==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAY-11 3S4D . COMPND 2 MOLECULE: LACTOSE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS UDA; . AUTHOR A.VAN HOOREBEKE,J.STOUT,W.SOETAERT,J.VAN BEEUMEN,T.DESMET,S. . 822 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 21.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 83 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 5 2 1 0 2 2 0 2 3 0 1 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 17 8 9 5 2 4 0 2 0 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 . 3 2 2 2 1 0 0 0 0 0 0 1 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 1 A M 0 0 130 0, 0.0 699,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 152.1 -17.5 -21.0 48.0 2 2 A R - 0 0 58 697,-0.2 3,-0.1 698,-0.1 696,-0.1 -0.951 360.0-178.8-160.0 149.8 -20.1 -18.3 47.6 3 3 A Y S S- 0 0 18 -2,-0.3 13,-3.9 1,-0.2 14,-0.6 0.296 70.7 -13.0-136.0 2.9 -20.0 -14.5 48.0 4 4 A G E -A 15 0A 10 11,-0.3 2,-0.3 693,-0.2 -1,-0.2 -0.954 60.7-129.0 179.2-168.2 -23.6 -13.4 47.2 5 5 A H E -A 14 0A 91 9,-1.0 9,-2.7 -2,-0.3 2,-0.5 -0.937 29.9 -87.4-155.5 172.6 -26.9 -14.5 45.7 6 6 A F E -A 13 0A 13 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.790 23.0-165.6 -93.3 131.8 -29.5 -13.6 43.2 7 7 A D E >>> +A 12 0A 67 5,-3.0 5,-1.3 -2,-0.5 3,-1.1 -0.758 14.2 173.8-111.2 80.3 -32.4 -11.3 44.2 8 8 A D G >45S+ 0 0 54 -2,-0.6 3,-2.4 1,-0.3 -1,-0.2 0.940 74.3 60.7 -48.3 -59.3 -34.7 -11.9 41.2 9 9 A E G 345S+ 0 0 100 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.783 116.2 35.5 -42.9 -32.1 -37.6 -9.9 42.7 10 10 A A G <45S- 0 0 37 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.514 110.3-126.5 -98.5 -10.0 -35.2 -6.9 42.7 11 11 A R T <<5 + 0 0 80 -3,-2.4 2,-0.3 -4,-0.9 90,-0.3 0.972 68.8 107.4 62.0 58.5 -33.5 -8.0 39.4 12 12 A E E < -A 7 0A 27 -5,-1.3 -5,-3.0 88,-0.1 2,-0.5 -0.992 67.7-120.2-165.7 152.2 -30.0 -7.9 40.9 13 13 A Y E -AB 6 99A 0 86,-0.7 86,-3.3 -2,-0.3 2,-0.3 -0.855 31.2-152.3-101.2 128.7 -26.9 -9.8 42.1 14 14 A V E -AB 5 98A 11 -9,-2.7 -9,-1.0 -2,-0.5 2,-0.4 -0.757 3.6-155.0-104.0 143.5 -25.9 -9.2 45.7 15 15 A I E -AB 4 97A 0 82,-1.7 82,-1.6 -2,-0.3 -11,-0.3 -0.970 11.2-166.3-125.5 134.9 -22.4 -9.4 47.2 16 16 A T S S+ 0 0 93 -13,-3.9 79,-0.3 -2,-0.4 -12,-0.1 0.881 70.4 15.1 -77.9 -44.2 -21.5 -10.1 50.8 17 17 A T - 0 0 32 -14,-0.6 3,-0.4 80,-0.1 -1,-0.1 -0.909 57.1-128.4-139.1 157.8 -17.8 -9.1 50.8 18 18 A P S S+ 0 0 19 0, 0.0 22,-0.0 0, 0.0 68,-0.0 0.321 94.8 89.4 -76.8 0.6 -14.9 -7.3 48.9 19 19 A H + 0 0 111 -16,-0.1 -3,-0.0 2,-0.0 0, 0.0 0.088 54.7 142.5 -97.4 22.3 -13.0 -10.6 49.3 20 20 A T - 0 0 17 -3,-0.4 681,-0.0 1,-0.1 685,-0.0 -0.194 62.7-115.5 -46.0 153.2 -14.3 -12.0 46.1 21 21 A P S S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 684,-0.1 0.895 94.2 7.0 -64.6 -46.6 -11.7 -14.0 44.2 22 22 A Y S S- 0 0 50 682,-0.2 2,-0.2 683,-0.0 682,-0.0 -0.936 100.7 -78.4-136.2 153.9 -11.5 -11.7 41.2 23 23 A P - 0 0 17 0, 0.0 2,-0.5 0, 0.0 683,-0.2 -0.390 42.9-155.7 -62.0 125.8 -13.1 -8.3 40.6 24 24 A W - 0 0 0 -2,-0.2 15,-2.6 681,-0.1 2,-0.2 -0.897 19.8-177.4-104.0 125.0 -16.7 -8.6 39.7 25 25 A I E -M 38 0B 0 -2,-0.5 2,-0.3 13,-0.3 13,-0.3 -0.690 21.2-143.7-123.8 169.1 -18.1 -5.7 37.7 26 26 A N E -M 37 0B 1 11,-1.8 11,-2.1 -2,-0.2 2,-0.6 -0.910 21.1-124.2-126.6 158.5 -21.2 -4.3 36.1 27 27 A Y E -M 36 0B 4 -2,-0.3 75,-0.4 73,-0.2 2,-0.4 -0.916 24.4-162.0-106.7 113.5 -21.7 -2.4 32.9 28 28 A L E +M 35 0B 0 7,-2.8 7,-1.9 -2,-0.6 75,-0.1 -0.735 53.6 31.0 -91.8 138.8 -23.5 1.0 33.3 29 29 A G - 0 0 13 92,-0.5 73,-0.1 -2,-0.4 99,-0.0 0.685 49.0-158.0 89.2 121.9 -25.0 2.8 30.3 30 30 A S S S+ 0 0 13 91,-0.1 4,-0.1 3,-0.1 -1,-0.1 0.391 76.1 41.7-112.8 0.9 -26.6 1.4 27.2 31 31 A E S S- 0 0 68 2,-0.3 3,-0.1 317,-0.0 95,-0.1 0.833 121.1 -27.1-116.5 -63.5 -26.5 4.1 24.6 32 32 A Q S S+ 0 0 73 1,-0.3 16,-3.8 93,-0.1 2,-0.4 0.566 121.6 44.8-136.5 -25.5 -23.5 6.4 24.1 33 33 A F E + N 0 47B 5 14,-0.3 2,-0.3 92,-0.1 -1,-0.3 -0.929 65.1 178.1-134.8 105.9 -21.6 6.7 27.3 34 34 A F E - N 0 46B 11 12,-1.0 12,-2.2 -2,-0.4 2,-0.3 -0.828 10.0-160.9-107.3 147.2 -20.9 3.5 29.3 35 35 A S E -MN 28 45B 0 -7,-1.9 -7,-2.8 -2,-0.3 2,-0.5 -0.921 10.0-142.9-122.8 155.0 -19.0 3.1 32.5 36 36 A L E -MN 27 44B 0 8,-3.1 8,-1.2 -2,-0.3 2,-0.5 -0.971 20.9-175.0-114.9 117.9 -17.5 -0.1 34.0 37 37 A L E -MN 26 43B 0 -11,-2.1 -11,-1.8 -2,-0.5 6,-0.2 -0.922 17.1-147.8-128.0 119.2 -17.6 -0.4 37.7 38 38 A S E > -M 25 0B 0 4,-4.7 3,-3.4 -2,-0.5 -13,-0.3 -0.366 38.9-109.0 -59.7 148.9 -16.1 -3.1 39.9 39 39 A H T 3 S+ 0 0 3 -15,-2.6 -1,-0.1 1,-0.3 -14,-0.1 0.645 126.1 63.1 -55.8 -12.0 -18.2 -3.9 42.9 40 40 A Q T 3 S- 0 0 10 -16,-0.2 -1,-0.3 2,-0.2 28,-0.1 0.391 122.0-111.8 -89.3 2.5 -15.1 -2.1 44.5 41 41 A A S < S+ 0 0 1 -3,-3.4 29,-2.8 1,-0.3 -2,-0.1 0.348 79.4 136.8 75.9 -5.3 -16.0 1.0 42.6 42 42 A G B +Q 69 0C 0 27,-0.3 -4,-4.7 42,-0.1 -1,-0.3 -0.378 32.3 68.8 -65.9 149.6 -12.8 0.2 40.7 43 43 A G E -N 37 0B 4 25,-1.0 2,-0.3 -6,-0.2 -6,-0.2 -0.945 67.1-107.5 136.1-157.8 -13.1 0.6 36.9 44 44 A Y E -N 36 0B 0 -8,-1.2 -8,-3.1 -2,-0.3 2,-0.3 -0.965 14.8-119.2-167.1 176.9 -13.4 3.5 34.5 45 45 A S E +N 35 0B 0 -2,-0.3 10,-1.5 -10,-0.2 11,-1.4 -0.938 21.5 172.4-136.9 150.5 -15.6 5.4 32.0 46 46 A F E -NO 34 54B 4 -12,-2.2 -12,-1.0 -2,-0.3 2,-0.6 -0.991 29.2-119.8-154.6 158.7 -15.8 6.3 28.3 47 47 A Y E S-N 33 0B 27 6,-1.4 2,-4.4 2,-0.6 -14,-0.3 -0.915 81.3 -44.9-105.5 123.9 -17.9 7.9 25.6 48 48 A R S S+ 0 0 74 -16,-3.8 2,-0.3 -2,-0.6 -15,-0.1 -0.209 135.4 36.7 60.0 -63.4 -18.8 5.8 22.6 49 49 A D > - 0 0 2 -2,-4.4 4,-0.7 1,-0.1 -2,-0.6 -0.903 56.7-169.2-120.7 144.7 -15.3 4.5 22.4 50 50 A A T 4 S+ 0 0 0 -2,-0.3 107,-0.4 -4,-0.2 4,-0.2 0.602 86.8 64.7-105.5 -19.8 -12.8 3.7 25.2 51 51 A K T 4 S+ 0 0 34 2,-0.1 106,-1.8 311,-0.1 107,-0.7 0.941 124.4 17.1 -61.5 -44.0 -9.7 3.3 23.0 52 52 A M T 4 S+ 0 0 60 104,-0.2 2,-0.5 1,-0.2 -2,-0.2 0.854 132.6 38.7-101.7 -44.1 -10.1 7.0 22.2 53 53 A R < + 0 0 49 -4,-0.7 -6,-1.4 -6,-0.3 2,-1.1 -0.684 63.3 162.4-114.0 72.6 -12.3 8.6 24.7 54 54 A R E -OP 46 155B 1 101,-1.8 101,-0.8 -2,-0.5 99,-0.3 -0.821 21.3-164.9 -84.8 101.7 -11.4 7.0 28.0 55 55 A L E + 0 0 3 -10,-1.5 98,-3.0 -2,-1.1 100,-0.4 0.980 68.2 21.8 -51.8 -54.7 -12.9 9.5 30.4 56 56 A T E S- P 0 152B 8 -11,-1.4 2,-0.4 96,-0.3 96,-0.3 -0.791 82.7 -99.9-129.0 161.1 -10.9 8.1 33.3 57 57 A R + 0 0 16 94,-3.8 2,-0.3 -2,-0.3 94,-0.2 -0.566 32.3 170.0 -86.8 122.6 -7.8 6.0 34.1 58 58 A Y - 0 0 15 -2,-0.4 2,-0.5 -16,-0.1 11,-0.1 -0.918 19.2-149.7-119.9 152.7 -7.8 2.4 35.0 59 59 A R - 0 0 88 -2,-0.3 7,-0.4 9,-0.2 8,-0.1 -0.957 8.8-163.5-128.4 108.9 -4.6 0.3 35.3 60 60 A Y S S+ 0 0 40 -2,-0.5 3,-0.1 1,-0.2 296,-0.1 -0.293 76.0 43.4 -74.6 173.7 -4.7 -3.4 34.5 61 61 A N S S+ 0 0 174 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.982 88.8 161.5 51.8 58.5 -2.0 -5.7 35.7 62 62 A N - 0 0 37 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.894 43.1-105.0-116.7 152.9 -2.1 -3.9 39.0 63 63 A I S S+ 0 0 166 -2,-0.3 2,-0.2 1,-0.2 -3,-0.0 -0.945 117.5 19.9-121.0 106.7 -0.8 -4.9 42.4 64 64 A P S > S- 0 0 91 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.645 119.8-101.8 -74.7 166.4 -3.2 -5.8 44.0 65 65 A A T 3 S+ 0 0 65 1,-0.2 -2,-0.1 -2,-0.2 -5,-0.1 -0.289 99.9 7.1 -56.6 113.9 -5.3 -6.3 41.0 66 66 A D T 3 + 0 0 10 -7,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.677 68.2 157.9 95.3 23.7 -7.6 -3.3 40.8 67 67 A A < + 0 0 23 -3,-1.3 -1,-0.2 -8,-0.1 -8,-0.1 -0.695 57.6 59.3 -74.9 118.1 -6.6 -0.6 43.3 68 68 A G + 0 0 14 -2,-0.7 -25,-1.0 -28,-0.1 -9,-0.2 0.352 56.8 126.7 119.9 97.8 -8.1 2.5 41.8 69 69 A G B S-Q 42 0C 12 -27,-0.3 2,-0.5 -29,-0.1 -27,-0.3 -0.770 74.2 -45.4-149.3-165.8 -11.7 3.2 41.0 70 70 A R S S- 0 0 15 -29,-2.8 2,-0.3 -2,-0.2 80,-0.2 -0.658 74.4-176.6 -71.8 122.3 -14.1 5.9 41.9 71 71 A Y E -R 149 0D 4 78,-0.8 78,-3.3 -2,-0.5 2,-0.5 -0.935 29.5-150.7-131.1 149.0 -13.5 6.4 45.6 72 72 A L E -R 148 0D 7 -2,-0.3 2,-0.5 76,-0.2 76,-0.3 -0.978 16.7-151.7-115.9 120.3 -14.8 8.4 48.5 73 73 A Y E -R 147 0D 0 74,-5.6 74,-5.1 -2,-0.5 2,-0.5 -0.814 13.5-167.1 -91.0 131.4 -12.3 9.3 51.2 74 74 A V E -RS 146 81D 0 7,-1.2 7,-1.7 -2,-0.5 2,-0.6 -0.973 8.5-164.3-125.7 126.0 -13.8 9.7 54.7 75 75 A N E -RS 145 80D 13 70,-2.5 70,-1.4 -2,-0.5 2,-0.7 -0.946 4.4-175.3-113.1 117.2 -12.1 11.2 57.7 76 76 A D E S-R 144 0D 41 3,-2.5 68,-0.1 -2,-0.6 4,-0.1 -0.793 79.3 -42.3-110.2 87.8 -13.7 10.6 61.1 77 77 A G S S- 0 0 81 -2,-0.7 -1,-0.1 66,-0.6 3,-0.1 0.962 132.2 -27.3 51.6 55.6 -11.6 12.6 63.5 78 78 A G S S+ 0 0 62 1,-0.2 2,-0.6 152,-0.1 -1,-0.2 0.603 113.7 126.2 84.7 12.9 -8.4 11.6 61.9 79 79 A D - 0 0 32 2,-0.0 -3,-2.5 0, 0.0 2,-0.6 -0.912 38.9-170.8-108.1 116.3 -9.9 8.3 60.7 80 80 A V E +S 75 0D 19 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.910 19.5 147.5-111.2 119.5 -9.6 7.6 57.0 81 81 A W E -S 74 0D 0 -7,-1.7 -7,-1.2 -2,-0.6 29,-0.1 -0.983 31.3-146.2-146.3 155.8 -11.5 4.7 55.4 82 82 A T > - 0 0 0 -2,-0.3 3,-1.4 3,-0.3 8,-0.5 -0.997 12.2-147.0-130.9 131.3 -13.2 3.8 52.2 83 83 A P T 3 S+ 0 0 9 0, 0.0 3,-0.2 0, 0.0 24,-0.2 0.686 103.5 68.2 -64.2 -27.8 -16.4 1.7 51.8 84 84 A S T 3 S- 0 0 7 1,-0.3 2,-3.2 -12,-0.2 -42,-0.1 0.636 98.0-149.9 -63.4 -9.3 -14.9 0.4 48.5 85 85 A W <> + 0 0 69 -3,-1.4 4,-3.4 4,-0.0 5,-0.3 -0.457 61.8 109.4 68.2 -71.8 -12.6 -1.1 51.1 86 86 A L T 4 + 0 0 13 -2,-3.2 -2,-0.2 2,-0.3 2,-0.1 -0.397 66.6 26.3 -45.6 141.0 -10.2 -0.7 48.3 87 87 A P T 4 S+ 0 0 17 0, 0.0 138,-0.4 0, 0.0 -1,-0.2 -0.924 133.5 29.8 -93.8 -25.3 -8.0 1.2 48.2 88 88 A V T 4 S- 0 0 36 136,-0.2 -2,-0.3 -2,-0.1 -8,-0.0 0.706 88.7-148.7 -65.2 -17.8 -7.3 1.8 51.9 89 89 A K < + 0 0 50 -4,-3.4 -3,-0.2 -7,-0.1 2,-0.2 0.960 30.5 178.2 42.8 75.3 -8.5 -1.7 52.6 90 90 A A - 0 0 12 -8,-0.5 2,-0.8 -5,-0.3 -1,-0.1 -0.502 38.5 -87.0-104.1 170.9 -9.9 -1.0 56.0 91 91 A D - 0 0 133 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S S- 0 0 4 -90,-0.3 214,-0.2 -2,-0.2 3,-0.1 -0.795 121.1 -11.9 -95.2 96.4 -29.4 -3.4 35.4 102 102 A G S S+ 0 0 3 -2,-1.1 19,-1.0 -75,-0.4 2,-0.3 0.313 136.8 54.1 94.0 -6.3 -27.5 -0.2 34.4 103 103 A Y E - D 0 120A 22 17,-0.2 -3,-2.4 -75,-0.1 2,-0.3 -0.957 56.7-156.0-153.0 169.2 -26.4 0.3 38.0 104 104 A S E -CD 99 119A 1 15,-2.0 15,-3.3 -2,-0.3 2,-0.4 -0.979 13.8-140.1-147.0 158.8 -24.7 -1.0 41.1 105 105 A T E -CD 98 118A 20 -7,-2.0 -7,-1.5 -2,-0.3 2,-0.4 -0.954 11.2-170.1-122.4 134.3 -24.8 -0.2 44.8 106 106 A I E +CD 97 117A 7 11,-1.9 11,-3.4 -2,-0.4 2,-0.4 -0.995 8.7 178.3-126.6 128.4 -21.8 -0.1 47.1 107 107 A T E +CD 96 116A 8 -11,-2.2 -11,-2.1 -2,-0.4 2,-0.4 -0.994 0.9 178.7-134.0 127.7 -22.3 0.2 50.8 108 108 A G E -CD 95 115A 0 7,-2.8 7,-2.3 -2,-0.4 2,-0.4 -0.982 9.3-164.4-135.2 142.5 -19.7 0.3 53.5 109 109 A E E +CD 94 114A 30 -15,-2.2 -16,-3.7 -2,-0.4 -15,-1.1 -0.893 17.0 155.7-135.2 109.7 -19.7 0.6 57.3 110 110 A R E > - D 0 113A 35 3,-1.0 3,-0.7 -2,-0.4 -18,-0.1 -0.993 64.9 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