==== 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 22-DEC-08 3FN1 . COMPND 2 MOLECULE: NEDD8-ACTIVATING ENZYME E1 CATALYTIC SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.T.HUANG,O.AYRAULT,H.W.HUNT,A.M.TAHERBHOY,D.M.DUDA,D.C.SCOT . 252 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 15.1 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 21 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 1 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 2 0 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 350 A P 0 0 129 0, 0.0 86,-0.2 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0 99.4 -24.5 30.8 11.7 2 351 A Q E -a 87 0A 91 84,-1.3 86,-4.0 1,-0.1 2,-0.3 -0.189 360.0-120.8 -72.8 165.2 -22.1 32.1 9.0 3 352 A N E -a 88 0A 78 84,-0.2 2,-0.4 86,-0.1 86,-0.2 -0.851 20.8-173.4-112.3 145.4 -23.0 33.1 5.4 4 353 A I E -a 89 0A 6 84,-2.5 86,-3.3 -2,-0.3 2,-0.6 -0.999 14.5-146.0-132.4 139.8 -21.9 32.0 2.0 5 354 A Q E +a 90 0A 119 -2,-0.4 2,-0.3 84,-0.2 86,-0.2 -0.909 36.0 140.3-109.7 112.2 -22.8 33.4 -1.4 6 355 A F E -a 91 0A 25 84,-1.6 86,-1.1 -2,-0.6 -2,-0.1 -0.984 45.3-115.9-143.6 153.8 -23.2 31.0 -4.4 7 356 A S > - 0 0 37 -2,-0.3 3,-2.0 85,-0.3 56,-0.4 -0.568 30.0-113.8 -86.2 154.0 -25.5 30.7 -7.3 8 357 A P T 3 S+ 0 0 48 0, 0.0 56,-2.4 0, 0.0 57,-0.4 0.789 118.4 54.2 -52.9 -31.0 -27.8 27.6 -7.8 9 358 A S T 3 S+ 0 0 81 54,-0.2 2,-0.2 53,-0.2 53,-0.0 0.445 82.9 114.5 -86.2 -1.6 -25.8 26.7 -10.9 10 359 A A S < S- 0 0 4 -3,-2.0 53,-2.1 1,-0.1 54,-0.2 -0.499 70.4-117.6 -71.2 136.7 -22.4 26.7 -9.0 11 360 A K B >> -E 62 0B 99 51,-0.3 3,-1.2 -2,-0.2 4,-0.8 -0.391 18.4-117.8 -73.0 151.9 -20.7 23.4 -8.7 12 361 A L H >> S+ 0 0 0 49,-2.6 4,-1.8 46,-0.5 3,-0.6 0.816 112.8 68.4 -58.4 -31.2 -20.1 21.8 -5.3 13 362 A Q H 3> S+ 0 0 85 46,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.838 91.9 58.5 -54.2 -39.4 -16.4 22.1 -6.0 14 363 A E H <> S+ 0 0 77 -3,-1.2 4,-2.0 45,-0.3 -1,-0.2 0.845 104.1 50.8 -64.8 -35.2 -16.6 25.9 -5.8 15 364 A V H -B 39 0A 24 3,-2.4 3,-1.0 -2,-0.5 60,-0.2 -0.981 68.3 -10.5-132.0 120.5 -32.6 16.5 3.1 37 386 A E T 3 S- 0 0 155 -2,-0.4 59,-0.2 1,-0.3 -1,-0.1 0.893 127.3 -54.1 60.4 45.6 -36.0 14.9 3.9 38 387 A G T 3 S+ 0 0 55 57,-2.5 2,-0.3 1,-0.2 -1,-0.3 -0.015 120.3 93.3 86.0 -30.3 -35.0 14.1 7.5 39 388 A K E < S-B 36 0A 160 -3,-1.0 -3,-2.4 56,-0.1 2,-0.2 -0.723 78.4-110.5-102.7 145.8 -31.9 12.1 6.6 40 389 A N E -B 35 0A 12 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.514 27.0-161.4 -68.3 134.8 -28.3 13.3 6.4 41 390 A R E -B 34 0A 112 -7,-3.0 -7,-2.5 -2,-0.2 2,-0.8 -0.990 12.5-140.7-116.6 126.9 -26.8 13.5 3.0 42 391 A T E +B 33 0A 3 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.776 20.0 180.0 -85.4 113.2 -23.0 13.6 2.7 43 392 A L E - 0 0 4 -11,-1.6 2,-0.3 -2,-0.8 15,-0.2 0.950 68.5 -19.5 -78.0 -54.4 -22.2 16.0 -0.1 44 393 A Y E +B 32 0A 12 -12,-2.3 -12,-3.5 14,-0.1 2,-0.4 -0.866 55.5 176.2-159.9 128.3 -18.4 15.7 0.1 45 394 A X E > -B 31 0A 0 -14,-0.3 3,-0.6 -2,-0.3 -14,-0.2 -0.931 2.5-179.2-131.5 106.3 -16.0 14.5 2.8 46 395 A Q T 3 S+ 0 0 68 -16,-1.8 -15,-0.1 -2,-0.4 -1,-0.1 0.430 73.3 69.3 -88.2 9.1 -12.4 14.5 1.8 47 396 A S T 3 S+ 0 0 27 1,-0.2 2,-0.5 -18,-0.1 -1,-0.2 0.586 89.2 60.7-103.5 -16.8 -11.1 13.1 5.1 48 397 A V S X> S- 0 0 0 -3,-0.6 4,-3.8 1,-0.2 3,-0.7 -0.969 71.2-150.5-117.5 115.2 -12.5 9.6 5.0 49 398 A T H 3> S+ 0 0 81 -2,-0.5 4,-2.2 1,-0.2 5,-0.3 0.902 95.1 47.8 -51.1 -53.6 -11.2 7.5 2.2 50 399 A S H 3> S+ 0 0 15 72,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.764 120.7 38.8 -66.0 -24.1 -14.3 5.2 1.7 51 400 A I H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.832 112.6 55.9 -88.6 -39.3 -16.6 8.3 1.8 52 401 A E H X S+ 0 0 30 -4,-3.8 4,-0.9 1,-0.2 -2,-0.2 0.849 110.0 46.8 -59.6 -36.6 -14.3 10.6 -0.2 53 402 A E H < S+ 0 0 127 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.872 115.1 44.7 -75.8 -36.3 -14.2 8.0 -3.0 54 403 A R H < S+ 0 0 147 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.751 120.4 39.3 -82.7 -21.9 -17.9 7.5 -3.1 55 404 A T H >< S+ 0 0 2 -4,-2.1 3,-1.6 -10,-0.2 4,-0.3 0.457 87.0 95.5-104.2 -4.5 -18.8 11.2 -2.8 56 405 A R G >< S+ 0 0 125 -4,-0.9 3,-1.7 1,-0.3 4,-0.2 0.840 76.6 61.6 -56.9 -38.7 -16.1 12.6 -5.2 57 406 A P G > S+ 0 0 80 0, 0.0 3,-0.8 0, 0.0 -1,-0.3 0.680 89.0 72.4 -65.4 -14.0 -18.4 12.6 -8.2 58 407 A N G X S+ 0 0 27 -3,-1.6 3,-1.2 -15,-0.2 -46,-0.5 0.685 78.1 80.5 -67.7 -17.9 -20.7 15.1 -6.4 59 408 A L G < S+ 0 0 29 -3,-1.7 -46,-2.3 -4,-0.3 -45,-0.3 0.799 90.7 47.9 -62.8 -32.6 -18.1 17.8 -6.9 60 409 A S G < S+ 0 0 89 -3,-0.8 -1,-0.3 -4,-0.2 2,-0.2 0.562 93.9 101.5 -82.4 -10.5 -19.1 18.5 -10.5 61 410 A K S < S- 0 0 84 -3,-1.2 -49,-2.6 -4,-0.2 -48,-0.2 -0.513 74.4-120.9 -79.8 142.1 -22.8 18.7 -9.5 62 411 A T B > -E 11 0B 23 -51,-0.3 4,-2.0 -2,-0.2 -51,-0.3 -0.418 23.7-113.7 -74.4 156.5 -24.5 22.1 -9.1 63 412 A L T 4>S+ 0 0 0 -53,-2.1 5,-2.0 -56,-0.4 4,-0.5 0.899 121.3 50.9 -56.1 -42.6 -26.0 23.1 -5.7 64 413 A K T >45S+ 0 0 128 -56,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.926 107.9 53.3 -56.1 -47.7 -29.4 22.9 -7.4 65 414 A E T 345S+ 0 0 112 -57,-0.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 102.9 56.9 -59.1 -38.0 -28.6 19.5 -8.8 66 415 A L T 3<5S- 0 0 20 -4,-2.0 -1,-0.3 -8,-0.1 -2,-0.2 0.583 122.1-104.6 -74.2 -10.9 -27.8 18.2 -5.3 67 416 A G T < 5 + 0 0 36 -3,-1.5 2,-0.5 -4,-0.5 -3,-0.2 0.719 65.7 155.8 94.7 27.4 -31.2 19.1 -4.1 68 417 A L < - 0 0 8 -5,-2.0 -1,-0.3 -60,-0.1 2,-0.2 -0.757 27.8-152.1 -92.7 127.3 -30.2 22.2 -2.1 69 418 A V > - 0 0 89 -2,-0.5 3,-1.9 1,-0.1 20,-0.2 -0.614 33.5 -84.2 -95.0 155.0 -32.9 24.9 -1.5 70 419 A D T 3 S+ 0 0 104 1,-0.3 20,-0.1 -2,-0.2 -1,-0.1 -0.339 115.0 19.2 -61.2 132.2 -32.2 28.7 -0.9 71 420 A G T 3 S+ 0 0 21 18,-2.1 -1,-0.3 1,-0.3 19,-0.1 0.344 89.2 152.5 91.0 -4.2 -31.3 29.6 2.7 72 421 A Q < - 0 0 9 -3,-1.9 17,-1.9 17,-0.2 2,-0.4 -0.253 42.6-127.6 -65.7 143.4 -30.4 26.0 3.5 73 422 A E E - D 0 88A 67 23,-0.5 -38,-0.5 15,-0.2 2,-0.4 -0.782 18.0-154.1 -93.1 131.9 -27.9 25.3 6.3 74 423 A L E - D 0 87A 1 13,-2.3 13,-1.7 -2,-0.4 2,-0.8 -0.900 10.8-137.6-105.4 134.7 -24.9 23.1 5.5 75 424 A A E +CD 33 86A 0 -42,-2.1 -42,-2.2 -2,-0.4 2,-0.4 -0.837 31.8 176.4 -91.9 108.9 -23.1 21.2 8.2 76 425 A V E +CD 32 85A 2 9,-1.9 9,-2.4 -2,-0.8 2,-0.3 -0.934 8.5 177.2-117.3 141.7 -19.4 21.4 7.6 77 426 A A E +C 31 0A 0 -46,-1.6 -46,-3.5 -2,-0.4 2,-0.3 -0.958 4.5 163.9-137.8 157.5 -16.5 20.1 9.7 78 427 A D > - 0 0 3 -2,-0.3 3,-0.8 -48,-0.2 33,-0.1 -0.926 53.2 -92.8-159.8 171.0 -12.7 20.1 9.3 79 428 A V T 3 S+ 0 0 105 -2,-0.3 -52,-0.1 1,-0.2 -1,-0.0 0.834 123.8 54.3 -61.2 -33.0 -9.5 19.6 11.3 80 429 A T T 3 S+ 0 0 76 -3,-0.0 -1,-0.2 -54,-0.0 3,-0.1 0.470 93.2 81.0 -88.0 -6.0 -9.3 23.4 11.9 81 430 A T < - 0 0 15 -3,-0.8 -3,-0.2 1,-0.1 3,-0.1 -0.888 67.2-152.4 -97.8 131.0 -12.9 23.6 13.4 82 431 A P S S+ 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.918 83.8 0.5 -65.9 -43.7 -13.2 22.6 17.1 83 432 A Q S S- 0 0 147 -3,-0.1 -5,-0.1 1,-0.0 21,-0.1 -0.853 104.4 -62.0-133.1 172.4 -16.8 21.6 16.4 84 433 A T - 0 0 17 19,-0.3 2,-0.5 -2,-0.3 -7,-0.2 -0.332 49.9-153.2 -56.0 129.4 -19.2 21.5 13.4 85 434 A V E - D 0 76A 46 -9,-2.4 -9,-1.9 -2,-0.0 2,-0.3 -0.932 7.3-138.3-109.0 129.9 -19.8 25.0 12.0 86 435 A L E - D 0 75A 35 -2,-0.5 -84,-1.3 -11,-0.2 2,-0.4 -0.628 12.5-157.5 -87.6 147.0 -23.1 25.7 10.1 87 436 A F E -aD 2 74A 6 -13,-1.7 -13,-2.3 -2,-0.3 2,-0.5 -0.991 10.3-140.2-129.0 125.7 -23.1 27.8 6.9 88 437 A K E -aD 3 73A 81 -86,-4.0 -84,-2.5 -2,-0.4 2,-0.7 -0.750 21.2-135.3 -88.6 125.0 -26.2 29.7 5.6 89 438 A L E -a 4 0A 0 -17,-1.9 -18,-2.1 -2,-0.5 2,-0.8 -0.706 16.8-167.3 -91.2 111.2 -26.5 29.4 1.8 90 439 A H E -a 5 0A 91 -86,-3.3 -84,-1.6 -2,-0.7 2,-0.9 -0.856 14.3-144.8-101.8 106.2 -27.4 32.7 0.0 91 440 A F E a 6 0A 39 -2,-0.8 -84,-0.2 -86,-0.2 -86,-0.1 -0.584 360.0 360.0 -72.3 101.6 -28.4 32.0 -3.6 92 441 A T 0 0 110 -86,-1.1 -85,-0.3 -2,-0.9 -1,-0.2 0.356 360.0 360.0 -83.8 360.0 -27.1 34.9 -5.7 93 !* 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 94 26 B S 0 0 158 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.9 -38.2 22.5 7.7 95 27 B T + 0 0 65 1,-0.2 -57,-2.5 -60,-0.0 -58,-0.1 0.092 360.0 78.7 -92.6 18.1 -37.2 18.8 7.3 96 28 B R + 0 0 22 -59,-0.2 -23,-0.5 -60,-0.2 2,-0.4 -0.211 64.8 116.2-119.7 36.5 -33.8 20.2 6.2 97 29 B R - 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0 0 4 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.494 36.0-116.2 -58.9 144.6 -4.7 3.0 15.8 118 50 B C T 3 S+ 0 0 120 1,-0.3 -2,-0.1 -2,-0.1 -3,-0.0 0.792 117.3 61.1 -48.5 -32.8 -2.3 1.9 13.1 119 51 B T T 3 S+ 0 0 21 18,-0.1 19,-2.9 2,-0.0 2,-0.3 0.469 98.9 77.2 -76.7 -0.2 -3.8 -1.6 13.6 120 52 B C E < -F 137 0C 1 -3,-2.3 2,-0.3 17,-0.2 17,-0.2 -0.785 51.3-176.0-120.3 153.6 -7.3 -0.3 12.6 121 53 B K E -F 136 0C 142 15,-1.6 15,-2.4 -2,-0.3 2,-0.4 -0.977 13.8-146.0-143.7 157.1 -9.2 0.6 9.4 122 54 B V E -F 135 0C 11 -2,-0.3 2,-0.4 13,-0.2 -72,-0.3 -0.946 10.2-171.7-131.3 138.8 -12.7 2.0 8.9 123 55 B H E -F 134 0C 91 11,-2.8 11,-3.1 -2,-0.4 3,-0.1 -0.987 11.7-160.4-138.1 132.3 -15.3 1.5 6.2 124 56 B F - 0 0 1 -2,-0.4 9,-0.1 9,-0.2 6,-0.0 -0.858 2.4-168.8-110.4 95.7 -18.6 3.3 5.5 125 57 B P S S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.763 85.7 33.2 -55.5 -27.8 -20.8 1.0 3.3 126 58 B D S S- 0 0 56 6,-0.4 6,-0.2 3,-0.3 3,-0.2 -0.977 72.7-154.7-132.4 117.6 -23.1 4.0 2.7 127 59 B P S S+ 0 0 13 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.686 95.7 51.7 -67.7 -19.9 -21.6 7.6 2.7 128 60 B N S S+ 0 0 58 1,-0.2 2,-2.0 -87,-0.1 3,-0.2 0.859 94.6 74.6 -80.2 -36.5 -24.8 9.3 3.8 129 61 B K > + 0 0 103 1,-0.2 3,-1.1 -3,-0.2 -3,-0.3 -0.510 53.0 162.5 -78.5 77.1 -25.2 7.0 6.8 130 62 B L T 3 S+ 0 0 1 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.663 70.7 68.7 -69.4 -14.4 -22.5 8.5 9.0 131 63 B H T 3 S+ 0 0 40 -3,-0.2 24,-1.9 1,-0.1 2,-0.3 0.124 97.6 63.4 -87.4 20.3 -24.2 6.7 11.9 132 64 B C E < + G 0 154C 37 -3,-1.1 -6,-0.4 22,-0.2 2,-0.3 -0.924 59.5 135.7-155.8 115.9 -23.0 3.4 10.4 133 65 B F E - 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