==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-NOV-11 4A7Z . 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 . 881 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 58.5 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 . 329 37.3 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 . 71 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 7.0 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 7 5 9 12 7 6 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 1 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 14 A E 0 0 149 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.5 -29.3 -37.7 28.2 2 15 A Q - 0 0 67 437,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.515 360.0 -88.5 -84.0 139.1 -26.1 -39.7 28.1 3 16 A P - 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.109 46.7-118.4 -46.8 131.5 -25.0 -42.1 31.0 4 17 A A - 0 0 15 -3,-0.1 2,-0.2 330,-0.0 437,-0.2 -0.579 23.0-143.9 -77.8 133.3 -23.0 -40.3 33.7 5 18 A A - 0 0 43 435,-2.3 437,-0.3 -2,-0.3 431,-0.0 -0.579 26.7 -98.6 -89.9 157.7 -19.4 -41.4 34.3 6 19 A L - 0 0 58 -2,-0.2 326,-0.1 1,-0.1 -1,-0.1 -0.433 37.6-121.3 -69.5 146.6 -17.8 -41.5 37.7 7 20 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 414,-0.2 -0.291 29.8-100.2 -75.1 175.6 -15.6 -38.6 38.7 8 21 A L E -A 420 0A 29 412,-2.4 412,-2.2 410,-0.0 2,-0.4 -0.542 30.7-139.4 -85.4 160.2 -12.0 -39.0 39.7 9 22 A F E -A 419 0A 34 410,-0.2 410,-0.2 -2,-0.2 386,-0.0 -0.989 7.2-159.5-126.4 127.0 -10.8 -39.0 43.3 10 23 A Q E -A 418 0A 24 408,-2.1 408,-3.0 -2,-0.4 2,-0.2 -0.927 24.0-140.8-100.2 114.8 -7.7 -37.3 44.7 11 24 A P E -A 417 0A 71 0, 0.0 2,-0.4 0, 0.0 406,-0.2 -0.524 19.3-175.1 -75.4 145.5 -6.9 -39.0 48.0 12 25 A Q E -A 416 0A 26 404,-2.2 404,-2.4 -2,-0.2 2,-1.0 -0.987 26.9-130.3-137.9 133.3 -5.6 -36.9 50.9 13 26 A L E -A 415 0A 115 -2,-0.4 402,-0.2 402,-0.2 3,-0.2 -0.778 24.7-173.7 -86.9 102.3 -4.5 -38.4 54.2 14 27 A V E - 0 0 8 400,-1.2 56,-0.4 -2,-1.0 2,-0.2 0.790 70.0 -11.1 -68.6 -36.8 -6.5 -36.3 56.7 15 28 A Q E S-A 414 0A 31 399,-1.6 399,-2.8 54,-0.1 -1,-0.3 -0.767 75.2-166.2-169.5 117.4 -4.8 -37.8 59.9 16 29 A G + 0 0 37 397,-0.2 397,-0.1 -2,-0.2 395,-0.0 -0.464 57.7 35.6-110.2 179.2 -2.6 -40.8 60.1 17 30 A G S S- 0 0 66 394,-0.4 396,-0.2 1,-0.2 -1,-0.2 0.808 73.8-177.6 46.3 41.2 -1.1 -43.3 62.6 18 31 A R - 0 0 14 394,-2.8 -1,-0.2 -3,-0.2 393,-0.1 -0.350 34.1-133.2 -65.2 145.9 -4.2 -43.1 64.8 19 32 A P S S- 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.883 85.7 -19.3 -59.3 -39.5 -4.3 -45.1 68.1 20 33 A D - 0 0 16 391,-0.1 2,-0.3 392,-0.1 383,-0.2 -0.798 66.5-146.1-152.0-175.4 -7.8 -46.5 67.2 21 34 A G B +D 402 0B 0 381,-1.9 381,-2.8 -2,-0.2 22,-0.3 -0.887 34.7 126.5-171.8 145.0 -10.7 -45.7 64.9 22 35 A Y + 0 0 10 20,-1.7 2,-0.4 1,-0.4 21,-0.2 0.433 61.5 47.4-159.3 -51.2 -14.5 -45.9 64.6 23 36 A W E +F 42 0C 1 19,-2.6 19,-1.7 375,-0.1 -1,-0.4 -0.912 43.7 173.1-120.4 141.3 -16.5 -42.7 63.7 24 37 A V E -F 41 0C 1 -2,-0.4 2,-0.3 17,-0.2 17,-0.2 -0.992 9.7-179.8-140.3 144.8 -16.2 -40.0 61.1 25 38 A E E -F 40 0C 22 15,-2.0 15,-2.3 -2,-0.3 2,-0.7 -0.989 33.8-123.3-149.6 136.5 -18.7 -37.2 60.3 26 39 A A E -F 39 0C 10 -2,-0.3 13,-0.2 13,-0.2 358,-0.1 -0.718 38.7-168.3 -71.9 113.5 -19.0 -34.3 58.0 27 40 A F E -F 38 0C 0 11,-2.7 11,-2.2 -2,-0.7 2,-0.4 -0.832 12.1-159.0-117.5 96.2 -19.5 -31.4 60.5 28 41 A P - 0 0 14 0, 0.0 67,-0.2 0, 0.0 8,-0.1 -0.583 12.9-146.2 -68.7 125.6 -20.6 -28.0 59.2 29 42 A F S S+ 0 0 37 -2,-0.4 66,-2.9 65,-0.1 2,-0.3 0.909 85.9 40.8 -58.4 -43.0 -19.6 -25.3 61.7 30 43 A R B S-I 94 0D 98 64,-0.2 64,-0.3 3,-0.2 63,-0.0 -0.819 71.3-143.6-106.6 148.5 -22.7 -23.3 60.9 31 44 A S S S+ 0 0 59 62,-1.7 63,-0.1 -2,-0.3 -1,-0.1 0.579 100.8 60.3 -81.0 -11.7 -26.2 -24.6 60.3 32 45 A D S S+ 0 0 108 61,-0.6 2,-0.3 1,-0.0 -1,-0.2 0.868 107.0 46.3 -79.5 -35.4 -26.8 -22.0 57.6 33 46 A S - 0 0 39 1,-0.1 -3,-0.2 2,-0.1 -1,-0.0 -0.744 47.8-175.8-108.9 149.6 -23.9 -23.2 55.3 34 47 A S + 0 0 94 -2,-0.3 352,-0.4 -5,-0.1 2,-0.1 0.177 47.3 127.5-122.1 14.1 -22.8 -26.6 54.1 35 48 A K S S- 0 0 133 1,-0.2 352,-0.1 350,-0.1 355,-0.1 -0.419 82.6 -19.1 -74.5 146.9 -19.7 -25.4 52.3 36 49 A C S S- 0 0 10 350,-0.4 -1,-0.2 353,-0.4 22,-0.2 0.712 86.6-167.7 22.7 59.0 -16.3 -26.9 53.0 37 50 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.139 16.9-110.2 -63.0 166.0 -17.4 -28.4 56.4 38 51 A N E -F 27 0C 13 -11,-2.2 -11,-2.7 19,-0.1 2,-0.4 -0.258 27.1-116.1 -87.2-179.5 -15.0 -29.8 58.9 39 52 A I E -FG 26 56C 0 17,-2.3 17,-3.5 -13,-0.2 2,-0.5 -0.979 15.9-159.6-122.7 135.0 -14.5 -33.5 59.9 40 53 A I E +FG 25 55C 0 -15,-2.3 -15,-2.0 -2,-0.4 2,-0.3 -0.971 22.8 166.7-113.5 130.0 -15.1 -35.2 63.3 41 54 A G E +FG 24 54C 0 13,-1.8 13,-1.7 -2,-0.5 2,-0.3 -0.978 3.2 137.7-140.3 148.0 -13.4 -38.5 64.0 42 55 A Y E -F 23 0C 0 -19,-1.7 -19,-2.6 -2,-0.3 -20,-1.7 -0.984 31.9-129.9-169.9 175.5 -12.6 -40.8 66.9 43 56 A G - 0 0 0 -2,-0.3 -21,-0.1 -22,-0.3 360,-0.1 -0.724 41.0 -97.5-125.2-177.2 -12.4 -44.3 68.3 44 57 A L - 0 0 12 -2,-0.2 36,-0.6 1,-0.2 7,-0.3 0.622 53.2-148.9 -77.5 -12.0 -13.8 -45.8 71.5 45 58 A G - 0 0 6 5,-0.2 -1,-0.2 35,-0.1 2,-0.2 -0.391 16.5-103.3 66.3-157.3 -10.5 -45.4 73.4 46 59 A T - 0 0 61 3,-2.1 34,-0.3 -2,-0.1 5,-0.1 -0.766 36.6 -81.5-146.0-172.7 -9.6 -48.0 76.1 47 60 A Y S S+ 0 0 131 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.677 130.2 41.3 -75.1 -15.5 -9.6 -48.2 79.9 48 61 A D S S+ 0 0 151 1,-0.2 2,-0.7 2,-0.0 -1,-0.2 0.813 115.0 47.5 -91.9 -43.3 -6.2 -46.4 79.9 49 62 A M S S- 0 0 123 3,-0.0 -3,-2.1 0, 0.0 -1,-0.2 -0.920 71.4-144.9-116.4 105.9 -6.8 -43.7 77.3 50 63 A K - 0 0 112 -2,-0.7 2,-0.4 -5,-0.2 29,-0.2 -0.383 38.0-107.9 -51.9 143.7 -9.9 -41.6 77.2 51 64 A S E - H 0 78C 5 27,-1.8 27,-1.7 -7,-0.3 2,-0.6 -0.669 22.2-131.7 -91.7 131.4 -10.8 -40.9 73.5 52 65 A D E - H 0 77C 57 -2,-0.4 2,-1.2 25,-0.2 25,-0.2 -0.703 9.4-145.7 -85.1 120.6 -10.2 -37.5 72.0 53 66 A I E - H 0 76C 0 23,-2.7 22,-2.5 -2,-0.6 23,-0.8 -0.719 27.9-160.1 -83.3 100.8 -13.2 -36.3 70.0 54 67 A Q E -GH 41 74C 31 -13,-1.7 -13,-1.8 -2,-1.2 2,-0.8 -0.722 20.4-161.9 -97.6 126.3 -11.3 -34.4 67.3 55 68 A M E -GH 40 73C 0 18,-2.6 18,-0.7 -2,-0.5 2,-0.5 -0.912 20.2-154.3-100.4 102.9 -12.8 -31.7 65.1 56 69 A L E -GH 39 72C 0 -17,-3.5 -17,-2.3 -2,-0.8 2,-0.2 -0.719 14.1-126.1 -87.5 120.6 -10.4 -31.6 62.2 57 70 A V - 0 0 32 14,-2.7 14,-0.5 -2,-0.5 -19,-0.1 -0.465 17.3-123.5 -74.8 133.8 -10.4 -28.1 60.5 58 71 A N > - 0 0 1 -2,-0.2 3,-2.1 -22,-0.2 4,-0.5 -0.674 15.0-157.1 -86.3 104.7 -10.9 -28.1 56.8 59 72 A P G > S+ 0 0 5 0, 0.0 3,-1.1 0, 0.0 8,-0.2 0.830 89.4 60.1 -39.9 -48.5 -8.0 -26.3 55.0 60 73 A Y G 3 S+ 0 0 23 327,-0.3 4,-0.1 1,-0.3 5,-0.1 0.304 86.9 75.7 -81.2 10.5 -10.0 -25.4 52.0 61 74 A A G < S+ 0 0 51 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.887 79.8 77.3 -79.6 -44.0 -12.4 -23.3 54.0 62 75 A T S < S- 0 0 101 -3,-1.1 3,-0.4 -4,-0.5 -1,-0.0 -0.519 97.0-113.7 -71.9 123.1 -9.9 -20.5 54.4 63 76 A T S S+ 0 0 137 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.258 96.1 18.8 -74.2 146.5 -10.0 -18.6 51.1 64 77 A N S S- 0 0 162 1,-0.2 -1,-0.2 -4,-0.1 2,-0.1 0.899 96.2-158.5 59.8 44.6 -6.9 -18.7 48.8 65 78 A N + 0 0 32 -3,-0.4 486,-0.6 1,-0.1 -1,-0.2 -0.294 32.5 173.9 -65.2 132.5 -5.8 -21.7 50.8 66 79 A Q + 0 0 160 -3,-0.1 2,-0.2 -7,-0.1 -1,-0.1 0.577 56.1 87.9-102.1 -22.8 -2.1 -22.8 50.9 67 80 A S - 0 0 53 -8,-0.2 484,-0.1 1,-0.1 -2,-0.0 -0.588 44.3-176.6 -89.8 144.6 -2.4 -25.5 53.5 68 81 A S + 0 0 27 -2,-0.2 2,-0.3 -9,-0.1 -1,-0.1 0.264 57.0 112.0-108.8 6.1 -3.1 -29.2 53.0 69 82 A S - 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