==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 21-MAY-09 3HJ7 . COMPND 2 MOLECULE: TRNA(ILE)-LYSIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR K.NAKANISHI,L.BONNEFOND,S.KIMURA,T.SUZUKI,R.ISHITANI,O.NUREK . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 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 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 PARALLEL BRIDGES PER LADDER . 1 2 2 3 0 0 0 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 . 1 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 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 1 335 A K 0 0 115 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.7 35.4 -31.9 -33.6 2 336 A G - 0 0 59 52,-0.1 2,-0.3 51,-0.0 86,-0.1 -0.367 360.0-176.4 -77.9 156.9 36.3 -29.4 -30.9 3 337 A Y - 0 0 27 -2,-0.1 51,-1.6 2,-0.0 2,-0.3 -0.942 15.2-163.1-147.6 173.0 33.8 -27.0 -29.2 4 338 A W E -A 53 0A 126 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.911 10.6-180.0-161.9 123.2 33.6 -24.2 -26.6 5 339 A F E -A 52 0A 56 47,-2.7 47,-2.8 -2,-0.3 2,-0.4 -0.997 27.8-135.8-131.5 135.7 30.5 -22.7 -24.8 6 340 A E E -A 51 0A 107 -2,-0.4 45,-0.3 45,-0.2 -2,-0.0 -0.733 36.6-132.9 -76.3 136.0 30.1 -20.0 -22.2 7 341 A L E -A 50 0A 6 43,-3.3 43,-0.6 -2,-0.4 4,-0.1 -0.818 20.8-163.1-104.7 101.6 27.7 -21.7 -19.7 8 342 A P - 0 0 73 0, 0.0 15,-0.1 0, 0.0 3,-0.1 -0.260 22.4-108.7 -70.6 166.0 24.7 -19.6 -18.6 9 343 A V S S+ 0 0 38 1,-0.2 2,-0.2 13,-0.0 15,-0.1 -0.926 101.1 30.9-147.3 124.9 22.7 -20.4 -15.5 10 344 A P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.537 97.8 123.9 -75.3 165.3 20.1 -21.5 -15.6 11 345 A A E -E 23 0B 24 12,-1.7 12,-3.1 -2,-0.2 2,-0.5 -0.913 52.4-141.0-177.6 151.1 20.5 -23.4 -18.9 12 346 A L E -E 22 0B 101 -2,-0.3 10,-0.2 10,-0.2 -3,-0.0 -0.995 28.6-165.5-120.0 121.7 20.2 -26.7 -20.5 13 347 A L E -E 21 0B 24 8,-2.9 8,-1.7 -2,-0.5 2,-0.1 -0.870 8.2-152.2-120.2 97.9 23.1 -27.0 -23.0 14 348 A P E -E 20 0B 75 0, 0.0 6,-0.2 0, 0.0 -2,-0.0 -0.456 18.5-151.6 -66.2 140.4 23.1 -29.8 -25.6 15 349 A L > - 0 0 11 4,-2.6 3,-2.3 -2,-0.1 4,-0.2 -0.844 25.9-113.8-120.3 151.7 26.6 -30.9 -26.6 16 350 A P T 3 S+ 0 0 69 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.595 112.5 66.3 -60.2 -10.1 27.9 -32.4 -29.9 17 351 A N T 3 S- 0 0 15 2,-0.2 3,-0.1 71,-0.2 71,-0.1 0.385 119.7-103.5 -93.7 3.3 28.7 -35.6 -28.0 18 352 A G S < S+ 0 0 38 -3,-2.3 110,-2.2 1,-0.4 2,-0.2 0.502 89.1 103.9 90.2 4.4 25.0 -36.4 -27.4 19 353 A Y E - F 0 127B 94 108,-0.2 -4,-2.6 -4,-0.2 -1,-0.4 -0.702 56.4-143.0-110.7 167.1 25.0 -35.3 -23.7 20 354 A A E -EF 14 126B 5 106,-2.9 106,-2.3 -2,-0.2 2,-0.5 -0.945 3.9-146.6-128.1 151.6 23.7 -32.2 -22.0 21 355 A I E -EF 13 125B 0 -8,-1.7 -8,-2.9 -2,-0.3 2,-0.4 -0.986 17.7-162.5-114.0 126.4 24.9 -30.1 -19.2 22 356 A I E -EF 12 124B 53 102,-2.7 102,-2.3 -2,-0.5 2,-0.3 -0.915 7.5-172.5-109.0 137.7 22.1 -28.5 -17.1 23 357 A S E +EF 11 123B 4 -12,-3.1 -12,-1.7 -2,-0.4 2,-0.3 -0.910 12.5 151.2-126.6 154.7 22.7 -25.6 -14.8 24 358 A E E - F 0 122B 113 98,-1.2 98,-3.3 -2,-0.3 2,-0.3 -0.965 41.9-101.9-169.1 162.6 20.6 -23.8 -12.2 25 359 A F E - F 0 121B 70 -2,-0.3 2,-0.3 96,-0.2 96,-0.2 -0.742 37.8-178.1 -90.8 146.5 20.8 -21.9 -8.9 26 360 A G E - F 0 120B 19 94,-2.3 94,-3.1 -2,-0.3 -2,-0.0 -0.991 27.8-150.0-144.5 149.4 20.0 -23.6 -5.7 27 361 A E S S+ 0 0 128 -2,-0.3 2,-0.3 92,-0.2 -1,-0.1 0.776 78.1 62.3 -88.0 -28.9 19.8 -22.5 -2.1 28 362 A H S S- 0 0 154 92,-0.1 92,-0.1 91,-0.0 3,-0.1 -0.728 82.6-113.7-109.0 147.7 20.8 -25.8 -0.5 29 363 A Y - 0 0 44 -2,-0.3 -2,-0.1 1,-0.1 85,-0.0 -0.592 49.6 -98.3 -74.0 134.4 23.8 -28.0 -0.5 30 364 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 84,-0.0 -0.094 28.0-165.9 -56.2 150.7 23.1 -31.4 -2.2 31 365 A R + 0 0 240 -3,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.479 50.3 114.2-112.2 -11.7 22.3 -34.5 -0.1 32 366 A K S S- 0 0 113 1,-0.1 3,-0.1 3,-0.0 2,-0.1 -0.040 78.5 -81.8 -65.8 163.4 22.7 -37.1 -2.8 33 367 A Q - 0 0 185 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.414 59.7 -88.2 -65.6 139.6 25.3 -39.8 -2.9 34 368 A A + 0 0 97 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.171 63.4 156.1 -46.4 133.1 28.7 -38.7 -4.2 35 369 A G > - 0 0 25 3,-0.2 3,-0.8 -3,-0.1 69,-0.1 -0.974 49.3-125.7-162.2 154.8 28.9 -39.1 -8.0 36 370 A N T 3 S+ 0 0 70 -2,-0.3 68,-2.4 1,-0.2 69,-0.4 0.583 97.4 72.4 -83.4 -8.4 30.7 -37.7 -11.0 37 371 A D T 3 S+ 0 0 75 66,-0.2 88,-2.8 67,-0.2 2,-0.3 0.308 97.0 49.2 -93.3 9.2 27.7 -36.7 -13.1 38 372 A W E < -G 124 0B 21 -3,-0.8 2,-0.3 86,-0.2 86,-0.2 -0.947 65.5-170.2-136.0 163.3 26.7 -33.7 -10.9 39 373 A F E -G 123 0B 1 84,-2.0 84,-2.8 -2,-0.3 2,-0.5 -0.994 12.9-145.2-155.7 145.8 28.7 -30.8 -9.5 40 374 A V E -G 122 0B 0 -2,-0.3 72,-2.9 82,-0.2 2,-0.4 -0.962 16.3-171.0-120.0 126.8 28.3 -27.9 -7.0 41 375 A V E -G 121 0B 3 80,-3.1 80,-2.9 -2,-0.5 70,-0.1 -0.907 19.7-144.3-118.4 142.0 29.9 -24.5 -7.5 42 376 A D > - 0 0 21 -2,-0.4 3,-1.7 68,-0.4 4,-0.4 -0.907 11.7-157.1 -99.0 108.5 30.1 -21.6 -5.1 43 377 A P G > S+ 0 0 28 0, 0.0 3,-1.4 0, 0.0 5,-0.2 0.886 91.3 58.0 -51.2 -42.6 29.8 -18.5 -7.3 44 378 A A G 3 S+ 0 0 96 75,-0.3 76,-0.0 1,-0.3 3,-0.0 0.724 109.4 43.6 -61.9 -23.7 31.5 -16.4 -4.7 45 379 A S G < S+ 0 0 70 -3,-1.7 2,-0.3 65,-0.1 -1,-0.3 0.239 110.5 55.2-111.9 11.9 34.7 -18.6 -4.8 46 380 A V S < S- 0 0 12 -3,-1.4 2,-0.6 -4,-0.4 4,-0.1 -0.998 84.7-108.9-144.7 146.1 35.1 -19.1 -8.6 47 381 A S - 0 0 31 -2,-0.3 48,-3.1 2,-0.1 49,-0.3 -0.630 51.2-112.2 -82.1 116.2 35.4 -16.7 -11.5 48 382 A L S S+ 0 0 85 -2,-0.6 2,-0.1 46,-0.2 46,-0.1 -0.536 81.4 57.6 -90.2 159.3 32.3 -16.6 -13.7 49 383 A P S S- 0 0 59 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.517 71.7-142.6 -82.4 161.0 31.2 -17.2 -16.3 50 384 A L E -A 7 0A 3 -43,-0.6 -43,-3.3 44,-0.2 2,-0.3 -0.501 15.6-156.3 -76.8 154.0 31.8 -20.9 -16.5 51 385 A R E -AB 6 93A 51 42,-2.6 42,-2.5 -45,-0.3 2,-0.5 -0.965 8.7-150.3-127.6 151.6 32.8 -22.4 -19.9 52 386 A V E +AB 5 92A 0 -47,-2.8 -47,-2.7 -2,-0.3 2,-0.3 -0.989 32.5 150.6-120.8 129.6 32.5 -25.9 -21.3 53 387 A R E -AB 4 91A 6 38,-2.5 38,-1.7 -2,-0.5 -49,-0.2 -0.923 42.1 -94.4-151.4 169.3 35.1 -27.0 -23.8 54 388 A T - 0 0 16 -51,-1.6 33,-0.1 -2,-0.3 34,-0.1 -0.438 56.2 -74.7 -91.3 168.4 37.0 -29.9 -25.3 55 389 A R - 0 0 58 31,-0.6 2,-0.3 34,-0.3 -1,-0.2 -0.138 36.5-166.0 -68.4 150.4 40.4 -31.0 -24.2 56 390 A R > - 0 0 134 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.910 37.8 -93.9-121.0 158.9 43.8 -29.4 -25.0 57 391 A R T 3 S+ 0 0 141 -2,-0.3 3,-0.1 1,-0.2 14,-0.0 -0.521 112.2 32.8 -75.7 141.2 47.1 -31.1 -24.5 58 392 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.0 0.204 81.6 154.1 96.9 -13.8 48.7 -30.3 -21.1 59 393 A D < + 0 0 22 -3,-1.5 13,-3.0 12,-0.1 14,-0.4 -0.262 14.9 169.5 -54.7 125.4 45.3 -30.1 -19.5 60 394 A R E -H 71 0C 127 11,-0.3 39,-0.4 12,-0.1 2,-0.3 -0.968 17.0-164.9-137.3 153.3 45.5 -30.8 -15.8 61 395 A M E -H 70 0C 4 9,-2.0 9,-3.2 -2,-0.3 2,-0.5 -0.963 24.8-116.9-136.2 152.5 43.2 -30.5 -12.8 62 396 A V E -H 69 0C 53 37,-0.4 47,-2.1 -2,-0.3 48,-0.3 -0.813 33.1-137.2 -95.3 124.8 43.8 -30.5 -9.1 63 397 A L B -I 108 0D 30 5,-2.8 5,-0.5 -2,-0.5 45,-0.2 -0.296 27.7 -86.0 -78.4 162.9 42.0 -33.4 -7.3 64 398 A K S > S- 0 0 86 43,-0.6 3,-2.1 44,-0.1 -1,-0.1 -0.170 92.5 -7.8 -60.2 159.0 40.1 -33.3 -4.0 65 399 A G T 3 S- 0 0 76 1,-0.3 3,-0.4 2,-0.1 44,-0.1 -0.195 132.4 -25.9 53.6-136.5 42.0 -33.7 -0.7 66 400 A T T 3 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.210 99.6 120.9 -96.0 15.4 45.6 -34.6 -1.1 67 401 A G < - 0 0 51 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.1 0.819 62.3-148.6 -41.5 -42.6 45.0 -36.3 -4.5 68 402 A G - 0 0 38 -5,-0.5 -5,-2.8 -3,-0.4 2,-0.4 -0.344 33.1 -41.0 92.6 179.9 47.4 -33.9 -6.2 69 403 A T E -H 62 0C 87 -7,-0.2 2,-0.4 -2,-0.1 -7,-0.2 -0.687 59.1-166.8 -83.4 133.9 47.4 -32.5 -9.8 70 404 A K E -H 61 0C 25 -9,-3.2 -9,-2.0 -2,-0.4 2,-0.1 -0.976 20.7-123.1-129.6 131.2 46.4 -35.0 -12.5 71 405 A K E > -H 60 0C 90 -2,-0.4 4,-1.3 -11,-0.2 -11,-0.3 -0.421 20.4-132.8 -64.9 137.2 46.7 -34.7 -16.3 72 406 A L H > S+ 0 0 3 -13,-3.0 4,-2.0 1,-0.2 5,-0.2 0.858 104.2 61.7 -60.4 -36.9 43.3 -35.1 -18.1 73 407 A K H > S+ 0 0 85 -14,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.930 101.9 51.6 -53.7 -48.9 44.8 -37.6 -20.6 74 408 A E H > S+ 0 0 94 1,-0.2 4,-2.6 -3,-0.2 -1,-0.2 0.873 107.2 53.8 -57.2 -39.5 45.6 -40.0 -17.7 75 409 A I H X S+ 0 0 7 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.900 108.9 48.2 -63.7 -41.9 42.0 -39.7 -16.5 76 410 A F H <>S+ 0 0 1 -4,-2.0 5,-2.7 2,-0.2 -1,-0.2 0.853 113.2 48.0 -66.4 -36.8 40.7 -40.7 -19.9 77 411 A I H ><5S+ 0 0 96 -4,-2.1 3,-2.7 3,-0.2 -2,-0.2 0.959 109.5 50.3 -70.7 -50.6 43.0 -43.7 -20.2 78 412 A E H 3<5S+ 0 0 110 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.807 111.4 51.2 -56.4 -28.7 42.3 -45.0 -16.8 79 413 A A T 3<5S- 0 0 41 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.391 110.1-127.8 -88.3 3.8 38.6 -44.8 -17.7 80 414 A K T < 5 + 0 0 188 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.886 44.2 173.3 46.3 45.8 39.3 -46.7 -20.9 81 415 A I < - 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