==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-FEB-12 2LQ7 . COMPND 2 MOLECULE: NEDD8-ACTIVATING ENZYME E1 CATALYTIC SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.ELGIN,F.C.PETERSON,B.F.VOLKMAN . 97 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 56.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 2 2.1 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 . 8 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 0 1 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 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 PARALLEL BRIDGES PER LADDER . 1 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 346 A G 0 0 86 0, 0.0 2,-0.4 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0-153.2 -18.5 -0.2 3.5 2 347 A S - 0 0 47 86,-0.2 88,-0.4 1,-0.1 4,-0.1 -0.905 360.0-167.1-108.9 133.1 -17.6 3.4 3.2 3 348 A Q S S+ 0 0 148 -2,-0.4 -1,-0.1 86,-0.1 86,-0.0 0.553 71.3 85.5 -94.2 -9.6 -17.3 5.0 -0.2 4 349 A L S S- 0 0 118 1,-0.1 86,-0.3 86,-0.0 2,-0.1 -0.757 92.1-106.0 -88.2 136.4 -15.5 8.0 1.3 5 350 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 86,-0.3 -0.369 24.9-132.0 -65.9 139.9 -11.8 7.6 1.6 6 351 A Q E -a 91 0A 80 84,-3.4 86,-2.9 -4,-0.1 2,-0.4 -0.689 26.1-125.4 -87.3 141.6 -10.2 7.0 5.0 7 352 A N E +a 92 0A 123 -2,-0.3 2,-0.3 84,-0.2 86,-0.2 -0.780 30.4 173.9-103.1 137.3 -7.2 9.2 5.7 8 353 A I E -a 93 0A 14 84,-2.5 86,-2.6 -2,-0.4 2,-0.4 -0.981 20.6-138.7-136.4 145.7 -3.8 8.0 6.8 9 354 A Q E +a 94 0A 114 -2,-0.3 2,-0.3 84,-0.2 86,-0.2 -0.913 25.2 169.6-112.6 134.6 -0.5 9.8 7.3 10 355 A F E -a 95 0A 14 84,-3.0 86,-2.2 -2,-0.4 -2,-0.0 -0.943 35.0-116.8-137.7 155.7 2.9 8.5 6.2 11 356 A S > - 0 0 65 -2,-0.3 3,-2.8 84,-0.2 56,-0.3 -0.803 31.2-122.5 -91.0 135.1 6.4 9.8 5.9 12 357 A P T 3 S+ 0 0 26 0, 0.0 56,-1.5 0, 0.0 57,-0.4 0.714 111.5 59.5 -51.4 -23.6 7.7 9.8 2.2 13 358 A S T 3 S+ 0 0 91 53,-0.1 2,-0.2 54,-0.1 0, 0.0 0.465 83.1 109.3 -86.3 -1.3 10.6 7.5 3.3 14 359 A A < - 0 0 11 -3,-2.8 53,-2.8 52,-0.1 54,-0.3 -0.490 66.6-127.4 -76.4 144.7 8.1 4.8 4.5 15 360 A K B > -E 66 0B 65 51,-0.3 4,-1.3 -2,-0.2 3,-0.3 -0.508 18.2-115.9 -89.5 161.2 7.9 1.6 2.4 16 361 A L H > S+ 0 0 1 49,-1.5 4,-1.2 46,-0.5 3,-0.2 0.867 118.7 59.3 -63.0 -34.8 4.7 -0.0 1.1 17 362 A Q H > S+ 0 0 76 46,-1.2 4,-1.2 48,-0.3 3,-0.3 0.882 101.2 53.2 -60.3 -38.2 5.5 -2.9 3.4 18 363 A E H > S+ 0 0 85 -3,-0.3 4,-2.0 45,-0.3 -1,-0.2 0.825 101.5 60.6 -65.8 -33.3 5.3 -0.6 6.4 19 364 A V H X S+ 0 0 4 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.869 100.0 55.9 -60.4 -37.2 1.9 0.5 5.2 20 365 A L H X S+ 0 0 10 -4,-1.2 4,-1.1 -3,-0.3 5,-0.4 0.917 108.4 45.9 -63.4 -44.7 0.8 -3.1 5.6 21 366 A D H < S+ 0 0 44 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 116.3 46.6 -65.2 -39.4 1.8 -3.2 9.3 22 367 A Y H < S+ 0 0 128 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.848 101.9 68.1 -70.5 -37.0 0.2 0.1 10.0 23 368 A L H < S- 0 0 38 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.1 0.938 126.0 -30.0 -56.8 -66.6 -3.0 -0.7 8.2 24 369 A T S < S+ 0 0 69 -4,-1.1 2,-0.4 1,-0.4 -3,-0.1 0.668 122.6 0.2-117.8 -70.5 -4.6 -3.3 10.3 25 370 A N - 0 0 83 -5,-0.4 -1,-0.4 1,-0.2 -2,-0.1 -0.938 50.4-155.6-127.3 144.6 -2.2 -5.5 12.2 26 371 A S S S+ 0 0 65 -2,-0.4 -1,-0.2 -4,-0.1 -4,-0.1 0.956 87.1 17.9 -84.0 -60.7 1.5 -5.4 12.3 27 372 A A S > S+ 0 0 80 1,-0.2 3,-1.1 2,-0.2 -2,-0.0 0.884 126.4 46.9 -86.2 -37.6 2.8 -8.9 13.2 28 373 A S T 3 S+ 0 0 88 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.663 111.6 53.6 -78.9 -15.7 -0.2 -11.1 12.7 29 374 A L T 3> S+ 0 0 4 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.301 72.3 116.5 -99.1 10.7 -0.8 -9.6 9.3 30 375 A Q T <4 S+ 0 0 116 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.810 97.3 10.6 -57.8 -38.3 2.7 -10.2 7.9 31 376 A M T 4 S+ 0 0 172 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.516 124.4 67.5-110.7 -12.1 1.7 -12.5 5.1 32 377 A K T 4 S+ 0 0 119 -4,-0.2 51,-0.5 50,-0.0 52,-0.2 0.319 74.8 143.2 -83.0 3.9 -2.0 -11.9 5.5 33 378 A S < - 0 0 8 -4,-0.7 -12,-0.1 1,-0.1 -13,-0.1 -0.177 50.9-115.2 -68.5 139.4 -1.6 -8.3 4.3 34 379 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 48,-0.3 -0.096 29.5-113.6 -57.1 161.4 -4.2 -6.5 2.1 35 380 A A E -B 81 0A 29 46,-3.0 46,-2.9 13,-0.0 2,-0.5 -0.891 23.5-153.2-110.5 132.2 -3.4 -5.5 -1.4 36 381 A I E -B 80 0A 5 -2,-0.5 11,-2.2 44,-0.2 12,-1.6 -0.880 10.8-174.8-109.1 131.5 -3.3 -1.9 -2.3 37 382 A T E -BC 79 46A 34 42,-3.3 42,-3.1 -2,-0.5 2,-0.4 -0.978 4.6-175.3-125.3 138.1 -4.0 -0.7 -5.8 38 383 A A E -BC 78 45A 4 7,-3.3 7,-3.5 -2,-0.4 2,-0.5 -0.966 24.1-127.9-134.1 149.3 -3.6 2.9 -7.0 39 384 A T E - C 0 44A 77 38,-0.5 2,-0.5 -2,-0.4 5,-0.3 -0.855 26.9-173.2 -98.9 129.2 -4.3 4.7 -10.1 40 385 A L E > - C 0 43A 55 3,-3.3 3,-1.6 -2,-0.5 32,-0.0 -0.980 67.4 -19.0-129.7 116.7 -1.3 6.7 -11.4 41 386 A E T 3 S- 0 0 188 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.795 128.2 -50.7 55.5 37.7 -1.6 9.1 -14.3 42 387 A G T 3 S+ 0 0 75 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.498 120.3 103.5 83.4 4.7 -4.8 7.4 -15.5 43 388 A K E < S-C 40 0A 161 -3,-1.6 -3,-3.3 2,-0.0 2,-0.6 -0.927 75.5-115.6-118.2 146.5 -3.4 3.9 -15.4 44 389 A N E -C 39 0A 107 -2,-0.4 2,-0.5 -5,-0.3 -5,-0.3 -0.711 32.0-170.4 -88.0 120.0 -4.0 1.3 -12.7 45 390 A R E -C 38 0A 89 -7,-3.5 -7,-3.3 -2,-0.6 2,-0.6 -0.937 15.3-144.8-110.8 122.7 -0.9 0.5 -10.8 46 391 A T E > -C 37 0A 30 -2,-0.5 5,-0.7 -9,-0.2 -9,-0.2 -0.800 16.5-178.2 -90.0 123.8 -0.9 -2.4 -8.3 47 392 A L T 5S+ 0 0 2 -11,-2.2 -10,-0.2 -2,-0.6 -1,-0.2 0.718 78.9 42.9 -94.5 -26.8 1.3 -1.5 -5.4 48 393 A Y T 5S+ 0 0 66 -12,-1.6 2,-0.2 2,-0.1 15,-0.2 0.887 108.5 59.0 -86.8 -43.5 1.0 -4.7 -3.4 49 394 A L T 5S- 0 0 109 -13,-0.3 2,-2.0 1,-0.1 3,-0.2 -0.602 105.9 -96.3 -83.6 147.6 1.4 -7.2 -6.2 50 395 A Q T 5S+ 0 0 92 -2,-0.2 -3,-0.1 1,-0.2 -1,-0.1 -0.475 70.6 138.4 -71.0 83.0 4.6 -7.0 -8.2 51 396 A S < + 0 0 51 -2,-2.0 2,-0.5 -5,-0.7 -1,-0.2 0.283 49.8 96.8-100.1 2.7 3.4 -4.9 -11.1 52 397 A V S S- 0 0 10 -3,-0.2 2,-0.3 -6,-0.1 10,-0.2 -0.798 76.1-132.9 -93.8 129.5 6.6 -3.0 -10.9 53 398 A T - 0 0 136 -2,-0.5 2,-0.4 8,-0.1 -2,-0.1 -0.656 27.2-163.8 -81.9 141.6 9.3 -4.1 -13.2 54 399 A S - 0 0 31 -2,-0.3 2,-0.2 3,-0.1 4,-0.0 -0.948 17.4-117.7-131.0 148.2 12.7 -4.6 -11.5 55 400 A I S S- 0 0 139 -2,-0.4 2,-1.5 1,-0.0 0, 0.0 -0.562 88.3 -9.0 -84.3 151.0 16.2 -5.0 -12.7 56 401 A E S S- 0 0 167 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.505 123.4 -58.3 63.3 -86.4 18.2 -8.1 -12.0 57 402 A E - 0 0 156 -2,-1.5 -3,-0.1 3,-0.0 -1,-0.1 0.209 53.7-176.8-143.3 -85.6 15.6 -9.7 -9.7 58 403 A R - 0 0 130 2,-0.1 -4,-0.1 3,-0.1 -2,-0.0 0.897 24.9-141.9 65.0 99.8 14.3 -8.1 -6.5 59 404 A T S S+ 0 0 124 1,-0.3 -9,-0.1 2,-0.1 -1,-0.0 0.889 93.4 9.3 -58.7 -43.0 11.9 -10.5 -4.9 60 405 A R S > S+ 0 0 162 1,-0.1 4,-1.6 2,-0.1 -1,-0.3 -0.656 72.8 161.5-140.2 76.5 9.5 -7.8 -3.7 61 406 A P H > S+ 0 0 7 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.871 75.7 54.4 -69.0 -36.6 10.6 -4.5 -5.3 62 407 A N H 4 S+ 0 0 3 1,-0.2 -46,-0.5 2,-0.2 -45,-0.1 0.883 112.1 43.9 -65.2 -40.0 7.3 -2.7 -4.8 63 408 A L H 4 S+ 0 0 21 1,-0.2 -46,-1.2 -47,-0.2 -47,-0.3 0.835 111.8 54.7 -71.8 -33.0 7.4 -3.5 -1.1 64 409 A S H < S+ 0 0 77 -4,-1.6 -2,-0.2 -49,-0.1 -1,-0.2 0.731 97.1 78.7 -75.8 -23.2 11.0 -2.5 -0.8 65 410 A K S < S- 0 0 77 -4,-1.4 -49,-1.5 -5,-0.1 -48,-0.3 -0.449 84.3-110.5 -87.6 159.1 10.5 0.9 -2.3 66 411 A T B > -E 15 0B 13 -51,-0.2 4,-1.6 -2,-0.1 -51,-0.3 -0.408 26.5-111.1 -83.5 165.2 9.2 3.9 -0.5 67 412 A L T 4>S+ 0 0 1 -53,-2.8 5,-2.5 -56,-0.3 4,-0.3 0.865 122.1 52.4 -61.3 -35.9 5.8 5.4 -1.2 68 413 A K T >45S+ 0 0 130 -56,-1.5 3,-1.5 -54,-0.3 -1,-0.2 0.933 109.4 48.0 -66.4 -45.8 7.7 8.4 -2.6 69 414 A E T 345S+ 0 0 108 -57,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.738 104.6 61.3 -66.3 -24.8 9.7 6.2 -4.9 70 415 A L T 3<5S- 0 0 17 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.545 122.7-107.1 -78.6 -7.1 6.5 4.4 -5.9 71 416 A G T < 5 + 0 0 41 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.633 69.0 149.3 92.0 16.2 5.3 7.8 -7.2 72 417 A L < - 0 0 13 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.3 -0.577 21.9-175.1 -85.8 146.4 2.8 8.4 -4.5 73 418 A V > - 0 0 84 -2,-0.2 3,-1.9 20,-0.1 20,-0.2 -0.855 38.0 -75.3-134.2 165.2 2.0 11.9 -3.4 74 419 A D T 3 S+ 0 0 106 -2,-0.3 20,-0.3 1,-0.3 3,-0.1 -0.428 119.7 28.7 -62.7 132.0 -0.1 13.6 -0.7 75 420 A G T 3 S+ 0 0 40 18,-2.8 -1,-0.3 1,-0.4 19,-0.1 0.311 86.4 142.6 98.4 -9.1 -3.7 13.4 -1.6 76 421 A Q E < - D 0 93A 29 -3,-1.9 17,-3.0 17,-0.6 2,-0.4 -0.433 46.0-134.3 -67.7 136.9 -3.3 10.2 -3.5 77 422 A E E - D 0 92A 101 15,-0.2 -38,-0.5 -38,-0.2 2,-0.4 -0.773 17.6-161.9 -97.4 136.3 -6.1 7.8 -3.2 78 423 A L E -BD 38 91A 6 13,-3.3 13,-2.9 -2,-0.4 2,-0.6 -0.943 9.0-150.0-119.3 138.2 -5.4 4.2 -2.6 79 424 A A E -BD 37 90A 31 -42,-3.1 -42,-3.3 -2,-0.4 2,-0.4 -0.949 20.4-170.1-108.9 116.6 -7.8 1.3 -3.1 80 425 A V E -BD 36 89A 4 9,-3.2 9,-2.9 -2,-0.6 2,-0.4 -0.902 11.9-164.1-114.4 134.7 -7.2 -1.5 -0.7 81 426 A A E -BD 35 88A 46 -46,-2.9 -46,-3.0 -2,-0.4 2,-0.3 -0.961 17.2-160.8-115.5 135.6 -8.6 -5.0 -0.8 82 427 A D - 0 0 27 5,-0.8 -49,-0.1 3,-0.6 5,-0.1 -0.777 27.6-145.9-123.2 155.7 -8.3 -7.1 2.3 83 428 A V S S+ 0 0 105 -51,-0.5 -1,-0.1 -2,-0.3 -50,-0.1 0.739 105.5 47.1 -87.3 -28.8 -8.5 -10.7 3.3 84 429 A T S S+ 0 0 86 -52,-0.2 -1,-0.1 1,-0.2 -51,-0.0 0.690 116.3 48.6 -87.3 -18.1 -10.0 -10.1 6.7 85 430 A T S S- 0 0 45 2,-0.1 -3,-0.6 1,-0.0 2,-0.2 -0.985 71.0-149.4-123.6 128.3 -12.5 -7.7 5.2 86 431 A P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.002 74.0 86.8 -83.9 33.0 -14.7 -8.5 2.1 87 432 A Q S S- 0 0 90 -2,-0.2 -5,-0.8 -5,-0.1 2,-0.5 -0.938 77.5-123.3-133.5 150.2 -14.8 -4.9 1.1 88 433 A T E - D 0 81A 94 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.825 31.4-158.8 -91.0 130.1 -12.6 -2.5 -0.9 89 434 A V E - D 0 80A 29 -9,-2.9 -9,-3.2 -2,-0.5 2,-0.4 -0.914 6.3-142.6-114.7 138.8 -11.6 0.4 1.2 90 435 A L E - D 0 79A 54 -88,-0.4 -84,-3.4 -2,-0.4 2,-0.4 -0.843 20.5-174.2-100.4 135.7 -10.4 3.8 -0.1 91 436 A F E -aD 6 78A 29 -13,-2.9 -13,-3.3 -2,-0.4 2,-0.5 -0.953 20.2-141.6-128.2 147.9 -7.7 5.7 1.6 92 437 A K E -aD 7 77A 83 -86,-2.9 -84,-2.5 -2,-0.4 2,-0.6 -0.955 20.2-143.2-105.5 129.7 -6.1 9.0 1.2 93 438 A L E -aD 8 76A 1 -17,-3.0 -18,-2.8 -2,-0.5 -17,-0.6 -0.814 17.3-172.1 -97.7 121.0 -2.4 9.1 1.7 94 439 A H E -a 9 0A 70 -86,-2.6 -84,-3.0 -2,-0.6 2,-0.4 -0.964 12.4-144.0-117.6 127.1 -1.1 12.1 3.4 95 440 A F E -a 10 0A 38 -2,-0.5 2,-0.4 -86,-0.2 -84,-0.2 -0.769 7.9-149.4 -97.4 134.6 2.6 12.8 3.7 96 441 A T 0 0 49 -86,-2.2 -2,-0.0 -2,-0.4 -87,-0.0 -0.804 360.0 360.0-101.2 139.4 4.1 14.4 6.7 97 442 A S 0 0 173 -2,-0.4 -2,-0.0 -86,-0.1 -86,-0.0 -0.660 360.0 360.0-154.1 360.0 7.3 16.5 6.5