==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-JUN-12 4AYJ . COMPND 2 MOLECULE: BOGT - METAL-INDEPENDENT GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR N.THIYAGARAJAN,T.T.K.PHAM,B.STINSONB,A.SUNDRIYALA,P.TUMBALE, . 935 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 635 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 118 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 7.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.1 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 . 77 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 4 4 0 4 0 0 1 5 1 1 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 4 2 6 0 4 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 . 0 0 4 3 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 4 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 1 A M 0 0 127 0, 0.0 34,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -67.6 -3.4 17.8 25.8 2 2 A R E -a 35 0A 71 32,-0.2 88,-1.6 34,-0.1 87,-1.5 -0.740 360.0-163.7 -95.3 129.1 -0.4 15.9 27.3 3 3 A I E -ab 36 90A 0 32,-2.1 34,-2.1 -2,-0.5 2,-0.4 -0.883 5.1-157.0-113.5 107.3 3.2 17.2 27.1 4 4 A G E -ab 37 91A 0 86,-3.3 88,-1.4 -2,-0.7 2,-0.5 -0.651 8.0-164.2 -76.5 133.4 6.0 14.8 27.8 5 5 A I E -ab 38 92A 0 32,-1.6 34,-2.6 -2,-0.4 2,-0.5 -0.983 4.4-154.9-119.0 129.8 9.3 16.5 28.9 6 6 A L E +ab 39 93A 1 86,-2.8 88,-1.7 -2,-0.5 2,-0.4 -0.902 21.0 169.0-108.9 128.9 12.4 14.5 28.8 7 7 A Y E -a 40 0A 0 32,-2.6 34,-3.0 -2,-0.5 2,-0.5 -0.999 17.1-163.1-147.4 139.0 15.2 15.7 31.1 8 8 A I E +a 41 0A 19 86,-0.5 2,-0.4 -2,-0.4 88,-0.3 -0.971 15.9 161.7-129.8 116.4 18.5 14.2 32.1 9 9 A C + 0 0 0 32,-2.0 35,-0.5 -2,-0.5 34,-0.4 -0.870 12.5 161.1-135.6 112.1 20.5 15.2 35.1 10 10 A T > + 0 0 6 -2,-0.4 3,-1.8 32,-0.2 52,-0.1 -0.760 56.1 7.6-124.3 166.7 23.1 12.9 36.4 11 11 A G G > S- 0 0 19 -2,-0.3 3,-0.9 1,-0.3 32,-0.1 -0.382 137.5 -21.0 54.2-138.8 26.1 13.4 38.6 12 12 A K G > S+ 0 0 154 1,-0.2 3,-2.6 2,-0.1 -1,-0.3 0.606 114.9 96.9 -74.8 -12.0 26.0 17.0 39.8 13 13 A Y G X> + 0 0 93 -3,-1.8 3,-2.5 1,-0.3 4,-0.5 0.679 61.6 83.9 -55.4 -17.9 23.7 18.2 37.0 14 14 A D H X> S+ 0 0 46 -3,-0.9 4,-0.8 1,-0.3 3,-0.6 0.734 71.2 77.5 -60.1 -18.8 20.7 17.7 39.3 15 15 A I H <4 S+ 0 0 118 -3,-2.6 4,-0.4 1,-0.2 -1,-0.3 0.685 91.3 55.7 -65.6 -14.5 21.5 21.2 40.6 16 16 A F H <> S+ 0 0 30 -3,-2.5 4,-2.2 -4,-0.2 3,-0.4 0.819 90.9 72.8 -81.6 -33.3 19.8 22.4 37.4 17 17 A W H S+ 0 0 68 -4,-0.4 4,-3.2 -3,-0.4 5,-0.3 0.857 117.2 54.6 -78.5 -36.7 15.0 26.0 38.8 20 20 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 80,-0.2 0.960 113.3 45.4 -57.4 -50.0 14.3 24.4 35.4 21 21 A Y H X S+ 0 0 9 -4,-3.5 4,-1.5 -5,-0.2 -2,-0.2 0.935 113.8 48.3 -57.2 -52.1 11.4 22.7 37.1 22 22 A L H >X S+ 0 0 63 -4,-2.3 4,-1.2 -5,-0.4 3,-0.7 0.950 112.6 46.7 -56.8 -52.7 10.2 25.9 38.8 23 23 A S H >X>S+ 0 0 12 -4,-3.2 4,-2.4 1,-0.3 3,-0.5 0.882 108.3 58.0 -58.8 -34.8 10.4 28.0 35.7 24 24 A A H 3<5S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.3 -1,-0.3 0.843 102.2 54.3 -64.7 -34.3 8.6 25.4 33.8 25 25 A E H <<5S+ 0 0 66 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.776 115.3 39.5 -69.8 -31.2 5.7 25.6 36.2 26 26 A R H <<5S+ 0 0 151 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.850 133.2 12.3 -80.8 -42.2 5.4 29.3 35.6 27 27 A Y T ><5S+ 0 0 60 -4,-2.4 77,-2.1 -5,-0.2 3,-0.8 0.829 95.2 90.9-111.1 -52.8 6.1 29.7 31.8 28 28 A F B 3 S- 0 0 65 -2,-1.0 3,-2.7 3,-0.3 0, 0.0 -0.932 75.6-117.7-156.1 144.4 -3.0 26.5 30.0 32 32 A Q T 3 S+ 0 0 197 1,-0.3 -2,-0.0 -2,-0.3 3,-0.0 0.545 111.6 74.5 -66.7 -6.5 -5.6 24.2 31.5 33 33 A S T 3 S+ 0 0 56 1,-0.0 2,-0.4 -31,-0.0 -1,-0.3 0.755 93.7 64.4 -68.9 -26.3 -5.6 22.5 28.1 34 34 A F < - 0 0 30 -3,-2.7 2,-0.5 -5,-0.1 -3,-0.3 -0.830 56.8-168.1-114.7 139.7 -2.2 21.0 29.0 35 35 A I E -a 2 0A 68 -34,-2.1 -32,-2.1 -2,-0.4 2,-0.5 -0.982 21.7-150.0-116.5 119.4 -1.0 18.5 31.5 36 36 A I E -a 3 0A 19 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.763 9.2-165.8 -99.3 128.6 2.8 18.3 31.8 37 37 A E E -a 4 0A 21 -34,-2.1 -32,-1.6 -2,-0.5 2,-0.6 -0.887 9.1-150.2-107.5 142.9 4.7 15.2 32.7 38 38 A Y E -ac 5 56A 3 17,-3.1 19,-3.3 -2,-0.4 2,-0.8 -0.944 8.5-169.9-117.7 114.2 8.4 15.3 33.7 39 39 A Y E -ac 6 57A 0 -34,-2.6 -32,-2.6 -2,-0.6 2,-0.8 -0.883 11.9-174.2-103.9 107.0 10.6 12.4 33.0 40 40 A V E -ac 7 58A 0 17,-2.2 19,-1.9 -2,-0.8 2,-0.6 -0.843 10.5-156.9-113.1 103.5 13.8 13.1 34.8 41 41 A F E +ac 8 59A 0 -34,-3.0 -32,-2.0 -2,-0.8 2,-0.3 -0.637 35.8 139.9 -87.3 117.2 16.6 10.6 34.2 42 42 A T E - c 0 60A 1 17,-2.4 19,-2.3 -2,-0.6 -32,-0.2 -0.995 58.5-142.3-157.9 156.3 19.0 10.7 37.0 43 43 A D S S+ 0 0 64 -34,-0.4 -33,-0.1 -2,-0.3 19,-0.1 0.312 72.1 111.1 -99.4 1.4 21.3 8.9 39.4 44 44 A S S S- 0 0 16 -35,-0.5 3,-0.1 17,-0.1 -2,-0.1 -0.571 70.6-131.6 -79.6 144.2 20.4 11.2 42.3 45 45 A P S S+ 0 0 104 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.876 83.8 14.1 -65.3 -42.5 18.3 9.8 45.2 46 46 A K - 0 0 124 -3,-0.0 -3,-0.0 5,-0.0 3,-0.0 -0.992 63.7-154.0-144.3 138.1 15.7 12.6 45.4 47 47 A L - 0 0 12 -2,-0.4 2,-0.5 -3,-0.1 4,-0.2 -0.066 42.1 -76.8 -88.5-170.3 14.6 15.5 43.2 48 48 A Y S S- 0 0 94 1,-0.2 -1,-0.1 2,-0.1 -27,-0.0 -0.830 109.1 -8.0 -95.3 131.0 13.0 18.7 44.2 49 49 A D S >> S+ 0 0 35 -2,-0.5 4,-2.3 1,-0.1 3,-0.8 0.517 90.5 134.3 70.2 0.5 9.3 18.7 45.1 50 50 A E T 34 + 0 0 44 1,-0.2 6,-0.2 2,-0.2 -1,-0.1 0.734 66.2 57.7 -55.0 -24.7 9.3 15.1 43.8 51 51 A E T 34 S+ 0 0 141 -4,-0.2 -1,-0.2 1,-0.1 -3,-0.0 0.866 111.7 37.2 -72.7 -42.1 7.3 14.2 47.0 52 52 A N T <4 S+ 0 0 119 -3,-0.8 2,-0.5 1,-0.1 -2,-0.2 0.782 106.1 73.9 -81.5 -29.1 4.4 16.6 46.3 53 53 A N >< - 0 0 30 -4,-2.3 3,-0.6 1,-0.1 -1,-0.1 -0.790 51.1-170.3-103.1 129.2 4.2 16.3 42.6 54 54 A K T 3 S+ 0 0 161 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.578 87.7 63.6 -85.1 -12.3 2.7 13.3 40.8 55 55 A H T 3 S+ 0 0 41 -18,-0.1 -17,-3.1 2,-0.0 2,-0.8 0.450 79.3 91.0 -94.2 -3.2 3.9 14.5 37.5 56 56 A I E < -c 38 0A 10 -3,-0.6 2,-0.8 -19,-0.2 -17,-0.2 -0.849 61.4-170.2 -89.8 109.8 7.6 14.4 38.4 57 57 A H E -c 39 0A 38 -19,-3.3 -17,-2.2 -2,-0.8 2,-0.4 -0.879 7.7-155.8-103.4 106.3 8.7 10.9 37.3 58 58 A R E -c 40 0A 82 -2,-0.8 2,-0.5 -19,-0.2 -17,-0.2 -0.663 8.1-165.0 -78.4 130.2 12.1 10.0 38.6 59 59 A I E -c 41 0A 20 -19,-1.9 -17,-2.4 -2,-0.4 2,-0.7 -0.983 22.3-124.6-116.7 126.8 13.7 7.4 36.4 60 60 A K E +c 42 0A 155 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.578 43.9 159.1 -78.3 114.2 16.8 5.7 37.9 61 61 A Q - 0 0 25 -19,-2.3 -17,-0.1 -2,-0.7 3,-0.1 -0.977 32.5-134.4-138.2 117.7 19.6 6.2 35.4 62 62 A K - 0 0 168 -2,-0.4 2,-0.4 1,-0.1 -18,-0.1 -0.233 36.9 -84.9 -69.9 161.3 23.2 5.8 36.5 63 63 A N - 0 0 63 1,-0.1 -1,-0.1 -20,-0.1 -21,-0.0 -0.552 38.9-175.0 -69.3 119.7 25.9 8.3 35.5 64 64 A L - 0 0 59 -2,-0.4 4,-0.3 1,-0.1 -1,-0.1 0.559 32.8-134.6 -92.9 -11.1 27.4 7.4 32.1 65 65 A G > - 0 0 26 3,-0.1 4,-2.1 2,-0.1 5,-0.1 0.189 46.3 -18.7 72.0 162.2 30.1 10.0 32.1 66 66 A W T 4 S+ 0 0 174 1,-0.3 2,-0.1 2,-0.2 0, 0.0 -0.419 124.3 8.0 -76.1 152.2 30.8 12.2 29.1 67 67 A P T >> S+ 0 0 28 0, 0.0 4,-3.5 0, 0.0 3,-1.7 -0.939 125.2 59.3 -74.4 -16.1 30.2 12.0 26.1 68 68 A D H 3> S+ 0 0 55 1,-0.3 4,-2.7 -4,-0.3 -2,-0.2 0.778 95.6 67.9 -50.4 -28.9 27.9 9.0 26.7 69 69 A N H 3< S+ 0 0 31 -4,-2.1 -1,-0.3 1,-0.2 -3,-0.1 0.933 119.4 20.6 -51.4 -52.3 25.8 11.2 29.0 70 70 A T H X4 S+ 0 0 16 -3,-1.7 3,-1.2 -5,-0.1 -2,-0.2 0.776 123.7 59.8 -83.5 -31.8 24.7 13.2 25.9 71 71 A L H 3< S+ 0 0 11 -4,-3.5 3,-0.4 1,-0.3 -3,-0.2 0.895 104.2 47.9 -67.5 -37.4 25.6 10.5 23.4 72 72 A K T >X S+ 0 0 50 -4,-2.7 4,-2.0 -5,-0.3 3,-1.1 0.275 74.8 126.6 -88.7 11.0 23.3 7.8 24.7 73 73 A R H <> S+ 0 0 19 -3,-1.2 4,-1.7 1,-0.3 -1,-0.2 0.798 75.2 39.4 -43.0 -49.2 20.3 10.2 24.9 74 74 A F H 3> S+ 0 0 3 -3,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.731 110.2 60.4 -82.6 -19.6 17.8 8.1 22.9 75 75 A H H <4 S+ 0 0 43 -3,-1.1 4,-0.4 2,-0.2 -1,-0.2 0.923 110.1 43.2 -60.4 -43.9 19.0 4.9 24.5 76 76 A I H >< S+ 0 0 6 -4,-2.0 3,-0.7 1,-0.2 4,-0.4 0.831 112.5 50.9 -76.4 -34.3 18.0 6.4 27.8 77 77 A F H >< S+ 0 0 1 -4,-1.7 3,-1.0 -5,-0.3 -1,-0.2 0.855 102.5 62.8 -67.0 -35.1 14.7 7.8 26.6 78 78 A L G >< S+ 0 0 33 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.597 82.6 77.6 -75.6 -8.1 13.8 4.5 25.1 79 79 A R G < S+ 0 0 133 -3,-0.7 3,-0.3 -4,-0.4 -1,-0.2 0.870 106.3 33.4 -65.1 -39.6 13.7 2.6 28.4 80 80 A I G X> S+ 0 0 11 -3,-1.0 4,-2.8 -4,-0.4 3,-0.6 0.147 86.9 125.6 -96.5 13.3 10.4 4.1 29.3 81 81 A K H <> S+ 0 0 68 -3,-1.0 4,-1.0 1,-0.3 -1,-0.2 0.833 73.5 45.9 -46.1 -42.8 9.4 4.0 25.6 82 82 A E H 3> S+ 0 0 116 -4,-0.3 4,-0.9 -3,-0.3 3,-0.4 0.898 112.5 50.4 -73.3 -36.1 6.3 2.1 26.2 83 83 A Q H X> S+ 0 0 50 -3,-0.6 4,-2.4 1,-0.2 3,-0.6 0.906 107.0 57.5 -58.9 -42.4 5.3 4.3 29.2 84 84 A L H 3X S+ 0 0 1 -4,-2.8 4,-0.9 1,-0.3 -1,-0.2 0.754 102.2 52.5 -63.8 -28.2 5.9 7.3 27.0 85 85 A E H 3< S+ 0 0 47 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.766 112.6 47.6 -81.2 -23.5 3.4 6.2 24.4 86 86 A R H << S+ 0 0 158 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.1 0.967 118.0 34.0 -73.6 -60.6 0.8 5.8 27.1 87 87 A E H < S+ 0 0 47 -4,-2.4 2,-0.4 2,-0.0 -2,-0.2 0.468 108.9 58.6 -87.6 -5.4 1.2 9.1 29.0 88 88 A T < - 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