==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-MAY-03 1PIE . COMPND 2 MOLECULE: GALACTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR J.B.THODEN,H.M.HOLDEN . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 27 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 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 0 0 1 0 1 0 0 0 1 2 1 0 2 1 0 0 1 0 0 0 0 0 1 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 . 3 1 0 3 1 0 2 0 0 1 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 2 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 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 9 A T > 0 0 160 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -83.3 84.7 26.8 59.5 2 10 A V H > + 0 0 74 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.853 360.0 49.8 -35.4 -49.6 87.7 26.6 61.7 3 11 A L H > S+ 0 0 63 2,-0.3 4,-5.9 1,-0.2 5,-0.5 0.981 105.0 54.9 -58.4 -52.9 86.7 30.0 63.0 4 12 A S H > S+ 0 0 79 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.929 111.5 47.6 -41.8 -48.7 83.2 28.9 63.5 5 13 A A H X S+ 0 0 63 -4,-3.0 4,-1.6 2,-0.2 -2,-0.3 0.990 118.1 38.6 -55.5 -61.7 84.9 26.2 65.6 6 14 A L H X S+ 0 0 4 -4,-3.5 4,-0.7 1,-0.2 3,-0.2 0.897 115.3 55.6 -49.7 -52.0 87.1 28.7 67.4 7 15 A T H >X S+ 0 0 33 -4,-5.9 4,-1.2 1,-0.3 3,-0.9 0.887 111.0 41.7 -49.4 -51.0 84.3 31.2 67.5 8 16 A E H 3X S+ 0 0 69 -4,-3.1 4,-1.1 -5,-0.5 -1,-0.3 0.706 109.8 60.7 -74.7 -18.1 82.0 28.7 69.2 9 17 A K H 3X S+ 0 0 27 -4,-1.6 4,-1.4 -6,-0.3 -1,-0.2 0.593 99.9 59.0 -82.5 -13.2 84.8 27.6 71.4 10 18 A F H > + 0 0 0 -3,-0.4 3,-3.2 6,-0.1 5,-2.6 0.646 55.8 78.3-103.1 -31.5 123.7 33.4 59.6 37 45 A D T 3 5S+ 0 0 23 1,-0.3 3,-0.4 -4,-0.3 136,-0.3 0.785 102.3 38.0 -52.6 -36.4 121.2 35.7 61.2 38 46 A Y T 3 5S+ 0 0 34 1,-0.2 -1,-0.3 134,-0.1 -2,-0.1 0.193 112.6 60.4-102.2 14.8 123.1 36.0 64.3 39 47 A N T < 5S- 0 0 7 -3,-3.2 210,-1.0 208,-0.1 -2,-0.2 0.035 120.4-100.4-125.6 26.7 126.3 36.0 62.3 40 48 A G T 5S+ 0 0 14 -3,-0.4 153,-0.4 1,-0.2 -3,-0.2 0.644 80.8 131.4 65.1 20.6 125.5 39.2 60.3 41 49 A G < - 0 0 1 -5,-2.6 151,-2.4 151,-0.2 2,-0.3 -0.194 58.4 -91.1 -96.8-177.3 124.5 37.3 57.2 42 50 A Y E -F 191 0B 66 149,-0.2 2,-0.3 237,-0.2 149,-0.2 -0.641 34.3-164.2 -92.5 154.0 121.7 37.1 54.7 43 51 A V E -F 190 0B 1 147,-2.1 147,-2.6 -2,-0.3 -10,-0.2 -0.961 14.5-158.5-139.2 156.5 118.7 34.9 54.9 44 52 A F E +A 32 0A 0 -12,-2.7 -13,-3.0 -2,-0.3 -12,-0.8 -0.650 34.9 150.5-138.4 70.7 116.0 33.7 52.4 45 53 A P E -A 30 0A 0 0, 0.0 143,-2.3 0, 0.0 2,-0.3 -0.484 26.1-157.4 -98.9 173.2 112.9 32.7 54.3 46 54 A A E -A 29 0A 0 -17,-3.8 -17,-3.4 141,-0.2 2,-0.3 -0.998 22.0-116.7-153.0 146.1 109.2 32.6 53.6 47 55 A S E -A 28 0A 0 139,-0.5 335,-1.3 335,-0.3 -19,-0.3 -0.663 31.3-153.5 -81.1 136.2 106.1 32.5 55.6 48 56 A I E -I 381 0C 0 -21,-1.4 -21,-0.4 -2,-0.3 333,-0.2 -0.515 25.5-110.4-101.1 177.1 103.9 29.3 55.2 49 57 A T E S+ 0 0 54 331,-1.1 2,-0.3 -2,-0.2 332,-0.1 0.814 91.8 91.8 -79.2 -29.5 100.1 29.0 55.7 50 58 A I E + 0 0 38 330,-0.2 -23,-1.6 71,-0.1 -2,-0.3 -0.512 62.8 118.8 -63.6 124.1 100.3 26.9 58.8 51 59 A G E -A 26 0A 0 -2,-0.3 70,-3.4 -25,-0.3 71,-0.6 -0.716 58.8 -60.3-158.8-148.5 100.2 29.3 61.7 52 60 A T E -AC 25 120A 11 -27,-5.4 -27,-3.4 68,-0.3 2,-0.4 -0.952 36.5-159.4-124.7 133.3 98.6 30.5 64.7 53 61 A T E -AC 24 119A 15 66,-4.5 66,-1.6 -2,-0.4 2,-0.5 -0.868 5.6-163.1-118.3 142.7 95.2 31.9 65.1 54 62 A G E -AC 23 118A 0 -31,-2.9 -31,-2.5 -2,-0.4 2,-0.5 -0.922 17.1-171.0-138.3 137.3 93.7 34.1 67.6 55 63 A L E +AC 22 117A 0 62,-2.8 62,-4.2 -2,-0.5 2,-0.3 -0.947 34.7 150.4-108.8 128.3 90.3 35.2 68.8 56 64 A A E -AC 21 116A 0 -35,-2.2 -35,-1.8 -2,-0.5 2,-0.3 -0.988 22.6-174.3-161.7 153.8 90.5 38.0 71.4 57 65 A R E - C 0 115A 35 58,-1.3 58,-4.3 -2,-0.3 -37,-0.1 -0.953 32.6 -89.2-147.3 164.2 88.9 41.1 72.9 58 66 A L E - C 0 114A 55 -2,-0.3 56,-0.3 56,-0.3 2,-0.2 -0.319 38.9-132.1 -73.5 151.6 89.4 43.9 75.3 59 67 A R - 0 0 37 54,-2.4 -1,-0.1 2,-0.2 5,-0.0 -0.615 13.7-138.2-105.0 167.8 88.5 43.7 78.9 60 68 A E S S+ 0 0 192 -2,-0.2 -1,-0.1 52,-0.1 2,-0.0 0.896 94.3 36.8 -79.4 -52.7 86.7 45.8 81.3 61 69 A D S S- 0 0 58 51,-0.1 52,-3.5 -3,-0.1 -2,-0.2 -0.073 96.7 -98.0 -88.3-170.3 89.4 45.2 83.9 62 70 A K S S+ 0 0 123 50,-0.3 19,-3.3 51,-0.1 2,-0.2 0.043 82.1 116.8 -99.8 16.4 93.2 44.8 83.8 63 71 A K E -D 80 0A 79 17,-0.3 51,-1.9 18,-0.1 2,-0.5 -0.597 54.7-144.5 -90.9 153.8 93.0 41.0 83.9 64 72 A V E -De 79 114A 0 15,-2.6 15,-0.6 49,-0.3 2,-0.5 -0.962 13.4-171.0-121.3 118.5 94.3 38.8 81.1 65 73 A K E -De 78 115A 38 49,-2.3 51,-2.9 -2,-0.5 2,-0.4 -0.925 7.6-175.4-113.6 135.0 92.5 35.5 80.3 66 74 A L E -De 77 116A 0 11,-2.8 11,-2.1 -2,-0.5 2,-0.4 -0.970 11.7-175.9-140.4 131.3 94.0 33.0 77.9 67 75 A Y E - e 0 117A 30 49,-2.8 51,-2.5 -2,-0.4 2,-0.5 -0.958 7.2-163.1-123.5 138.4 92.9 29.8 76.4 68 76 A S E > - e 0 118A 3 3,-0.4 3,-2.4 -2,-0.4 6,-0.2 -0.924 10.5-159.1-126.0 103.5 94.9 27.5 74.2 69 77 A E T 3 S+ 0 0 78 49,-2.2 50,-0.1 -2,-0.5 -1,-0.1 0.614 94.1 59.8 -51.3 -13.9 93.0 24.9 72.2 70 78 A N T 3 S+ 0 0 62 48,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.672 114.5 30.7 -92.5 -21.0 96.2 23.0 72.0 71 79 A F X + 0 0 107 -3,-2.4 3,-0.9 4,-0.1 -3,-0.4 -0.707 68.8 161.1-137.8 75.3 96.8 22.6 75.6 72 80 A P G > + 0 0 62 0, 0.0 3,-1.0 0, 0.0 -3,-0.1 0.709 64.9 77.0 -69.1 -23.0 93.1 22.4 77.0 73 81 A K G 3 S+ 0 0 189 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.284 85.4 59.9 -71.1 -0.2 94.4 20.8 80.2 74 82 A L G < S- 0 0 85 -3,-0.9 -1,-0.3 1,-0.3 2,-0.1 0.604 92.1-162.5 -99.4 -19.4 95.7 24.1 81.5 75 83 A G < - 0 0 26 -3,-1.0 -7,-0.4 -4,-0.3 -1,-0.3 -0.453 52.8 -13.7 67.3-150.5 92.2 25.3 81.3 76 84 A V - 0 0 53 -9,-0.1 2,-0.4 -2,-0.1 -9,-0.2 -0.599 64.5-151.8 -87.2 145.3 92.2 29.0 81.4 77 85 A I E +D 66 0A 22 -11,-2.1 -11,-2.8 -2,-0.3 2,-0.3 -0.884 19.2 171.3-113.7 141.5 95.2 31.1 82.4 78 86 A E E +D 65 0A 83 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.933 13.0 154.8-144.1 168.1 95.0 34.6 83.9 79 87 A F E -D 64 0A 6 -15,-0.6 -15,-2.6 -2,-0.3 2,-0.3 -0.872 41.6-105.0-179.8 156.4 97.1 37.2 85.5 80 88 A D E > -D 63 0A 65 -2,-0.3 3,-2.8 -17,-0.2 2,-1.2 -0.748 42.0 -90.9-103.3 165.3 96.6 40.9 85.8 81 89 A L T 3 S+ 0 0 10 -19,-3.3 -18,-0.1 -2,-0.3 -1,-0.1 0.296 119.9 62.1 -46.7 8.0 98.4 43.5 83.9 82 90 A D T 3 S+ 0 0 126 -2,-1.2 -1,-0.3 -20,-0.1 3,-0.2 0.359 89.5 58.9-123.2 5.3 101.0 43.7 86.6 83 91 A E X + 0 0 56 -3,-2.8 3,-2.4 1,-0.1 -2,-0.2 0.373 68.5 111.4-108.3 4.6 102.5 40.4 86.7 84 92 A V T 3 S+ 0 0 6 -4,-0.4 17,-0.2 1,-0.3 -1,-0.1 0.821 75.0 57.8 -45.8 -31.5 103.6 40.6 83.1 85 93 A E T 3 S+ 0 0 150 -3,-0.2 2,-0.8 1,-0.1 -1,-0.3 0.759 93.8 71.6 -74.2 -25.3 107.2 40.8 84.4 86 94 A K S < S- 0 0 160 -3,-2.4 -1,-0.1 -4,-0.0 11,-0.0 -0.754 75.7-141.7 -99.4 110.4 107.2 37.5 86.3 87 95 A K - 0 0 92 -2,-0.8 2,-0.4 1,-0.1 3,-0.1 -0.169 4.8-136.9 -62.7 166.8 107.3 34.4 84.3 88 96 A D > - 0 0 67 1,-0.3 3,-2.9 3,-0.2 6,-0.2 -0.951 51.4 -78.2-126.0 98.0 105.4 31.2 85.2 89 97 A G T 3 S- 0 0 66 -2,-0.4 -1,-0.3 1,-0.3 5,-0.0 -0.072 95.3 -37.4 38.8-139.6 107.4 28.2 84.7 90 98 A E T 3 S+ 0 0 193 -3,-0.1 -1,-0.3 4,-0.0 2,-0.2 -0.154 94.5 148.4-103.7 37.4 107.5 27.3 81.0 91 99 A L X - 0 0 71 -3,-2.9 3,-1.8 1,-0.1 4,-0.3 -0.497 57.1-122.9 -77.8 151.2 103.9 28.3 80.3 92 100 A W T >> S+ 0 0 25 1,-0.3 4,-0.9 2,-0.2 3,-0.8 0.656 107.1 70.4 -55.4 -32.1 102.6 29.8 77.1 93 101 A S H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.686 82.8 77.1 -64.9 -17.5 101.3 32.9 78.8 94 102 A N H <> S+ 0 0 4 -3,-1.8 4,-3.1 1,-0.3 5,-0.3 0.930 92.8 48.8 -57.9 -43.7 105.0 33.8 79.2 95 103 A Y H <> S+ 0 0 55 -3,-0.8 4,-1.5 -4,-0.3 -1,-0.3 0.845 111.2 50.5 -63.7 -35.1 105.1 34.8 75.6 96 104 A V H X S+ 0 0 0 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.936 112.0 46.6 -71.8 -37.8 102.1 36.8 76.2 97 105 A K H X S+ 0 0 1 -4,-2.9 4,-3.2 2,-0.2 -2,-0.2 0.929 111.6 51.1 -62.5 -50.6 103.6 38.5 79.3 98 106 A G H X S+ 0 0 0 -4,-3.1 4,-4.9 1,-0.3 5,-0.3 0.896 106.5 52.7 -56.4 -47.3 106.9 39.3 77.6 99 107 A M H X S+ 0 0 0 -4,-1.5 4,-3.9 -5,-0.3 5,-0.3 0.942 111.1 47.7 -56.7 -43.2 105.4 40.9 74.6 100 108 A I H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.975 114.0 47.9 -60.6 -49.3 103.4 43.1 77.0 101 109 A V H X S+ 0 0 25 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.965 116.6 41.6 -55.4 -57.1 106.6 43.8 78.8 102 110 A M H X S+ 0 0 20 -4,-4.9 4,-0.8 1,-0.2 6,-0.2 0.922 113.5 54.7 -56.9 -46.2 108.5 44.5 75.6 103 111 A L H ><>S+ 0 0 0 -4,-3.9 5,-1.8 -5,-0.3 3,-1.0 0.922 111.0 43.5 -52.6 -51.1 105.6 46.5 74.1 104 112 A K H ><5S+ 0 0 56 -4,-2.9 3,-2.4 -5,-0.3 -1,-0.2 0.893 106.0 62.8 -60.0 -44.5 105.4 48.8 77.1 105 113 A G H 3<5S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.660 98.1 57.1 -57.6 -19.4 109.1 49.2 77.2 106 114 A A T <<5S- 0 0 38 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.229 133.1 -91.6 -97.0 9.6 109.1 50.8 73.8 107 115 A G T < 5S+ 0 0 64 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.187 85.4 135.4 98.1 -7.5 106.7 53.3 75.1 108 116 A Y < - 0 0 45 -5,-1.8 2,-0.6 -6,-0.2 -1,-0.3 -0.431 46.6-138.3 -74.5 147.7 103.6 51.5 74.2 109 117 A E - 0 0 108 37,-0.1 2,-1.0 -2,-0.1 -1,-0.1 -0.848 20.3-178.8-118.2 109.8 100.8 51.4 76.8 110 118 A I + 0 0 0 -2,-0.6 -6,-0.1 -10,-0.2 -2,-0.0 -0.845 17.8 162.6 -98.2 93.7 98.7 48.3 77.5 111 119 A D + 0 0 79 -2,-1.0 2,-0.3 2,-0.1 -1,-0.2 0.566 49.2 53.6 -90.6 -19.8 96.4 49.7 80.2 112 120 A K S S- 0 0 73 1,-0.1 -50,-0.3 -50,-0.1 -51,-0.1 -0.763 74.2-112.8-123.1 172.9 93.6 47.1 80.2 113 121 A G + 0 0 0 -52,-3.5 -54,-2.4 -2,-0.3 2,-0.3 -0.182 37.1 175.7 -83.3-178.2 93.0 43.5 80.5 114 122 A F E -Ce 58 64A 2 -51,-1.9 -49,-2.3 -56,-0.3 2,-0.4 -0.955 27.0-103.1-177.5 169.7 91.7 41.4 77.6 115 123 A E E -Ce 57 65A 5 -58,-4.3 -58,-1.3 -2,-0.3 2,-0.4 -0.886 27.8-171.2-114.3 145.6 90.8 38.0 76.5 116 124 A L E +Ce 56 66A 4 -51,-2.9 -49,-2.8 -2,-0.4 2,-0.5 -0.912 10.9 176.6-146.6 120.9 92.7 35.7 74.3 117 125 A L E -Ce 55 67A 0 -62,-4.2 -62,-2.8 -2,-0.4 2,-0.3 -0.947 17.2-178.2-113.5 134.4 92.0 32.4 72.6 118 126 A I E -Ce 54 68A 8 -51,-2.5 -49,-2.2 -2,-0.5 -48,-0.3 -0.923 19.5-176.9-135.9 158.2 94.4 30.7 70.4 119 127 A K E -C 53 0A 82 -66,-1.6 -66,-4.5 -2,-0.3 2,-0.4 -0.955 14.5-164.8-148.5 132.7 94.9 27.7 68.2 120 128 A G E -C 52 0A 18 -2,-0.3 -68,-0.3 -68,-0.3 -70,-0.1 -0.987 21.6-164.4-134.4 126.2 98.2 26.9 66.3 121 129 A E + 0 0 83 -70,-3.4 -69,-0.2 -2,-0.4 -1,-0.1 0.549 63.6 109.8 -82.4 -5.9 98.8 24.6 63.5 122 130 A I S S- 0 0 14 -71,-0.6 -2,-0.1 8,-0.1 -1,-0.1 -0.602 73.5-122.7 -84.7 113.7 102.5 24.8 64.2 123 131 A P > - 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