==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-JUL-13 4LXU . COMPND 2 MOLECULE: WLARD, A SUGAR 3N-FORMYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR J.B.THODEN,M.-F.GONEAU,M.GILBERT,H.M.HOLDEN . 549 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 14.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 53 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 1 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 PARALLEL BRIDGES PER LADDER . 4 2 2 4 0 2 2 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 . 4 0 2 0 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 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 G 0 0 106 0, 0.0 71,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-167.1 -38.1 -18.4 2.6 2 0 A H - 0 0 91 69,-0.7 68,-0.0 2,-0.3 29,-0.0 -0.369 360.0-122.7 -90.5 158.8 -38.1 -15.0 1.0 3 1 A M S S+ 0 0 129 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.948 101.1 76.8 -52.7 -45.6 -36.3 -13.6 -2.0 4 2 A I + 0 0 24 1,-0.2 -2,-0.3 28,-0.0 28,-0.2 -0.526 54.5 167.6 -74.3 121.9 -34.9 -11.0 0.4 5 3 A K + 0 0 78 26,-2.7 69,-2.2 -2,-0.4 2,-0.3 0.703 59.4 21.4-103.2 -29.1 -32.0 -12.5 2.5 6 4 A I E -ab 32 74A 0 25,-1.7 27,-2.1 67,-0.2 2,-0.5 -0.999 50.9-156.9-150.5 142.3 -30.4 -9.5 4.2 7 5 A C E -ab 33 75A 0 67,-3.0 69,-2.7 -2,-0.3 2,-0.6 -0.989 11.0-159.2-119.4 125.8 -31.1 -5.9 5.2 8 6 A I E -ab 34 76A 0 25,-2.2 27,-2.0 -2,-0.5 2,-0.4 -0.943 16.6-176.8 -99.9 121.4 -28.1 -3.5 5.6 9 7 A A E +ab 35 77A 0 67,-2.6 69,-2.8 -2,-0.6 71,-0.4 -0.981 37.7 40.0-123.4 128.9 -29.2 -0.6 7.8 10 8 A G E -ab 36 78A 0 25,-2.1 27,-0.9 -2,-0.4 2,-0.3 -0.994 66.7 -88.8 141.1-148.8 -26.9 2.4 8.6 11 9 A K > + 0 0 42 67,-2.2 4,-1.2 -2,-0.4 3,-0.2 -0.953 56.4 43.3-158.3 171.9 -24.4 4.7 7.2 12 10 A N H > S- 0 0 21 36,-0.6 4,-2.4 -2,-0.3 3,-0.3 0.020 95.5 -45.7 70.7-175.5 -20.8 5.6 6.3 13 11 A N H > S+ 0 0 39 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.793 132.0 59.6 -68.2 -27.1 -17.9 3.6 4.9 14 12 A I H > S+ 0 0 1 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.956 112.4 39.4 -62.9 -43.2 -18.5 0.7 7.2 15 13 A A H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.917 119.4 45.9 -70.6 -47.5 -22.1 0.2 5.8 16 14 A V H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.956 116.9 43.2 -64.5 -45.7 -21.1 0.9 2.2 17 15 A N H X S+ 0 0 26 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.857 114.6 49.9 -73.6 -32.6 -18.0 -1.3 2.2 18 16 A S H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.921 112.1 48.1 -71.8 -37.8 -19.8 -4.1 4.0 19 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.918 110.5 51.6 -63.2 -43.7 -22.7 -4.0 1.5 20 18 A Q H X S+ 0 0 91 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.908 108.6 52.8 -59.3 -38.6 -20.2 -3.9 -1.4 21 19 A F H X S+ 0 0 50 -4,-1.9 4,-2.0 1,-0.2 5,-0.3 0.924 111.0 44.5 -69.8 -41.2 -18.6 -7.0 0.1 22 20 A I H X>S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-2.2 0.921 112.5 52.0 -69.8 -33.7 -21.8 -9.0 0.4 23 21 A L H <5S+ 0 0 38 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.860 116.5 41.5 -65.2 -36.4 -22.9 -7.9 -3.2 24 22 A K H <5S+ 0 0 171 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.842 131.6 20.1 -78.3 -31.2 -19.5 -9.1 -4.5 25 23 A N H <5S+ 0 0 77 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.605 131.0 12.1-119.1 -23.9 -19.3 -12.4 -2.4 26 24 A Y T <5S+ 0 0 81 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.711 108.5 28.8-130.1 -54.5 -22.6 -13.6 -1.1 27 25 A F < - 0 0 24 -5,-2.2 -1,-0.3 2,-0.0 2,-0.1 -0.921 60.0-128.7-128.7 145.7 -25.9 -12.1 -2.4 28 26 A E > - 0 0 136 -2,-0.3 3,-2.1 -3,-0.1 4,-0.3 -0.469 40.7 -97.6 -85.8 162.8 -27.3 -10.4 -5.5 29 27 A A G > S+ 0 0 19 1,-0.3 3,-1.8 2,-0.2 31,-0.4 0.853 122.0 57.9 -46.0 -43.7 -29.1 -7.1 -5.5 30 28 A D G 3 S+ 0 0 100 1,-0.3 -1,-0.3 29,-0.1 29,-0.0 0.660 103.4 55.2 -69.4 -12.1 -32.5 -8.6 -5.5 31 29 A Q G < S+ 0 0 56 -3,-2.1 -26,-2.7 -27,-0.1 -25,-1.7 0.369 102.6 68.4 -94.1 -1.8 -31.7 -10.5 -2.3 32 30 A I E < -a 6 0A 1 -3,-1.8 28,-0.7 -4,-0.3 2,-0.3 -0.946 54.0-174.7-125.8 143.5 -30.7 -7.3 -0.4 33 31 A V E -ac 7 60A 7 -27,-2.1 -25,-2.2 -2,-0.4 2,-0.4 -0.925 13.8-148.3-131.9 157.4 -32.6 -4.3 0.9 34 32 A V E -ac 8 61A 0 26,-2.3 28,-2.5 -2,-0.3 -25,-0.2 -0.980 12.4-165.2-131.2 139.7 -31.2 -1.2 2.6 35 33 A I E -a 9 0A 6 -27,-2.0 -25,-2.1 -2,-0.4 28,-0.1 -0.930 20.8-159.7-119.4 100.5 -32.4 1.2 5.3 36 34 A P E -a 10 0A 20 0, 0.0 -25,-0.2 0, 0.0 2,-0.1 -0.313 29.3 -92.9 -71.2 161.5 -30.3 4.4 5.3 37 35 A N > - 0 0 7 -27,-0.9 3,-1.8 1,-0.1 14,-0.1 -0.364 38.8-105.7 -68.5 157.5 -30.1 6.7 8.2 38 36 A K T 3 S+ 0 0 193 1,-0.3 -1,-0.1 -3,-0.1 44,-0.0 0.842 118.0 50.9 -55.2 -34.0 -32.5 9.6 8.3 39 37 A N T 3 S+ 0 0 95 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.337 74.0 127.9 -90.2 7.0 -29.8 12.1 7.5 40 38 A D < - 0 0 27 -3,-1.8 9,-0.0 1,-0.2 -29,-0.0 -0.495 41.0-165.7 -72.3 124.0 -28.4 10.4 4.4 41 39 A K - 0 0 169 -2,-0.4 -1,-0.2 2,-0.3 3,-0.1 0.478 36.5-115.5 -93.6 1.1 -28.3 13.0 1.7 42 40 A G S S+ 0 0 25 1,-0.3 2,-0.3 6,-0.0 -2,-0.1 0.671 85.7 91.9 79.1 14.1 -27.8 10.6 -1.2 43 41 A I S S- 0 0 111 5,-0.0 -1,-0.3 9,-0.0 -2,-0.3 -0.945 81.2-105.1-134.3 152.9 -24.4 12.1 -2.0 44 42 A D + 0 0 80 -2,-0.3 4,-0.2 4,-0.1 2,-0.1 -0.593 46.7 156.6 -75.0 142.0 -20.9 11.2 -1.0 45 43 A S S S- 0 0 92 2,-2.8 -1,-0.1 -2,-0.3 4,-0.1 -0.153 73.6 -34.3-133.3-130.4 -19.3 13.6 1.6 46 44 A W S S+ 0 0 80 -2,-0.1 2,-0.3 2,-0.1 -2,-0.1 0.610 142.1 32.9 -78.3 -10.0 -16.4 12.9 4.0 47 45 A Q S S- 0 0 11 -35,-0.1 -2,-2.8 -34,-0.0 -35,-0.1 -0.975 101.0 -99.8-125.6 160.7 -18.0 9.4 4.1 48 46 A K - 0 0 68 -2,-0.3 -36,-0.6 -4,-0.2 2,-0.5 -0.354 37.1-111.8 -74.8 150.3 -19.8 7.6 1.3 49 47 A S > - 0 0 5 1,-0.2 4,-2.1 -38,-0.1 5,-0.1 -0.750 14.4-160.1 -84.6 123.8 -23.6 7.5 1.1 50 48 A L H > S+ 0 0 0 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.890 96.1 54.3 -62.9 -45.2 -25.3 4.2 1.7 51 49 A L H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.953 109.7 47.0 -56.2 -46.2 -28.4 5.5 -0.0 52 50 A K H > S+ 0 0 73 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.913 111.7 49.9 -62.3 -50.4 -26.4 6.4 -3.1 53 51 A F H X S+ 0 0 28 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.947 112.0 48.6 -57.2 -43.1 -24.6 3.1 -3.3 54 52 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 3,-0.6 0.951 113.8 45.0 -62.4 -48.9 -27.8 1.2 -3.0 55 53 A L H ><5S+ 0 0 106 -4,-2.6 3,-1.6 1,-0.3 -1,-0.2 0.929 111.6 53.1 -63.3 -39.0 -29.5 3.2 -5.7 56 54 A D H 3<5S+ 0 0 103 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.778 113.5 44.4 -65.7 -24.8 -26.5 2.9 -8.0 57 55 A N T <<5S- 0 0 63 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.135 116.3-109.6-109.5 18.7 -26.5 -0.9 -7.6 58 56 A N T < 5 + 0 0 122 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.789 66.4 148.9 58.3 35.9 -30.3 -1.4 -8.0 59 57 A I < - 0 0 4 -5,-2.7 -1,-0.2 -6,-0.2 -26,-0.1 -0.860 49.4-114.2 -95.5 130.5 -30.9 -2.3 -4.3 60 58 A K E -c 33 0A 136 -28,-0.7 -26,-2.3 -2,-0.4 2,-0.5 -0.422 17.7-136.8 -69.2 139.3 -34.3 -1.4 -3.0 61 59 A I E +c 34 0A 56 -28,-0.2 2,-0.2 -2,-0.1 -26,-0.2 -0.803 35.7 173.7 -91.0 125.9 -34.5 1.3 -0.2 62 60 A V - 0 0 12 -28,-2.5 2,-0.3 -2,-0.5 3,-0.0 -0.762 27.9-122.8-127.1 172.1 -37.0 0.1 2.4 63 61 A T > - 0 0 70 -2,-0.2 3,-0.6 -28,-0.1 4,-0.4 -0.725 34.6-107.1-106.7 166.0 -38.4 1.1 5.8 64 62 A L G >> S+ 0 0 10 -2,-0.3 3,-2.0 1,-0.2 4,-1.2 0.905 120.5 59.7 -55.1 -45.3 -38.4 -1.0 9.0 65 63 A D G 34 S+ 0 0 120 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.831 100.9 56.3 -56.4 -33.6 -42.1 -1.6 8.6 66 64 A E G <4 S+ 0 0 105 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.577 112.4 39.5 -74.6 -13.1 -41.4 -3.2 5.2 67 65 A I T X4 S+ 0 0 1 -3,-2.0 3,-1.8 -4,-0.4 -1,-0.2 0.542 86.0 91.4-113.6 -11.6 -39.1 -5.8 6.5 68 66 A Y T 3< S+ 0 0 33 -4,-1.2 22,-2.8 1,-0.3 23,-0.4 0.867 91.6 45.6 -56.6 -34.9 -40.7 -6.9 9.8 69 67 A N T 3 S+ 0 0 117 -4,-0.4 2,-0.8 20,-0.2 -1,-0.3 0.340 81.3 114.2 -93.8 9.5 -42.7 -9.7 8.2 70 68 A I X - 0 0 17 -3,-1.8 3,-1.5 1,-0.1 21,-0.4 -0.667 68.2-128.1 -85.3 112.4 -39.9 -11.2 6.1 71 69 A E T 3 S- 0 0 114 -2,-0.8 -69,-0.7 1,-0.3 -2,-0.1 -0.305 81.1 -3.0 -60.8 134.6 -39.1 -14.6 7.4 72 70 A Q T 3 S+ 0 0 102 1,-0.2 -1,-0.3 -71,-0.1 -2,-0.0 0.510 85.9 159.6 65.8 12.9 -35.5 -15.4 8.3 73 71 A I < - 0 0 0 -3,-1.5 2,-0.6 -6,-0.2 20,-0.5 -0.291 40.6-129.1 -66.8 143.4 -34.1 -12.1 7.1 74 72 A I E -bd 6 93A 2 -69,-2.2 -67,-3.0 18,-0.1 2,-0.6 -0.876 21.3-160.7 -88.9 118.1 -30.7 -11.1 8.4 75 73 A F E -bd 7 94A 0 18,-2.9 20,-2.8 -2,-0.6 2,-0.5 -0.942 10.7-175.5-101.3 122.0 -31.0 -7.6 9.8 76 74 A F E -bd 8 95A 1 -69,-2.7 -67,-2.6 -2,-0.6 2,-0.5 -0.957 10.7-158.8-124.7 111.7 -27.6 -6.0 10.1 77 75 A S E +bd 9 96A 2 18,-3.0 20,-1.3 -2,-0.5 2,-0.4 -0.780 12.3 176.6 -87.8 126.2 -27.1 -2.5 11.7 78 76 A L E S-bd 10 97A 0 -69,-2.8 -67,-2.2 -2,-0.5 -63,-0.2 -0.852 85.3 -30.3-128.9 89.5 -23.8 -0.7 10.8 79 77 A E S S+ 0 0 48 18,-0.5 -69,-0.2 -2,-0.4 2,-0.1 0.746 90.8 176.0 64.0 31.6 -24.2 2.6 12.5 80 78 A F - 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