==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-AUG-10 3OM5 . COMPND 2 MOLECULE: LEVANSUCRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS MEGATERIUM; . AUTHOR C.P.STRUBE,A.HOMANN,M.GAMER,D.JAHN,J.SEIBEL,D.W.HEINZ . 1792 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1170 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 559 31.2 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 . 20 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 22 1.2 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 . 160 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 203 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.6 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 7 3 7 1 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 8 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 . 16 9 7 12 8 12 5 13 7 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 . 4 0 0 11 9 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 34 A S 0 0 100 0, 0.0 1242,-2.2 0, 0.0 1243,-0.5 0.000 360.0 360.0 360.0-152.9 42.4 6.6 14.2 2 35 A K + 0 0 50 1241,-0.2 2,-0.2 1240,-0.2 253,-0.1 0.648 360.0 102.4 -75.6 -16.0 38.9 7.5 13.0 3 36 A D + 0 0 21 1241,-0.1 1240,-0.6 253,-0.1 2,-0.3 -0.475 47.4 153.0 -70.3 137.6 40.4 8.1 9.5 4 37 A F B -a 256 0A 6 251,-2.1 253,-2.8 1238,-0.2 2,-0.3 -0.896 38.2-131.4-150.4 178.9 39.8 5.3 6.9 5 38 A N + 0 0 72 -2,-0.3 2,-0.4 251,-0.2 251,-0.1 -0.863 29.1 160.8-144.0 104.7 39.5 4.6 3.2 6 39 A N + 0 0 21 -2,-0.3 252,-0.1 1,-0.1 -2,-0.0 -0.969 12.8 175.7-124.3 114.1 36.6 2.5 1.9 7 40 A S > - 0 0 54 -2,-0.4 3,-1.7 251,-0.1 -1,-0.1 0.649 33.9-142.1 -83.9 -17.8 35.7 2.8 -1.8 8 41 A Y T 3 - 0 0 36 1,-0.3 3,-0.1 298,-0.0 -2,-0.0 0.728 58.7 -74.9 56.7 27.0 33.0 0.1 -1.4 9 42 A G T 3 S+ 0 0 40 1,-0.2 2,-0.3 297,-0.0 -1,-0.3 0.671 112.6 100.2 61.9 20.6 34.1 -1.2 -4.9 10 43 A I S < S- 0 0 7 -3,-1.7 -1,-0.2 354,-0.0 299,-0.2 -0.839 75.2 -99.2-131.3 165.3 32.3 1.8 -6.5 11 44 A S E -b 309 0B 7 297,-1.3 299,-1.6 -2,-0.3 2,-0.4 -0.429 34.5-152.0 -82.5 160.5 33.1 5.2 -7.9 12 45 A H E -b 310 0B 25 353,-0.3 2,-1.0 297,-0.2 299,-0.2 -0.996 23.8-129.9-139.3 141.5 32.7 8.5 -6.1 13 46 A I - 0 0 2 297,-3.2 301,-0.2 -2,-0.4 2,-0.2 -0.783 47.5-149.9 -78.0 102.3 32.1 12.2 -6.8 14 47 A T > - 0 0 17 -2,-1.0 4,-1.9 1,-0.1 3,-0.3 -0.477 22.1-128.2 -88.0 151.4 35.0 13.5 -4.7 15 48 A R H > S+ 0 0 0 244,-2.3 4,-2.8 1,-0.2 5,-0.2 0.866 109.6 59.8 -58.1 -37.7 35.3 16.7 -2.8 16 49 A D H > S+ 0 0 28 244,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.870 106.9 44.6 -61.1 -41.8 38.7 17.4 -4.5 17 50 A N H 4 S+ 0 0 33 -3,-0.3 3,-0.3 243,-0.2 4,-0.3 0.878 114.8 50.4 -68.9 -36.1 37.1 17.3 -8.0 18 51 A M H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.885 102.5 57.7 -70.9 -41.1 34.2 19.5 -6.7 19 52 A V H 3< S+ 0 0 34 -4,-2.8 4,-0.3 1,-0.3 -1,-0.2 0.746 102.9 57.6 -60.8 -23.6 36.3 22.2 -5.1 20 53 A K T 3X S+ 0 0 100 -4,-0.7 4,-0.9 -3,-0.3 -1,-0.3 0.582 86.3 82.0 -81.9 -12.7 38.0 22.8 -8.5 21 54 A I H X> S+ 0 0 1 -3,-1.6 4,-2.8 -4,-0.3 3,-0.8 0.896 80.9 58.1 -66.5 -45.1 34.8 23.5 -10.3 22 55 A P H 3> S+ 0 0 33 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.866 110.1 44.7 -55.5 -38.9 34.3 27.3 -9.4 23 56 A Q H 34 S+ 0 0 187 -4,-0.3 -2,-0.2 -3,-0.2 -3,-0.1 0.719 120.6 41.9 -76.0 -20.2 37.7 28.2 -11.0 24 57 A Q H << S+ 0 0 46 -4,-0.9 -1,-0.2 -3,-0.8 -3,-0.1 0.779 99.5 71.2 -92.3 -32.3 36.9 26.0 -14.0 25 58 A Q H < + 0 0 21 -4,-2.8 2,-2.5 1,-0.2 5,-0.2 0.716 68.9 87.4 -69.1 -30.5 33.3 26.8 -14.7 26 59 A N S < S+ 0 0 163 -4,-0.6 2,-0.3 4,-0.1 -1,-0.2 -0.415 73.0 99.6 -73.0 72.9 33.4 30.4 -16.0 27 60 A S S >> S- 0 0 46 -2,-2.5 4,-2.0 1,-0.0 3,-1.9 -0.973 78.8-126.0-161.4 139.0 34.0 29.3 -19.6 28 61 A D T 34 S+ 0 0 110 -2,-0.3 407,-0.2 1,-0.3 -2,-0.1 0.646 106.2 73.8 -67.1 -16.0 31.8 28.9 -22.7 29 62 A Q T 34 S+ 0 0 68 1,-0.2 406,-2.2 405,-0.1 -1,-0.3 0.807 117.0 18.8 -57.9 -30.3 33.0 25.3 -22.9 30 63 A F T <4 S+ 0 0 6 -3,-1.9 346,-2.3 -5,-0.2 -2,-0.2 0.606 98.5 105.5-118.2 -25.0 30.7 24.7 -19.9 31 64 A K B < S-f 376 0C 78 -4,-2.0 346,-0.2 344,-0.2 3,-0.1 -0.448 75.0-116.3 -68.8 130.7 28.2 27.5 -19.7 32 65 A V - 0 0 9 344,-2.4 346,-0.1 -2,-0.2 -1,-0.1 -0.506 49.5 -99.4 -57.4 127.3 24.6 26.7 -20.8 33 66 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.204 35.3-103.8 -56.6 143.5 24.2 29.1 -23.9 34 67 A A - 0 0 85 -3,-0.1 2,-0.3 1,-0.1 -3,-0.0 -0.487 41.1-139.1 -62.6 131.1 22.4 32.4 -23.4 35 68 A F - 0 0 19 -2,-0.2 2,-0.6 350,-0.1 350,-0.1 -0.777 13.8-111.8-102.6 144.3 18.9 32.0 -24.9 36 69 A D >> - 0 0 99 -2,-0.3 3,-0.8 1,-0.2 4,-0.5 -0.614 24.5-159.0 -76.2 113.6 17.0 34.6 -26.9 37 70 A E G >4 S+ 0 0 110 -2,-0.6 3,-0.7 1,-0.2 -1,-0.2 0.802 85.1 58.7 -63.8 -36.0 14.1 35.8 -24.8 38 71 A S G 34 S+ 0 0 106 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.720 104.4 52.0 -69.2 -22.9 11.9 37.2 -27.6 39 72 A T G <4 S+ 0 0 75 -3,-0.8 -1,-0.2 2,-0.0 2,-0.2 0.619 82.9 111.1 -88.8 -16.2 11.8 33.8 -29.4 40 73 A I << + 0 0 10 -3,-0.7 2,-0.3 -4,-0.5 381,-0.1 -0.411 43.5 177.5 -70.3 129.8 10.6 31.8 -26.3 41 74 A K - 0 0 80 379,-0.2 379,-0.2 -2,-0.2 2,-0.1 -0.909 31.7-109.5-127.5 155.2 7.0 30.4 -26.4 42 75 A N - 0 0 18 -2,-0.3 2,-0.5 377,-0.1 377,-0.1 -0.454 51.5 -92.5 -66.6 153.7 4.8 28.2 -24.3 43 76 A I > - 0 0 5 375,-0.3 3,-0.6 15,-0.2 15,-0.2 -0.666 39.7-147.1 -67.5 121.6 4.1 24.8 -25.7 44 77 A A T 3 S+ 0 0 47 -2,-0.5 -1,-0.2 65,-0.2 66,-0.1 0.895 93.7 45.0 -65.5 -45.8 0.8 25.5 -27.6 45 78 A S T 3 S+ 0 0 32 67,-0.7 2,-2.8 1,-0.1 -1,-0.2 0.589 82.2 111.8 -72.2 -12.1 -0.9 22.1 -27.1 46 79 A A < + 0 0 4 -3,-0.6 12,-2.2 66,-0.1 2,-0.4 -0.350 46.5 125.1 -69.4 71.7 0.1 22.2 -23.4 47 80 A K E +K 57 0D 103 -2,-2.8 2,-0.2 10,-0.2 10,-0.2 -0.984 24.0 139.1-133.3 140.9 -3.4 22.6 -22.1 48 81 A G E -K 56 0D 6 8,-2.1 8,-2.7 -2,-0.4 2,-0.5 -0.792 49.7 -64.2-157.0-161.2 -5.3 20.4 -19.6 49 82 A K E -K 55 0D 142 6,-0.2 6,-0.2 -2,-0.2 39,-0.1 -0.905 38.5-144.0-111.0 127.7 -7.7 20.5 -16.7 50 83 A N > - 0 0 25 4,-2.8 3,-1.4 -2,-0.5 8,-0.0 -0.126 40.4 -91.0 -71.9 178.2 -7.0 22.0 -13.3 51 84 A A T 3 S+ 0 0 26 1,-0.3 523,-0.1 2,-0.1 522,-0.1 0.832 128.7 59.8 -62.0 -32.2 -8.2 20.5 -10.0 52 85 A S T 3 S- 0 0 40 522,-0.1 -1,-0.3 2,-0.1 519,-0.1 0.619 118.8-113.6 -69.9 -15.4 -11.3 22.8 -10.3 53 86 A G S < S+ 0 0 48 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.302 74.7 127.5 100.1 -7.3 -12.1 21.0 -13.6 54 87 A N - 0 0 106 -5,-0.1 -4,-2.8 1,-0.1 2,-0.4 -0.532 64.8-109.5 -82.9 148.3 -11.5 24.0 -15.9 55 88 A T E +K 49 0D 92 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.636 50.1 158.7 -81.6 130.1 -9.2 23.9 -18.9 56 89 A I E -K 48 0D 47 -8,-2.7 -8,-2.1 -2,-0.4 2,-0.5 -0.854 47.6 -83.0-139.8 171.2 -6.0 25.9 -18.5 57 90 A D E -K 47 0D 57 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.740 50.9-138.5 -79.3 127.5 -2.5 26.4 -19.8 58 91 A L - 0 0 5 -12,-2.2 2,-0.4 -2,-0.5 30,-0.2 -0.490 6.8-123.3 -85.7 153.8 -0.2 23.8 -18.0 59 92 A D E -L 87 0E 26 28,-2.5 28,-1.7 -2,-0.2 2,-0.5 -0.841 29.0-151.1 -87.7 134.4 3.3 24.3 -16.7 60 93 A V E +L 86 0E 0 358,-2.1 26,-0.2 -2,-0.4 347,-0.2 -0.950 25.4 158.5-116.5 124.7 5.6 21.8 -18.3 61 94 A W E + 0 0 47 24,-3.4 346,-0.1 -2,-0.5 -1,-0.1 0.273 47.8 20.5-113.1-128.6 8.7 20.5 -16.5 62 95 A D E - 0 0 25 22,-0.1 23,-3.2 344,-0.1 2,-0.3 -0.180 67.6-178.3 -50.0 128.6 10.9 17.4 -16.7 63 96 A S E -L 84 0E 11 326,-0.3 21,-0.3 21,-0.3 341,-0.1 -0.969 13.3-171.5-133.3 150.0 10.6 15.8 -20.1 64 97 A W E -L 83 0E 2 19,-3.0 19,-2.8 -2,-0.3 2,-0.2 -0.999 20.9-123.9-139.9 142.6 12.1 12.7 -21.7 65 98 A P E -L 82 0E 2 0, 0.0 78,-0.7 0, 0.0 2,-0.6 -0.487 30.9-105.6 -81.2 151.7 12.1 11.3 -25.2 66 99 A L E -p 143 0F 0 15,-2.9 8,-2.7 8,-0.2 2,-0.3 -0.692 54.2-162.5 -69.2 120.7 10.9 7.9 -26.2 67 100 A Q E -pQ 144 73F 7 76,-2.5 78,-2.4 -2,-0.6 6,-0.3 -0.717 22.1-119.4-112.0 156.8 14.2 6.2 -26.9 68 101 A N > - 0 0 59 4,-3.7 3,-2.6 -2,-0.3 78,-0.1 -0.475 51.6 -90.9 -76.1 165.7 15.6 3.2 -28.7 69 102 A A T 3 S+ 0 0 32 76,-0.3 160,-0.9 1,-0.3 -1,-0.1 0.828 128.8 50.9 -49.7 -40.0 17.4 0.7 -26.5 70 103 A D T 3 S- 0 0 100 158,-0.1 255,-0.4 254,-0.1 -1,-0.3 0.403 125.0-100.1 -80.9 0.4 20.8 2.4 -27.1 71 104 A G S < S+ 0 0 3 -3,-2.6 -2,-0.1 1,-0.3 3,-0.1 0.191 78.5 134.4 103.0 -16.8 19.4 5.8 -26.2 72 105 A T - 0 0 16 1,-0.1 -4,-3.7 -5,-0.1 -1,-0.3 -0.269 69.4 -89.2 -61.6 152.8 18.7 7.2 -29.7 73 106 A V B -Q 67 0F 14 321,-0.5 -6,-0.3 -6,-0.3 -1,-0.1 -0.512 46.4-133.4 -70.5 127.1 15.4 8.9 -30.2 74 107 A A - 0 0 0 -8,-2.7 2,-0.5 -2,-0.3 7,-0.3 -0.369 2.9-139.1 -76.4 154.2 12.7 6.4 -31.4 75 108 A T - 0 0 78 5,-0.1 2,-0.7 -2,-0.1 5,-0.2 -0.989 15.6-164.5-109.2 125.5 10.3 6.9 -34.2 76 109 A Y B > S-M 79 0E 25 3,-3.5 3,-1.7 -2,-0.5 -2,-0.0 -0.903 72.8 -37.3-114.1 101.9 6.8 5.6 -33.4 77 110 A H T 3 S- 0 0 111 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.892 127.2 -40.9 48.8 45.6 4.7 5.3 -36.6 78 111 A G T 3 S+ 0 0 36 1,-0.2 26,-2.1 25,-0.1 2,-0.4 0.346 121.4 104.3 90.2 -4.5 6.3 8.4 -37.9 79 112 A Y E < -MN 76 103E 3 -3,-1.7 -3,-3.5 24,-0.2 2,-0.4 -0.881 61.4-141.6-115.0 140.5 6.3 10.4 -34.7 80 113 A Q E - 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