.3-102.8-109.8 148.8 -7.4 50.5 134.3 28 480 A G E -B 163 0A 1 114,-0.4 2,-0.4 -2,-0.3 136,-0.2 -0.151 30.8-133.0 -71.7 143.2 -5.1 53.3 135.2 29 481 A X E +B 162 0A 62 133,-1.1 132,-0.8 134,-0.2 133,-0.8 -0.978 34.0 179.7-105.1 111.8 -6.4 56.9 134.3 30 482 A W - 0 0 6 -2,-0.4 2,-0.5 130,-0.1 59,-0.1 -0.982 28.5-119.9-124.6 164.6 -3.6 59.0 132.6 31 483 A D + 0 0 42 -2,-0.3 50,-0.4 57,-0.3 2,-0.3 -0.786 64.2 86.5 -93.3 129.5 -3.2 62.4 131.1 32 484 A G S S- 0 0 20 -2,-0.5 2,-0.5 48,-0.1 48,-0.2 -0.903 81.2 -46.3 178.4-157.3 -2.4 62.7 127.4 33 485 A Y E -D 79 0B 99 46,-2.2 46,-3.1 -2,-0.3 2,-0.2 -0.923 49.3-131.1-103.9 123.9 -4.1 62.8 124.0 34 486 A R E -D 78 0B 6 -2,-0.5 15,-0.6 44,-0.2 2,-0.4 -0.563 35.4-174.9 -67.5 135.7 -6.8 60.3 123.3 35 487 A L E -DE 77 48B 2 42,-2.5 42,-1.4 -2,-0.2 2,-0.5 -0.998 28.5-151.7-143.3 131.4 -6.1 58.7 119.9 36 488 A L E -DE 76 47B 1 11,-2.4 11,-2.6 -2,-0.4 2,-0.5 -0.909 26.7-162.2 -95.1 131.7 -7.8 56.2 117.6 37 489 A V E -DE 75 46B 1 38,-2.6 38,-2.5 -2,-0.5 2,-0.6 -0.961 14.9-162.4-121.5 122.0 -5.1 54.4 115.6 38 490 A E E -DE 74 45B 20 7,-3.0 7,-1.6 -2,-0.5 2,-0.7 -0.903 8.5-177.8 -99.0 119.4 -5.5 52.4 112.3 39 491 A A E -DE 73 44B 0 34,-2.5 34,-2.8 -2,-0.6 2,-0.9 -0.906 6.5-177.7-116.5 96.6 -2.6 50.2 111.7 40 492 A D E > -DE 72 43B 56 3,-2.5 3,-2.2 -2,-0.7 32,-0.3 -0.811 65.6 -52.1-102.2 94.6 -3.3 48.5 108.3 41 493 A H T 3 S- 0 0 111 30,-2.8 28,-0.2 -2,-0.9 31,-0.1 0.830 124.9 -28.6 47.6 43.2 -0.6 46.1 107.4 42 494 A G T 3 S+ 0 0 18 23,-0.5 -1,-0.3 29,-0.4 2,-0.3 0.029 117.9 104.7 110.0 -25.6 2.2 48.6 107.9 43 495 A A E < -E 40 0B 62 -3,-2.2 -3,-2.5 22,-0.1 2,-0.4 -0.665 54.2-152.0 -92.5 147.6 0.3 51.8 107.1 44 496 A V E +E 39 0B 23 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.962 18.2 172.8-125.2 137.6 -0.9 54.2 109.8 45 497 A R E -E 38 0B 88 -7,-1.6 -7,-3.0 -2,-0.4 2,-0.4 -0.984 15.7-159.8-133.1 142.5 -3.7 56.7 110.1 46 498 A L E -E 37 0B 2 -2,-0.3 8,-1.3 -9,-0.2 9,-0.7 -0.955 6.8-166.5-130.3 137.9 -4.6 58.6 113.3 47 499 A R E -EF 36 53B 33 -11,-2.6 -11,-2.4 -2,-0.4 6,-0.2 -0.991 16.0-138.7-122.4 134.2 -7.7 60.4 114.6 48 500 A S E > -E 35 0B 15 4,-2.1 3,-2.3 -2,-0.4 -13,-0.2 -0.290 40.0 -93.7 -77.6 173.9 -7.9 62.8 117.5 49 501 A R T 3 S+ 0 0 118 -15,-0.6 -14,-0.1 1,-0.3 -1,-0.1 0.708 129.1 52.8 -66.0 -20.6 -10.8 62.6 120.0 50 502 A S T 3 S- 0 0 93 -43,-0.1 -1,-0.3 2,-0.1 -43,-0.1 0.256 123.0-105.0 -97.1 9.9 -12.6 65.3 117.9 51 503 A G < + 0 0 23 -3,-2.3 -2,-0.1 1,-0.3 2,-0.1 0.512 69.3 146.9 83.3 5.4 -12.1 63.3 114.7 52 504 A R - 0 0 125 1,-0.1 -4,-2.1 2,-0.0 2,-1.0 -0.449 56.5-114.9 -71.3 148.4 -9.3 65.4 113.1 53 505 A D B +F 47 0B 108 -6,-0.2 3,-0.3 1,-0.1 -6,-0.2 -0.757 42.8 167.9 -84.3 103.7 -6.8 63.5 111.0 54 506 A V >> + 0 0 3 -8,-1.3 3,-1.7 -2,-1.0 4,-0.6 0.115 30.3 124.8-107.4 24.5 -3.6 63.9 113.0 55 507 A T G >4 S+ 0 0 38 -9,-0.7 3,-1.2 1,-0.3 6,-0.2 0.862 73.4 49.7 -47.1 -46.0 -1.5 61.3 111.2 56 508 A A G 34 S+ 0 0 95 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.598 97.4 68.8 -76.7 -12.9 1.3 63.8 110.4 57 509 A E G <4 S+ 0 0 82 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.641 105.6 40.9 -79.9 -16.9 1.6 65.0 113.9 58 510 A Y X< + 0 0 4 -3,-1.2 3,-2.0 -4,-0.6 -1,-0.2 -0.486 58.6 158.7-133.6 64.4 3.0 61.7 115.1 59 511 A P G > S+ 0 0 70 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.800 73.9 67.9 -57.4 -27.1 5.5 60.3 112.5 60 512 A Q G > S+ 0 0 75 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.685 84.3 69.0 -71.5 -17.2 7.0 58.1 115.2 61 513 A L G <> S+ 0 0 7 -3,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.474 78.8 81.4 -77.7 -3.1 3.8 56.1 115.4 62 514 A R H <> S+ 0 0 170 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.839 85.7 58.3 -62.4 -37.4 4.7 54.7 112.0 63 515 A A H <> S+ 0 0 70 -3,-0.9 4,-2.5 -4,-0.3 5,-0.2 0.885 102.4 54.3 -60.4 -39.6 7.1 52.3 113.8 64 516 A L H > S+ 0 0 26 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.944 107.8 48.6 -57.7 -49.9 4.1 51.0 115.7 65 517 A A H < S+ 0 0 0 -4,-1.5 -23,-0.5 2,-0.2 -1,-0.2 0.858 111.6 50.0 -64.5 -31.2 2.2 50.3 112.5 66 518 A E H >< S+ 0 0 126 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.930 107.4 52.7 -73.3 -42.3 5.2 48.5 111.0 67 519 A D H 3< S+ 0 0 69 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.901 113.0 46.1 -54.2 -40.5 5.7 46.4 114.1 68 520 A L T >< S+ 0 0 1 -4,-2.3 3,-2.2 -5,-0.2 -27,-0.4 0.114 77.7 125.3 -87.4 26.0 2.0 45.4 113.7 69 521 A A T < + 0 0 28 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.568 61.3 64.9 -70.0 -9.3 2.4 44.8 109.9 70 522 A D T 3 S+ 0 0 137 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.3 0.667 106.7 57.4 -76.3 -16.5 1.0 41.2 110.0 71 523 A H < - 0 0 41 -3,-2.2 -30,-2.8 -6,-0.2 2,-0.6 -0.774 65.5-144.1-125.1 155.7 -2.3 42.8 111.0 72 524 A H E +D 40 0B 33 -2,-0.3 41,-2.8 -32,-0.3 2,-0.3 -0.973 44.1 164.2-110.1 113.0 -5.0 45.2 110.2 73 525 A V E -DG 39 112B 0 -34,-2.8 -34,-2.5 -2,-0.6 2,-0.5 -0.938 37.0-152.1-130.8 153.2 -6.1 46.8 113.5 74 526 A V E -DG 38 111B 0 37,-1.9 36,-3.6 -2,-0.3 37,-1.0 -0.989 28.6-171.7-118.9 122.9 -8.1 49.7 115.0 75 527 A L E -DG 37 109B 0 -38,-2.5 -38,-2.6 -2,-0.5 2,-0.4 -0.847 17.6-153.5-116.8 146.1 -6.8 50.6 118.5 76 528 A D E +DG 36 108B 0 32,-2.6 31,-2.9 -2,-0.3 32,-1.7 -0.928 42.4 111.7-113.0 140.9 -8.1 53.0 121.2 77 529 A G E -DG 35 106B 0 -42,-1.4 -42,-2.5 -2,-0.4 2,-0.5 -0.978 57.8 -73.8 179.1-167.7 -5.6 54.5 123.6 78 530 A E E -DG 34 105B 1 27,-2.7 27,-3.2 -2,-0.3 2,-0.4 -0.971 22.8-144.1-125.1 122.7 -3.6 57.3 124.9 79 531 A A E -DG 33 104B 0 -46,-3.1 -46,-2.2 -2,-0.5 2,-0.3 -0.713 38.3-177.3 -75.3 133.8 -0.7 59.2 123.4 80 532 A V E - G 0 103B 0 23,-2.8 23,-2.4 -2,-0.4 2,-0.4 -0.929 33.0-157.5-143.9 144.1 1.4 60.0 126.4 81 533 A V - 0 0 7 -50,-0.4 8,-2.2 -2,-0.3 12,-0.3 -0.984 30.2-138.1-125.8 120.8 4.7 61.8 127.4 82 534 A L B -I 88 0C 45 -2,-0.4 19,-0.1 19,-0.3 2,-0.0 -0.461 4.9-138.0 -81.5 147.9 6.1 60.6 130.7 83 535 A D > - 0 0 56 4,-2.4 3,-1.1 -2,-0.2 -1,-0.1 -0.062 45.3 -83.0 -83.0-166.2 7.6 62.7 133.5 84 536 A S T 3 S+ 0 0 126 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.488 130.6 57.1 -86.7 -0.0 10.8 61.7 135.4 85 537 A S T 3 S- 0 0 104 2,-0.2 -1,-0.3 74,-0.1 -3,-0.0 0.394 120.7-109.0-103.8 -2.6 8.8 59.4 137.7 86 538 A G S < S+ 0 0 34 -3,-1.1 -2,-0.1 1,-0.3 -4,-0.1 0.655 77.1 129.8 89.3 19.0 7.5 57.5 134.6 87 539 A V - 0 0 22 1,-0.1 -4,-2.4 72,-0.1 -1,-0.3 -0.877 67.0-103.3-110.6 132.3 4.0 58.8 134.9 88 540 A P B -I 82 0C 10 0, 0.0 2,-0.4 0, 0.0 -57,-0.3 -0.205 43.7-160.4 -49.7 143.9 2.1 60.3 131.9 89 541 A S > - 0 0 18 -8,-2.2 4,-1.7 1,-0.1 -8,-0.3 -0.992 25.7-151.4-140.1 137.4 2.0 64.1 132.2 90 542 A F H > S+ 0 0 116 -2,-0.4 4,-2.7 1,-0.2 5,-0.1 0.915 101.1 46.7 -71.6 -42.4 -0.2 66.8 130.7 91 543 A S H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.793 108.9 55.3 -75.5 -22.9 2.4 69.6 130.8 92 544 A Q H 4 S+ 0 0 86 -11,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.900 111.6 45.1 -70.5 -40.2 5.1 67.3 129.3 93 545 A X H >< S+ 0 0 3 -4,-1.7 3,-1.1 -12,-0.3 -2,-0.2 0.897 112.1 51.2 -65.4 -44.2 2.8 66.6 126.4 94 546 A Q H 3< S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.9 44.5 -59.7 -39.9 1.9 70.3 126.1 95 547 A N T 3< S+ 0 0 114 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.323 84.6 147.6 -91.6 9.2 5.6 71.2 126.0 96 548 A R < - 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