==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-AUG-10 3OM4 . 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) . 67681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1178 65.7 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 . 561 31.3 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 . 21 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 1.3 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 . 163 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 207 11.6 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 8 2 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 . 14 8 8 10 7 15 4 10 10 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 12 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 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 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.0 4.2 -5.3 -14.3 2 35 A K + 0 0 112 2,-0.0 2,-0.2 254,-0.0 253,-0.1 0.634 360.0 103.9 -71.1 -16.9 7.8 -4.4 -13.1 3 36 A D + 0 0 34 253,-0.1 2,-0.3 251,-0.0 253,-0.2 -0.452 46.2 151.6 -70.4 138.2 6.3 -3.9 -9.7 4 37 A F B -a 256 0A 64 251,-2.2 253,-3.1 -2,-0.2 2,-0.3 -0.917 38.0-131.6-154.6 179.7 6.9 -6.6 -7.1 5 38 A N + 0 0 99 -2,-0.3 2,-0.4 251,-0.2 251,-0.1 -0.841 28.8 160.2-149.3 102.6 7.3 -7.3 -3.4 6 39 A N + 0 0 74 -2,-0.3 252,-0.1 1,-0.1 253,-0.1 -0.975 14.3 177.0-126.3 114.8 10.1 -9.4 -2.0 7 40 A S > - 0 0 53 -2,-0.4 3,-1.5 251,-0.1 -1,-0.1 0.663 34.1-141.2 -85.3 -18.3 11.1 -9.2 1.7 8 41 A Y T 3 - 0 0 78 1,-0.3 3,-0.1 298,-0.0 -2,-0.0 0.686 59.8 -74.6 60.0 21.6 13.8 -12.0 1.3 9 42 A G T 3 S+ 0 0 36 1,-0.3 2,-0.3 297,-0.0 -1,-0.3 0.693 112.1 101.0 67.5 21.7 12.7 -13.2 4.7 10 43 A I S < S- 0 0 5 -3,-1.5 -1,-0.3 354,-0.0 299,-0.2 -0.847 74.8 -97.4-132.8 166.0 14.5 -10.3 6.4 11 44 A S E -b 309 0B 9 297,-1.2 299,-1.4 -2,-0.3 2,-0.4 -0.389 34.5-152.8 -83.8 162.1 13.7 -6.9 7.9 12 45 A H E -b 310 0B 26 353,-0.3 2,-0.9 297,-0.2 299,-0.2 -0.998 22.9-132.6-142.0 140.3 14.0 -3.5 6.1 13 46 A I - 0 0 3 297,-3.0 301,-0.2 -2,-0.4 2,-0.2 -0.837 47.9-146.6 -83.4 107.5 14.6 0.1 6.9 14 47 A T > - 0 0 20 -2,-0.9 4,-2.1 1,-0.1 246,-0.3 -0.477 22.5-128.7 -91.8 152.3 11.8 1.5 4.8 15 48 A R H > S+ 0 0 2 244,-2.5 4,-2.5 1,-0.2 5,-0.2 0.865 110.3 58.2 -58.8 -37.4 11.4 4.7 2.7 16 49 A D H > S+ 0 0 32 244,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.888 108.4 44.2 -62.4 -41.6 8.1 5.3 4.5 17 50 A N H 4 S+ 0 0 35 243,-0.2 3,-0.4 1,-0.2 4,-0.4 0.895 113.9 50.6 -69.8 -39.0 9.7 5.3 7.9 18 51 A M H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.879 104.1 56.6 -66.3 -40.5 12.6 7.4 6.8 19 52 A V H 3< S+ 0 0 32 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.753 102.5 58.2 -65.2 -22.8 10.4 10.1 5.2 20 53 A K T 3X S+ 0 0 93 -4,-0.7 4,-0.5 -3,-0.4 3,-0.3 0.629 87.9 79.9 -79.4 -14.2 8.7 10.6 8.6 21 54 A I H X> S+ 0 0 0 -3,-1.4 4,-2.7 -4,-0.4 3,-1.5 0.906 80.8 59.8 -65.6 -45.8 11.9 11.4 10.3 22 55 A P H 34 S+ 0 0 32 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.859 110.8 42.2 -52.9 -37.7 12.4 15.1 9.3 23 56 A Q H 34 S+ 0 0 188 -4,-0.3 -2,-0.2 -3,-0.3 -3,-0.1 0.532 120.7 43.8 -86.1 -6.6 9.0 16.1 11.0 24 57 A Q H << S+ 0 0 45 -3,-1.5 -1,-0.2 -4,-0.5 -3,-0.1 0.739 97.8 71.8-100.4 -32.6 9.7 13.9 14.0 25 58 A Q < + 0 0 21 -4,-2.7 2,-2.6 1,-0.2 5,-0.3 0.675 68.9 87.4 -70.3 -25.8 13.4 14.7 14.8 26 59 A N S S+ 0 0 162 -4,-0.4 2,-0.3 4,-0.1 -1,-0.2 -0.341 71.6 99.5 -78.2 63.6 13.2 18.2 16.2 27 60 A S S >> S- 0 0 47 -2,-2.6 4,-2.0 1,-0.0 3,-1.8 -0.992 80.4-123.7-146.2 146.0 12.6 17.1 19.7 28 61 A D T 34 S+ 0 0 113 -2,-0.3 407,-0.2 1,-0.3 -2,-0.1 0.522 106.2 77.6 -70.5 -3.0 14.8 16.7 22.8 29 62 A Q T 34 S+ 0 0 65 405,-0.1 406,-1.9 1,-0.1 -1,-0.3 0.815 114.8 15.3 -66.3 -30.8 13.6 13.1 22.8 30 63 A F T <4 S+ 0 0 5 -3,-1.8 346,-2.2 -5,-0.3 -2,-0.2 0.626 97.2 110.0-119.6 -24.9 16.0 12.4 20.0 31 64 A K B < S-f 376 0C 85 -4,-2.0 346,-0.2 344,-0.2 3,-0.1 -0.379 73.7-115.7 -62.7 129.6 18.5 15.3 19.8 32 65 A V - 0 0 6 344,-2.2 346,-0.1 -2,-0.1 -1,-0.1 -0.491 48.9 -95.7 -58.1 129.2 22.0 14.6 20.9 33 66 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.153 37.7-106.0 -50.6 143.2 22.5 16.7 24.1 34 67 A A - 0 0 81 -3,-0.1 2,-0.3 1,-0.0 406,-0.1 -0.553 40.5-138.9 -65.6 134.1 24.2 20.1 23.6 35 68 A F - 0 0 22 -2,-0.2 2,-0.8 -3,-0.1 350,-0.1 -0.777 12.4-113.5-104.8 146.5 27.8 19.8 25.0 36 69 A D > - 0 0 98 -2,-0.3 3,-1.2 1,-0.2 4,-0.4 -0.671 24.8-163.1 -80.3 107.3 29.7 22.4 27.0 37 70 A E G > S+ 0 0 100 -2,-0.8 3,-1.2 1,-0.2 -1,-0.2 0.833 82.1 62.6 -59.0 -39.1 32.5 23.6 24.8 38 71 A S G 3 S+ 0 0 103 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.666 104.7 47.5 -64.4 -20.1 34.6 25.1 27.6 39 72 A T G < S+ 0 0 85 -3,-1.2 2,-0.3 2,-0.1 -1,-0.2 0.479 80.3 119.7-102.4 -5.3 35.1 21.8 29.4 40 73 A I < - 0 0 10 -3,-1.2 2,-0.3 -4,-0.4 381,-0.1 -0.462 41.7-173.7 -70.2 125.4 36.1 19.7 26.4 41 74 A K - 0 0 88 -2,-0.3 379,-0.2 379,-0.2 2,-0.1 -0.902 25.1-118.9-118.4 147.2 39.6 18.1 26.7 42 75 A N - 0 0 21 -2,-0.3 2,-0.9 377,-0.1 377,-0.1 -0.437 47.5 -94.0 -65.2 154.7 41.9 16.1 24.4 43 76 A I > - 0 0 7 375,-0.3 3,-1.5 15,-0.2 15,-0.2 -0.702 39.5-153.9 -71.7 108.2 42.7 12.6 25.7 44 77 A A T 3 S+ 0 0 49 -2,-0.9 -1,-0.2 1,-0.3 66,-0.1 0.829 90.6 48.9 -58.2 -37.5 46.0 13.6 27.4 45 78 A S T 3 S+ 0 0 33 67,-0.5 2,-2.6 1,-0.1 -1,-0.3 0.563 81.0 105.5 -80.5 -10.0 47.5 10.1 27.0 46 79 A A < + 0 0 3 -3,-1.5 12,-2.5 12,-0.1 2,-0.3 -0.423 49.7 128.8 -75.0 69.7 46.6 9.9 23.3 47 80 A K E +K 57 0D 96 -2,-2.6 2,-0.3 10,-0.2 10,-0.2 -0.934 23.1 145.4-122.3 148.9 50.2 10.5 22.1 48 81 A G E -K 56 0D 10 8,-2.2 8,-3.5 -2,-0.3 2,-0.4 -0.945 48.3 -69.6-164.8-179.6 52.1 8.4 19.6 49 82 A K E -K 55 0D 154 -2,-0.3 6,-0.2 6,-0.3 39,-0.1 -0.698 41.0-140.0 -89.0 134.5 54.7 8.5 16.8 50 83 A N > - 0 0 34 4,-2.9 3,-0.9 -2,-0.4 -1,-0.1 -0.217 40.4 -86.4 -76.8 178.3 53.9 10.1 13.5 51 84 A A T 3 S+ 0 0 42 1,-0.3 523,-0.2 2,-0.1 524,-0.1 0.762 131.6 51.9 -59.3 -28.3 55.0 8.7 10.1 52 85 A S T 3 S- 0 0 48 2,-0.1 -1,-0.3 522,-0.1 519,-0.1 0.737 121.9-106.9 -77.7 -27.0 58.3 10.6 10.5 53 86 A G S < S+ 0 0 45 -3,-0.9 2,-0.4 1,-0.4 -2,-0.1 0.490 75.3 131.7 109.4 8.1 58.9 9.1 13.9 54 87 A N - 0 0 95 1,-0.0 -4,-2.9 -5,-0.0 -1,-0.4 -0.752 62.9-111.2 -91.2 138.3 58.2 12.2 16.1 55 88 A T E +K 49 0D 99 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.3 -0.540 49.6 165.5 -70.5 126.4 55.9 11.9 19.1 56 89 A I E -K 48 0D 40 -8,-3.5 -8,-2.2 -2,-0.3 2,-0.5 -0.832 43.9 -91.4-134.1 168.1 52.6 13.8 18.5 57 90 A D E -K 47 0D 58 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.768 48.4-138.3 -81.4 128.2 49.1 14.2 19.8 58 91 A L - 0 0 5 -12,-2.5 2,-0.5 -2,-0.5 30,-0.2 -0.487 7.2-123.9 -84.7 154.1 46.8 11.7 18.0 59 92 A D E -L 87 0E 16 28,-2.7 28,-1.6 -2,-0.2 2,-0.5 -0.889 30.3-151.7 -87.9 129.2 43.3 12.3 16.7 60 93 A V E +L 86 0E 1 358,-2.1 26,-0.2 -2,-0.5 347,-0.2 -0.923 25.5 158.8-111.3 126.0 41.1 9.6 18.4 61 94 A W E + 0 0 41 24,-3.5 346,-0.1 -2,-0.5 -1,-0.1 0.276 46.4 24.6-115.2-127.2 38.0 8.4 16.5 62 95 A D E - 0 0 25 22,-0.1 23,-3.2 344,-0.1 2,-0.3 -0.147 68.2-179.2 -47.1 128.0 35.8 5.3 16.6 63 96 A S E -L 84 0E 11 326,-0.3 21,-0.3 21,-0.3 341,-0.1 -0.970 14.8-175.1-134.5 151.6 36.0 3.6 20.0 64 97 A W E -L 83 0E 2 19,-2.9 19,-2.9 -2,-0.3 2,-0.1 -0.997 22.8-123.5-143.1 139.2 34.5 0.5 21.7 65 98 A P E -L 82 0E 1 0, 0.0 78,-0.6 0, 0.0 2,-0.5 -0.454 32.8-103.5 -76.6 152.8 34.7 -0.8 25.2 66 99 A L E -p 143 0F 0 15,-3.0 8,-2.6 8,-0.1 2,-0.3 -0.680 55.0-162.6 -66.7 124.4 35.9 -4.3 26.1 67 100 A Q E -pQ 144 73F 5 76,-3.0 78,-2.4 -2,-0.5 6,-0.2 -0.790 22.7-119.0-116.8 154.8 32.6 -6.0 26.8 68 101 A N > - 0 0 57 4,-3.3 3,-2.6 -2,-0.3 78,-0.1 -0.449 51.2 -92.8 -74.5 164.2 31.2 -9.1 28.5 69 102 A A T 3 S+ 0 0 27 76,-0.4 160,-0.9 1,-0.3 -1,-0.1 0.816 128.3 53.9 -50.0 -36.3 29.4 -11.6 26.2 70 103 A D T 3 S- 0 0 96 158,-0.1 255,-0.4 254,-0.1 -1,-0.3 0.448 122.9-103.7 -82.1 -2.5 26.1 -9.9 27.0 71 104 A G S < S+ 0 0 3 -3,-2.6 -2,-0.1 1,-0.4 3,-0.1 0.236 77.3 132.3 101.6 -13.4 27.4 -6.4 26.1 72 105 A T S S- 0 0 14 1,-0.1 -4,-3.3 321,-0.1 -1,-0.4 -0.331 71.1 -86.3 -67.2 154.9 28.0 -5.0 29.6 73 106 A V B -Q 67 0F 13 321,-0.5 -6,-0.3 -6,-0.2 -1,-0.1 -0.490 47.2-131.5 -70.9 125.8 31.3 -3.3 30.1 74 107 A A - 0 0 0 -8,-2.6 2,-0.5 -2,-0.3 7,-0.3 -0.314 5.3-141.4 -73.3 154.6 34.0 -5.8 31.2 75 108 A T - 0 0 81 5,-0.1 2,-0.7 -2,-0.0 5,-0.2 -0.990 15.6-167.9-116.2 120.1 36.4 -5.3 34.2 76 109 A Y B > S-M 79 0E 24 3,-3.2 3,-1.7 -2,-0.5 28,-0.1 -0.912 72.4 -35.0-113.4 104.9 39.9 -6.6 33.4 77 110 A H T 3 S- 0 0 112 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.885 126.7 -43.6 48.7 45.5 42.0 -6.8 36.5 78 111 A G T 3 S+ 0 0 38 1,-0.2 26,-2.8 25,-0.1 2,-0.3 0.465 120.5 110.4 83.0 3.9 40.3 -3.7 38.0 79 112 A Y E < -MN 76 103E 2 -3,-1.7 -3,-3.2 24,-0.2 2,-0.4 -0.848 60.8-141.4-114.2 145.5 40.4 -1.8 34.7 80 113 A Q E - 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