==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 05-JUL-04 1TXK . COMPND 2 MOLECULE: GLUCANS BIOSYNTHESIS PROTEIN G; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.HANOULLE,E.ROLLET,B.CLANTIN,I.LANDRIEU,C.ODBERG-FERRAGUT,G . 977 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 652 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 368 37.7 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.1 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 . 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 . 109 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 0 2 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 . 10 10 7 2 5 9 5 5 2 6 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 2 2 0 0 0 0 0 0 2 0 0 1 1 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 23 A F 0 0 91 0, 0.0 2,-0.3 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 136.3 -12.0 -4.9 -105.2 2 24 A S >> - 0 0 42 1,-0.0 4,-1.0 192,-0.0 3,-1.0 -0.863 360.0 -77.9-150.6-176.0 -15.0 -6.1 -103.3 3 25 A I H 3> S+ 0 0 12 -2,-0.3 4,-3.4 1,-0.3 3,-0.2 0.825 122.3 67.8 -62.1 -27.8 -16.6 -9.2 -101.9 4 26 A D H 3> S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.867 93.9 55.9 -60.8 -36.1 -17.8 -10.0 -105.4 5 27 A D H <> S+ 0 0 78 -3,-1.0 4,-1.0 1,-0.2 -1,-0.2 0.903 114.6 39.9 -62.1 -38.8 -14.2 -10.6 -106.5 6 28 A V H X S+ 0 0 0 -4,-1.0 4,-2.2 -3,-0.2 -2,-0.2 0.905 112.2 54.9 -76.4 -42.2 -13.9 -13.2 -103.7 7 29 A A H X S+ 0 0 1 -4,-3.4 4,-3.4 1,-0.2 5,-0.3 0.904 104.0 56.5 -56.6 -43.1 -17.4 -14.6 -104.2 8 30 A K H X S+ 0 0 156 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.902 109.0 45.7 -55.5 -43.3 -16.6 -15.2 -107.9 9 31 A Q H X S+ 0 0 81 -4,-1.0 4,-2.0 -3,-0.2 -1,-0.2 0.857 113.2 51.1 -69.3 -34.9 -13.6 -17.3 -106.8 10 32 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 108.5 50.0 -67.6 -46.3 -15.8 -19.1 -104.2 11 33 A Q H X S+ 0 0 101 -4,-3.4 4,-0.9 1,-0.2 -1,-0.2 0.884 110.0 52.7 -58.9 -41.0 -18.5 -20.0 -106.8 12 34 A S H >< S+ 0 0 68 -4,-1.7 3,-1.1 -5,-0.3 -1,-0.2 0.947 109.7 46.5 -61.8 -49.8 -15.8 -21.4 -109.0 13 35 A L H >< S+ 0 0 23 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.865 107.1 59.0 -60.9 -36.8 -14.3 -23.6 -106.3 14 36 A A H 3< S+ 0 0 12 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.718 100.6 57.5 -66.2 -20.4 -17.8 -24.8 -105.4 15 37 A G T << S+ 0 0 68 -3,-1.1 2,-0.3 -4,-0.9 -1,-0.3 0.245 104.2 59.1 -95.6 13.8 -18.3 -26.0 -109.0 16 38 A K S < S- 0 0 104 -3,-1.6 3,-0.1 1,-0.0 0, 0.0 -0.904 98.0 -78.0-136.0 164.7 -15.3 -28.4 -108.9 17 39 A G - 0 0 64 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.329 59.1-100.1 -61.2 144.1 -14.1 -31.3 -107.0 18 40 A Y - 0 0 61 169,-0.2 2,-0.8 -4,-0.1 -1,-0.1 -0.446 29.2-139.6 -67.9 135.8 -12.6 -30.3 -103.6 19 41 A E - 0 0 136 -2,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.864 15.4-137.3-101.5 106.5 -8.8 -30.2 -103.6 20 42 A T - 0 0 111 -2,-0.8 166,-0.0 1,-0.1 2,-0.0 -0.387 27.4-114.6 -60.1 128.5 -7.5 -31.6 -100.3 21 43 A P - 0 0 34 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.373 26.8-142.5 -66.9 148.6 -4.7 -29.4 -99.1 22 44 A K - 0 0 153 -3,-0.1 -3,-0.0 -2,-0.0 0, 0.0 -0.957 18.4-113.0-117.7 127.8 -1.3 -31.0 -98.9 23 45 A S - 0 0 63 -2,-0.5 43,-0.2 1,-0.1 42,-0.1 -0.200 24.4-173.6 -54.4 143.5 1.2 -30.3 -96.2 24 46 A N + 0 0 37 41,-1.8 78,-0.2 2,-0.0 -1,-0.1 0.156 45.0 120.0-123.9 13.5 4.3 -28.4 -97.3 25 47 A L - 0 0 39 40,-0.4 75,-0.1 1,-0.1 40,-0.1 -0.689 47.1-158.0 -86.4 127.6 6.2 -28.7 -94.0 26 48 A P 0 0 88 0, 0.0 -1,-0.1 0, 0.0 74,-0.0 0.487 360.0 360.0 -73.9-134.4 9.5 -30.5 -93.9 27 49 A S 0 0 137 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.117 360.0 360.0 -43.2 360.0 10.9 -31.9 -90.7 28 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 29 54 A X 0 0 105 0, 0.0 2,-0.2 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 130.2 9.0 -30.4 -84.6 30 55 A K > - 0 0 152 1,-0.1 4,-1.7 32,-0.0 3,-0.4 -0.484 360.0-122.8 -74.5 143.4 8.8 -30.1 -80.8 31 56 A Y H > S+ 0 0 149 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.866 108.9 61.9 -51.6 -43.5 6.6 -27.3 -79.3 32 57 A A H 4 S+ 0 0 68 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.931 105.1 46.7 -49.6 -52.7 9.5 -25.8 -77.4 33 58 A D H >4 S+ 0 0 38 -3,-0.4 3,-1.8 1,-0.2 4,-0.5 0.905 108.9 55.5 -56.8 -45.8 11.4 -25.1 -80.6 34 59 A Y H >< S+ 0 0 35 -4,-1.7 3,-2.5 1,-0.3 -1,-0.2 0.918 98.1 60.7 -54.4 -47.1 8.3 -23.6 -82.2 35 60 A Q T 3< S+ 0 0 105 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.676 96.6 65.7 -57.3 -12.9 7.8 -21.1 -79.3 36 61 A Q T < S+ 0 0 74 -3,-1.8 2,-0.9 -4,-0.5 -1,-0.3 0.713 78.7 88.0 -82.1 -22.7 11.3 -19.9 -80.4 37 62 A I < + 0 0 22 -3,-2.5 2,-0.4 -4,-0.5 53,-0.2 -0.699 62.3 171.6 -79.8 106.8 10.0 -18.6 -83.8 38 63 A Q E -A 89 0A 98 51,-2.3 51,-2.9 -2,-0.9 2,-0.3 -0.939 36.6-111.1-123.1 145.3 8.9 -15.1 -83.1 39 64 A F E -A 88 0A 20 -2,-0.4 2,-1.1 49,-0.2 49,-0.3 -0.530 33.0-120.6 -72.0 129.8 7.8 -12.3 -85.4 40 65 A N > - 0 0 48 47,-3.3 3,-3.6 -2,-0.3 4,-0.1 -0.623 18.8-152.9 -73.4 101.9 10.3 -9.4 -85.4 41 66 A H G > S+ 0 0 123 -2,-1.1 3,-1.2 1,-0.3 -1,-0.2 0.715 93.2 66.3 -50.2 -22.5 8.1 -6.5 -84.2 42 67 A D G 3 S+ 0 0 134 1,-0.2 -1,-0.3 45,-0.1 -2,-0.1 0.633 96.2 58.9 -74.4 -12.9 10.4 -4.1 -86.2 43 68 A K G < S+ 0 0 90 -3,-3.6 -1,-0.2 44,-0.2 -2,-0.2 0.237 72.1 146.1 -99.7 11.8 9.0 -5.8 -89.3 44 69 A A X - 0 0 7 -3,-1.2 3,-1.9 1,-0.1 2,-0.2 -0.221 58.7-107.7 -52.4 134.2 5.3 -5.1 -88.8 45 70 A Y B 3 S+B 55 0B 45 10,-2.5 10,-1.7 1,-0.3 -1,-0.1 -0.507 106.7 17.2 -67.7 129.2 3.5 -4.5 -92.1 46 71 A W T > S+ 0 0 6 -2,-0.2 3,-1.3 8,-0.2 -1,-0.3 0.530 80.6 132.2 83.4 10.4 2.7 -0.8 -92.4 47 72 A N T < S+ 0 0 71 -3,-1.9 -2,-0.1 1,-0.3 -3,-0.1 0.742 80.1 46.5 -61.8 -19.4 5.3 0.1 -89.7 48 73 A N T 3 S+ 0 0 148 -4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.494 100.6 87.0 -99.1 -7.4 6.4 2.7 -92.3 49 74 A L S < S- 0 0 54 -3,-1.3 2,-1.4 2,-0.1 0, 0.0 -0.614 84.8-114.1 -95.7 155.4 2.9 3.9 -93.2 50 75 A K S S+ 0 0 174 -2,-0.2 -3,-0.1 2,-0.0 -2,-0.1 -0.734 76.7 106.3 -87.3 93.4 0.8 6.6 -91.5 51 76 A T - 0 0 7 -2,-1.4 -2,-0.1 -5,-0.2 123,-0.1 -0.875 69.7-132.6-167.8 135.5 -2.0 4.4 -90.1 52 77 A P S S+ 0 0 31 0, 0.0 2,-0.2 0, 0.0 124,-0.1 0.779 85.8 85.5 -65.7 -24.6 -2.8 3.2 -86.6 53 78 A F + 0 0 0 122,-0.2 2,-0.3 59,-0.1 59,-0.2 -0.558 56.6 179.9 -80.8 142.2 -3.3 -0.4 -87.8 54 79 A K E - C 0 111B 20 57,-2.0 57,-3.2 -2,-0.2 2,-0.4 -0.930 15.2-141.5-135.3 157.5 -0.3 -2.8 -88.2 55 80 A L E +BC 45 110B 0 -10,-1.7 -10,-2.5 -2,-0.3 2,-0.3 -0.956 15.4 179.4-124.8 144.8 0.0 -6.4 -89.3 56 81 A E E - C 0 109B 4 53,-1.7 53,-2.3 -2,-0.4 2,-0.3 -0.908 19.5-131.7-133.9 161.9 2.2 -9.2 -88.0 57 82 A F E - C 0 108B 3 -2,-0.3 2,-0.3 51,-0.2 51,-0.3 -0.862 2.6-131.3-126.1 157.2 2.4 -12.8 -89.2 58 83 A Y E - C 0 107B 44 49,-2.2 48,-2.8 -2,-0.3 49,-0.7 -0.788 24.5-131.7-101.2 144.1 2.4 -16.3 -87.9 59 84 A H E - C 0 105B 11 -2,-0.3 46,-0.1 46,-0.2 5,-0.1 -0.695 22.1-111.9 -97.7 145.3 4.9 -18.9 -88.9 60 85 A Q + 0 0 2 44,-0.6 2,-0.2 -2,-0.3 5,-0.2 -0.238 56.5 118.5 -68.2 162.9 4.1 -22.4 -90.1 61 86 A G B > +L 64 0C 7 3,-1.2 3,-2.0 1,-0.1 2,-0.2 -0.626 58.4 11.0 149.0 152.5 5.1 -25.4 -88.0 62 87 A X T 3 S- 0 0 46 1,-0.3 -1,-0.1 -2,-0.2 -37,-0.1 -0.374 132.0 -6.2 59.7-122.0 3.5 -28.4 -86.1 63 88 A Y T 3 S+ 0 0 167 1,-0.2 2,-1.2 -2,-0.2 -1,-0.3 0.413 116.8 85.4 -87.0 3.3 -0.1 -28.7 -87.0 64 89 A F B < +L 61 0C 36 -3,-2.0 -3,-1.2 1,-0.2 -1,-0.2 -0.574 54.8 147.7 -96.9 65.2 -0.2 -25.5 -89.1 65 90 A D + 0 0 61 -2,-1.2 -41,-1.8 -5,-0.2 -40,-0.4 0.371 51.2 57.8 -86.0 2.8 1.1 -27.6 -92.0 66 91 A T S S- 0 0 31 -43,-0.2 2,-0.1 -3,-0.1 -43,-0.1 -0.991 78.2-131.5-132.5 142.6 -0.6 -25.6 -94.7 67 92 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.393 5.8-137.1 -90.0 168.8 -0.2 -21.9 -95.5 68 93 A V B -D 105 0B 19 37,-2.5 37,-0.6 -2,-0.1 2,-0.5 -0.935 22.5-125.5-119.5 143.5 -2.7 -19.1 -96.1 69 94 A K E -m 165 0D 92 95,-2.8 97,-2.7 -2,-0.4 2,-0.5 -0.800 24.6-161.8 -93.2 133.5 -2.1 -16.6 -98.9 70 95 A I E -m 166 0D 1 -2,-0.5 11,-2.7 11,-0.5 2,-0.3 -0.965 9.0-178.2-121.0 124.8 -2.2 -13.0 -97.8 71 96 A N E -mN 167 80D 10 95,-2.5 97,-2.8 -2,-0.5 2,-0.4 -0.870 19.2-138.9-117.8 151.8 -2.7 -10.0 -100.2 72 97 A E E -mN 168 79D 2 7,-3.8 7,-2.3 -2,-0.3 2,-0.7 -0.887 12.3-149.7-106.7 140.4 -2.7 -6.3 -99.5 73 98 A V E +mN 169 78D 12 95,-2.5 97,-1.6 -2,-0.4 5,-0.2 -0.885 21.7 176.5-115.1 101.0 -5.3 -4.2 -101.4 74 99 A T - 0 0 17 3,-2.0 95,-0.0 -2,-0.7 0, 0.0 -0.173 49.3 -87.7 -87.8-172.6 -4.0 -0.7 -102.0 75 100 A A S S+ 0 0 112 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.765 125.1 21.0 -70.0 -25.9 -5.8 2.1 -103.9 76 101 A T S S+ 0 0 136 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.589 123.5 29.8-117.9 -16.3 -4.4 0.9 -107.3 77 102 A A - 0 0 36 2,-0.0 -3,-2.0 0, 0.0 2,-0.6 -0.898 56.1-129.7-145.4 171.8 -3.4 -2.7 -106.8 78 103 A V E -N 73 0D 74 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.951 36.6-170.9-120.8 101.6 -3.7 -6.1 -105.2 79 104 A K E -N 72 0D 97 -7,-2.3 -7,-3.8 -2,-0.6 2,-0.5 -0.854 21.5-128.5-103.0 131.9 -0.2 -7.0 -104.0 80 105 A R E -N 71 0D 121 -2,-0.5 2,-1.2 -9,-0.3 -9,-0.3 -0.644 19.3-134.7 -76.5 119.4 0.6 -10.5 -102.7 81 106 A I - 0 0 4 -11,-2.7 -11,-0.5 -2,-0.5 -1,-0.1 -0.653 29.0-143.5 -78.8 99.5 2.3 -10.3 -99.3 82 107 A K - 0 0 147 -2,-1.2 2,-0.3 1,-0.1 22,-0.1 -0.290 10.6-114.7 -66.2 144.3 5.2 -12.7 -99.9 83 108 A Y + 0 0 24 20,-0.2 -1,-0.1 22,-0.1 20,-0.0 -0.587 38.6 172.1 -80.0 141.8 6.4 -15.0 -97.1 84 109 A S > - 0 0 31 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.969 39.6-138.3-152.5 133.6 10.0 -14.4 -95.8 85 110 A P G > S+ 0 0 18 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.683 99.1 78.1 -63.6 -15.0 11.9 -15.9 -92.9 86 111 A D G 3 S+ 0 0 116 1,-0.3 -46,-0.1 -47,-0.0 -3,-0.0 0.643 79.4 68.0 -69.2 -14.8 13.3 -12.3 -92.4 87 112 A Y G < S+ 0 0 43 -3,-1.9 -47,-3.3 -48,-0.1 -1,-0.3 0.741 105.3 48.2 -75.1 -21.4 10.0 -11.4 -90.8 88 113 A F E < S-A 39 0A 14 -3,-1.3 2,-0.4 -4,-0.3 -49,-0.2 -0.688 71.7-132.8-119.8 170.8 10.9 -13.6 -87.9 89 114 A T E +A 38 0A 69 -51,-2.9 -51,-2.3 -2,-0.2 -3,-0.0 -0.939 21.2 176.6-115.6 138.6 13.7 -14.5 -85.5 90 115 A F > + 0 0 8 -2,-0.4 3,-1.6 -53,-0.2 2,-0.8 0.616 3.5 178.8-118.1 -23.0 14.3 -18.3 -85.1 91 116 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.2 3,-0.1 -54,-0.1 -0.382 79.3 18.4 57.9-101.3 17.3 -18.5 -82.8 92 117 A D T 3 S+ 0 0 88 -2,-0.8 -1,-0.3 -59,-0.1 2,-0.2 0.619 108.0 88.6 -76.2 -18.4 17.7 -22.3 -82.5 93 118 A V S < S- 0 0 17 -3,-1.6 -3,-0.1 -60,-0.2 -2,-0.0 -0.592 79.4-114.4 -91.4 150.0 15.7 -23.5 -85.5 94 119 A Q + 0 0 138 -2,-0.2 -4,-0.1 1,-0.1 -1,-0.1 0.876 40.4 163.4 -36.7 -81.9 17.0 -24.0 -89.1 95 120 A H + 0 0 72 1,-0.2 2,-0.1 4,-0.1 -1,-0.1 0.805 17.2 174.6 55.1 40.0 15.2 -21.5 -91.3 96 121 A D >> - 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