==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-NOV-11 4A7K . COMPND 2 MOLECULE: ALDOS-2-ULOSE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR M.CLAESSON,Y.LINDQVIST,S.MADRID,T.SANDALOVA,R.FISKESUND,S.YU . 879 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 327 37.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 1 0.1 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 . 71 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 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 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 . 14 6 5 9 12 6 7 2 1 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 6 2 1 0 1 1 0 1 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 15 A Q 0 0 139 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.6 24.7 39.2 27.9 2 16 A P - 0 0 112 0, 0.0 2,-0.3 0, 0.0 359,-0.0 -0.364 360.0-103.8 -49.3 149.9 24.8 41.2 31.0 3 17 A A - 0 0 9 438,-0.0 2,-0.2 330,-0.0 437,-0.2 -0.658 32.3-143.4 -81.5 140.1 22.8 39.3 33.6 4 18 A A - 0 0 40 435,-3.2 437,-0.3 -2,-0.3 431,-0.0 -0.604 27.1 -97.6 -89.9 158.8 19.3 40.5 34.3 5 19 A L - 0 0 48 -2,-0.2 326,-0.1 1,-0.1 -1,-0.1 -0.440 39.5-117.9 -69.3 152.2 17.8 40.4 37.8 6 20 A P - 0 0 9 0, 0.0 414,-0.2 0, 0.0 2,-0.2 -0.350 31.5-101.8 -74.1 169.0 15.5 37.4 38.6 7 21 A L E -A 419 0A 34 412,-2.9 412,-3.0 -2,-0.1 2,-0.4 -0.522 33.0-138.3 -79.6 168.9 11.8 38.0 39.4 8 22 A F E -A 418 0A 30 410,-0.2 410,-0.2 -2,-0.2 386,-0.0 -0.995 5.6-153.0-131.6 125.5 10.7 37.8 43.1 9 23 A Q E -A 417 0A 34 408,-2.4 408,-2.7 -2,-0.4 2,-0.1 -0.899 25.0-140.9 -89.1 111.8 7.5 36.1 44.4 10 24 A P E -A 416 0A 71 0, 0.0 2,-0.3 0, 0.0 406,-0.2 -0.455 22.2-178.8 -71.0 146.3 6.6 37.9 47.7 11 25 A Q E -A 415 0A 28 404,-2.1 404,-2.3 -2,-0.1 2,-0.7 -0.966 28.4-127.1-143.0 133.9 5.3 35.9 50.7 12 26 A L E -A 414 0A 94 -2,-0.3 402,-0.2 402,-0.2 3,-0.2 -0.724 25.3-179.7 -78.6 116.5 4.2 37.1 54.1 13 27 A V E S- 0 0 13 400,-1.9 56,-0.4 -2,-0.7 2,-0.3 0.899 73.1 -8.5 -78.8 -45.7 6.2 35.1 56.6 14 28 A Q E S-A 413 0A 30 399,-1.8 399,-2.7 41,-0.0 -1,-0.3 -0.878 71.9-175.9-155.2 118.4 4.7 36.7 59.8 15 29 A G + 0 0 34 -2,-0.3 397,-0.2 397,-0.2 395,-0.0 -0.513 58.4 43.0-106.5 177.9 2.4 39.8 59.9 16 30 A G + 0 0 63 1,-0.2 396,-0.2 -2,-0.2 -1,-0.2 0.765 69.6 164.9 62.4 32.2 0.9 41.8 62.6 17 31 A R - 0 0 18 394,-2.6 -1,-0.2 -3,-0.2 3,-0.1 -0.460 43.1-131.6 -77.0 151.3 4.0 41.9 64.8 18 32 A P S S- 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.711 84.2 -16.0 -71.4 -20.0 4.1 44.5 67.7 19 33 A D - 0 0 1 392,-0.1 2,-0.3 383,-0.1 383,-0.2 -0.927 64.7-148.0-164.9 177.8 7.6 45.7 66.6 20 34 A G B +D 401 0B 0 381,-2.6 381,-2.9 -2,-0.3 22,-0.3 -0.943 31.2 137.1-167.3 149.1 10.6 44.6 64.4 21 35 A Y + 0 0 8 20,-1.5 2,-0.4 1,-0.3 21,-0.2 0.361 62.5 45.2-153.6 -46.1 14.3 44.8 64.3 22 36 A W E +E 41 0C 1 19,-2.7 19,-1.5 375,-0.1 2,-0.3 -0.919 43.0 174.3-125.9 138.9 16.2 41.7 63.3 23 37 A V E +E 40 0C 1 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.989 11.3 177.7-135.5 144.5 15.8 39.0 60.7 24 38 A E E -E 39 0C 19 15,-1.8 15,-2.5 -2,-0.3 2,-0.6 -0.992 32.5-125.8-147.3 136.8 18.3 36.2 60.2 25 39 A A E -E 38 0C 12 -2,-0.3 13,-0.2 13,-0.2 358,-0.1 -0.778 35.9-166.7 -80.3 123.9 18.5 33.1 57.9 26 40 A F E -E 37 0C 0 11,-3.1 11,-2.6 -2,-0.6 2,-0.3 -0.877 12.9-154.5-121.2 101.5 19.0 30.3 60.3 27 41 A P - 0 0 12 0, 0.0 67,-0.2 0, 0.0 6,-0.1 -0.591 8.5-150.6 -74.0 134.7 20.1 26.9 59.0 28 42 A F S S+ 0 0 34 -2,-0.3 66,-1.9 65,-0.1 2,-0.3 0.885 82.4 47.4 -74.6 -32.1 18.9 24.3 61.5 29 43 A R B > S-H 93 0D 105 3,-0.3 3,-0.9 64,-0.3 64,-0.3 -0.793 73.4-142.2-111.6 149.1 21.9 22.0 60.6 30 44 A S T 3 S+ 0 0 52 62,-1.7 63,-0.1 -2,-0.3 -1,-0.1 0.566 99.5 59.9 -89.3 -5.1 25.5 23.0 60.2 31 45 A D T 3 S+ 0 0 114 61,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.154 104.9 52.3-102.3 18.1 26.0 20.7 57.3 32 46 A S < + 0 0 56 -3,-0.9 -3,-0.3 1,-0.1 -1,-0.1 -0.954 45.1 179.6-158.4 133.6 23.4 22.4 55.1 33 47 A S + 0 0 74 -2,-0.3 352,-0.3 356,-0.1 2,-0.2 0.559 55.4 103.9-107.1 -13.2 22.6 26.0 54.0 34 48 A K S S+ 0 0 64 1,-0.2 352,-0.2 350,-0.1 355,-0.1 -0.487 87.6 1.0 -85.8 142.6 19.6 25.4 51.8 35 49 A C S S- 0 0 8 350,-3.0 -1,-0.2 353,-0.5 351,-0.2 0.901 85.3-175.8 46.9 53.2 16.0 26.2 52.9 36 50 A P - 0 0 4 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.168 26.2-107.5 -69.8 172.4 17.0 27.6 56.3 37 51 A N E -E 26 0C 11 -11,-2.6 -11,-3.1 19,-0.1 2,-0.4 -0.284 31.5-123.4 -85.8 172.7 14.6 28.7 59.0 38 52 A I E -EF 25 55C 0 17,-2.5 17,-3.8 -13,-0.2 2,-0.4 -0.990 17.4-161.3-118.4 136.1 14.1 32.4 59.7 39 53 A I E +EF 24 54C 0 -15,-2.5 -15,-1.8 -2,-0.4 2,-0.3 -0.954 20.9 165.8-109.4 135.5 14.6 33.9 63.2 40 54 A G E +EF 23 53C 0 13,-1.9 13,-1.7 -2,-0.4 2,-0.3 -0.989 5.8 145.1-141.9 157.5 13.1 37.4 63.8 41 55 A Y E -E 22 0C 0 -19,-1.5 -19,-2.7 -2,-0.3 -20,-1.5 -0.954 32.0-124.0-173.3 169.7 12.3 39.6 66.8 42 56 A G - 0 0 0 -22,-0.3 -21,-0.1 -2,-0.3 360,-0.1 -0.605 40.6 -90.8-116.3-176.0 12.2 43.3 67.8 43 57 A L - 0 0 30 358,-0.3 36,-0.2 -2,-0.2 60,-0.2 0.588 57.8-144.5 -70.8 -10.8 13.8 45.3 70.6 44 58 A G - 0 0 5 5,-0.2 2,-0.3 35,-0.1 5,-0.2 -0.104 12.1-118.6 64.0-175.1 10.8 44.7 73.0 45 59 A T - 0 0 43 3,-2.6 3,-0.4 357,-0.0 34,-0.2 -0.866 31.2 -88.0-144.9-178.2 9.8 47.4 75.4 46 60 A Y S S+ 0 0 133 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.750 129.1 48.6 -68.4 -18.1 9.6 47.9 79.2 47 61 A D S S+ 0 0 161 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.666 116.7 36.5 -95.3 -18.9 6.1 46.4 78.9 48 62 A M - 0 0 61 -3,-0.4 -3,-2.6 2,-0.0 -1,-0.2 -0.986 68.5-138.3-141.3 129.3 6.8 43.4 76.7 49 63 A K - 0 0 95 -2,-0.4 2,-0.5 -5,-0.2 29,-0.2 -0.423 37.2-110.3 -70.1 157.1 9.7 41.0 76.5 50 64 A S E - G 0 77C 1 27,-2.7 27,-2.2 -7,-0.2 2,-0.5 -0.816 21.3-134.7 -98.7 125.1 10.7 40.1 73.0 51 65 A D E - G 0 76C 56 -2,-0.5 2,-1.1 25,-0.2 25,-0.2 -0.672 10.9-141.9 -77.8 126.2 9.9 36.6 71.7 52 66 A I E - G 0 75C 0 23,-3.0 22,-3.1 -2,-0.5 23,-0.6 -0.764 30.8-163.4 -87.5 97.7 12.9 35.2 69.8 53 67 A Q E -FG 40 73C 35 -13,-1.7 -13,-1.9 -2,-1.1 2,-0.6 -0.725 20.1-163.8 -96.8 125.6 10.9 33.4 67.1 54 68 A M E -FG 39 72C 0 18,-2.7 18,-2.6 -2,-0.5 2,-0.6 -0.955 15.0-154.0-101.5 122.0 12.3 30.8 64.8 55 69 A L E -FG 38 71C 1 -17,-3.8 -17,-2.5 -2,-0.6 2,-0.3 -0.906 17.0-128.2-102.7 117.6 9.9 30.4 61.9 56 70 A V E - G 0 70C 25 14,-2.5 14,-0.6 -2,-0.6 -19,-0.1 -0.508 18.3-122.2 -72.9 128.1 10.1 27.0 60.4 57 71 A N > - 0 0 2 -2,-0.3 3,-1.1 -22,-0.2 4,-0.4 -0.560 17.7-161.6 -72.0 112.7 10.7 26.9 56.7 58 72 A P T 3 S+ 0 0 9 0, 0.0 3,-0.4 0, 0.0 8,-0.3 0.768 88.5 57.2 -70.4 -18.6 7.8 24.9 55.1 59 73 A Y T 3 S+ 0 0 21 327,-0.3 5,-0.2 1,-0.2 4,-0.1 0.519 85.5 82.3 -87.3 -5.1 9.7 24.3 51.9 60 74 A A S < S+ 0 0 43 -3,-1.1 2,-0.8 -25,-0.1 -1,-0.2 0.866 77.2 73.5 -71.6 -37.1 12.6 22.6 53.7 61 75 A T S > S- 0 0 90 -4,-0.4 3,-0.8 -3,-0.4 -1,-0.1 -0.704 92.1-126.8 -84.8 112.8 10.9 19.3 53.9 62 76 A T T 3 S+ 0 0 122 -2,-0.8 -2,-0.1 1,-0.2 -1,-0.0 -0.183 95.0 34.4 -51.0 147.0 10.9 17.9 50.4 63 77 A N T 3 S+ 0 0 160 1,-0.2 -1,-0.2 -4,-0.1 2,-0.1 0.709 89.1 170.1 72.5 21.9 7.3 16.9 49.1 64 78 A N < - 0 0 40 -3,-0.8 486,-0.3 -5,-0.2 -1,-0.2 -0.327 30.0-178.1 -69.7 145.4 5.8 19.8 51.0 65 79 A Q + 0 0 149 -7,-0.1 2,-0.3 484,-0.1 -1,-0.1 0.435 58.1 82.5-112.9 -8.9 2.2 21.1 50.7 66 80 A S - 0 0 50 -8,-0.3 484,-0.1 1,-0.1 485,-0.0 -0.731 45.4-172.3-111.4 146.5 2.2 24.1 53.0 67 81 A S + 0 0 27 -2,-0.3 2,-0.4 484,-0.0 -1,-0.1 0.263 56.0 116.4-106.2 8.3 3.3 27.6 52.7 68 82 A S - 0 0 77 -10,-0.1 2,-0.9 -11,-0.1 -55,-0.1 -0.616 57.6-146.4 -84.3 127.3 2.8 28.4 56.4 69 83 A W - 0 0 10 -2,-0.4 -12,-0.2 -56,-0.4 -1,-0.1 -0.778 17.9-144.4 -85.9 104.7 5.9 29.3 58.4 70 84 A T E -G 56 0C 79 -2,-0.9 -14,-2.5 -14,-0.6 2,-0.2 -0.580 11.3-135.9 -74.3 120.2 5.3 27.9 62.0 71 85 A P E -G 55 0C 62 0, 0.0 -16,-0.2 0, 0.0 -18,-0.1 -0.546 20.9-174.1 -69.3 134.6 6.7 30.2 64.7 72 86 A V E -G 54 0C 18 -18,-2.6 -18,-2.7 -2,-0.2 2,-0.6 -0.978 21.3-136.0-129.1 114.6 8.7 28.4 67.5 73 87 A P E -G 53 0C 42 0, 0.0 55,-2.7 0, 0.0 -20,-0.2 -0.613 20.6-176.8 -78.6 117.2 9.8 30.6 70.4 74 88 A L E - 0 0 0 -22,-3.1 55,-1.1 -2,-0.6 2,-0.3 0.788 66.9 -20.0 -78.6 -28.7 13.4 29.9 71.4 75 89 A A E -G 52 0C 9 -23,-0.6 -23,-3.0 53,-0.2 2,-0.4 -0.955 51.3-129.7-166.7 167.1 13.4 32.4 74.3 76 90 A K E +G 51 0C 107 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.2 -0.969 41.4 178.5-133.0 110.8 11.7 35.4 75.7 77 91 A L E -G 50 0C 10 -27,-2.2 -27,-2.7 -2,-0.4 2,-0.6 -0.828 34.4-113.4-124.0 152.3 14.3 38.1 76.5 78 92 A D S S- 0 0 57 -2,-0.3 23,-3.2 1,-0.2 24,-0.3 -0.761 92.7 -22.5 -81.9 120.9 14.6 41.6 77.9 79 93 A F S S- 0 0 9 -2,-0.6 23,-1.9 -36,-0.2 -1,-0.2 0.853 77.6-171.2 47.1 59.9 15.8 44.0 75.2 80 94 A P + 0 0 0 0, 0.0 20,-0.3 0, 0.0 -1,-0.1 -0.408 10.8 170.2 -71.7 155.5 17.6 41.7 72.7 81 95 A V + 0 0 2 18,-1.8 2,-0.2 1,-0.4 60,-0.1 0.459 48.9 14.9-126.0 -84.3 19.7 43.2 69.9 82 96 A A + 0 0 0 58,-0.1 17,-2.4 18,-0.1 -1,-0.4 -0.600 56.7 177.7-106.9 159.3 22.0 41.2 67.6 83 97 A M E +I 98 0E 0 15,-0.2 2,-0.2 -2,-0.2 15,-0.2 -0.987 9.2 166.4-151.2 162.1 22.3 37.5 66.9 84 98 A H E -I 97 0E 28 13,-2.0 13,-2.6 -2,-0.3 2,-0.3 -0.784 23.8-126.7-152.3-160.3 24.2 34.9 64.9 85 99 A Y E +I 96 0E 61 11,-0.2 2,-0.3 -2,-0.2 60,-0.2 -0.988 24.4 160.6-152.5 163.0 24.8 31.2 64.9 86 100 A A E -I 95 0E 16 9,-1.8 9,-3.4 -2,-0.3 2,-1.6 -0.949 52.7 -92.9-170.6 162.1 27.4 28.5 65.0 87 101 A D > + 0 0 31 -2,-0.3 3,-0.6 7,-0.3 7,-0.1 -0.629 51.3 166.8 -85.8 82.2 27.8 24.8 65.9 88 102 A I T 3 S+ 0 0 6 -2,-1.6 66,-0.2 1,-0.2 -1,-0.2 0.924 77.0 41.3 -57.9 -51.9 28.9 25.4 69.5 89 103 A T T 3 S- 0 0 19 4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.399 104.2-131.6 -80.2 -1.3 28.4 21.9 70.8 90 104 A K < + 0 0 129 -3,-0.6 -2,-0.1 3,-0.1 4,-0.1 0.884 69.5 124.2 51.4 48.9 29.9 20.5 67.5 91 105 A N S S- 0 0 64 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.247 88.1 -93.5-123.1 9.8 27.0 18.0 67.0 92 106 A G S S+ 0 0 14 1,-0.2 -62,-1.7 -5,-0.1 -61,-0.5 0.426 96.3 100.8 96.9 -2.4 25.7 19.0 63.6 93 107 A F B S-H 29 0D 38 -64,-0.3 -2,-0.4 -63,-0.1 -4,-0.3 -0.966 73.2-120.6-116.8 131.0 23.0 21.5 64.8 94 108 A N - 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