==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-10 3PNN . COMPND 2 MOLECULE: CONSERVED DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR K.TAN,C.HATZOS-SKINTGES,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTE . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 13.6 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 25 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 1 1 0 0 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 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 PARALLEL BRIDGES PER LADDER . 4 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 A A 0 0 152 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.2 -16.5 49.9 33.2 2 1 A X - 0 0 44 136,-0.1 139,-0.1 1,-0.0 112,-0.0 -0.364 360.0-162.9 -73.2 142.3 -15.7 46.8 31.2 3 2 A K - 0 0 112 -2,-0.1 43,-0.1 112,-0.0 42,-0.1 -0.983 26.7-115.9-119.8 137.5 -13.4 46.7 28.2 4 3 A P - 0 0 0 0, 0.0 43,-3.1 0, 0.0 44,-0.8 -0.260 24.4-116.9 -75.5 161.0 -13.6 43.7 25.9 5 4 A T E -ab 48 116A 0 110,-2.0 112,-2.8 41,-0.2 2,-0.6 -0.739 12.2-141.6 -96.7 140.2 -10.8 41.3 25.3 6 5 A L E -ab 49 117A 0 42,-2.9 44,-2.8 -2,-0.3 2,-0.7 -0.919 16.4-164.5 -99.6 118.8 -9.0 40.7 21.9 7 6 A F E -ab 50 118A 0 110,-2.7 112,-1.9 -2,-0.6 2,-0.5 -0.907 7.1-158.8-108.1 113.3 -8.3 37.0 21.4 8 7 A V E -ab 51 119A 2 42,-3.3 44,-2.2 -2,-0.7 2,-1.4 -0.840 15.1-137.5-101.6 123.4 -5.8 36.5 18.6 9 8 A L E +ab 52 120A 21 110,-2.9 112,-1.0 -2,-0.5 3,-0.2 -0.611 46.3 146.7 -77.3 93.2 -5.5 33.1 16.9 10 9 A A > + 0 0 0 -2,-1.4 3,-1.6 42,-1.3 44,-0.2 0.194 30.4 108.0-114.9 15.0 -1.7 32.8 16.7 11 10 A A T 3 S+ 0 0 6 1,-0.3 3,-0.5 42,-0.2 -1,-0.1 0.715 75.6 58.6 -73.5 -17.7 -1.2 29.1 17.1 12 11 A G T 3 S+ 0 0 46 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.347 78.9 93.2 -90.7 5.8 -0.2 28.7 13.4 13 12 A X < + 0 0 29 -3,-1.6 8,-2.9 7,-0.0 -1,-0.2 0.483 65.3 91.1 -80.7 -6.0 2.7 31.1 13.6 14 13 A G B S-J 20 0B 14 -3,-0.5 6,-0.3 6,-0.2 2,-0.1 -0.535 72.0-126.3 -89.2 157.5 5.4 28.6 14.3 15 14 A S > - 0 0 19 4,-3.1 3,-0.5 -2,-0.2 4,-0.1 -0.211 37.3 -98.3 -81.0-174.7 7.5 26.7 11.8 16 15 A R T 3 S+ 0 0 250 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.222 114.2 56.9 -94.6 19.8 7.7 22.9 11.9 17 16 A Y T 3 S- 0 0 185 2,-0.2 -1,-0.2 39,-0.0 3,-0.1 -0.075 122.3 -78.3-144.2 38.0 11.0 22.9 13.9 18 17 A G S < S+ 0 0 49 -3,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.828 95.4 97.9 76.3 34.8 10.6 24.8 17.1 19 18 A S S S- 0 0 23 -4,-0.1 -4,-3.1 40,-0.1 2,-0.3 -0.950 75.3 -97.8-145.8 165.6 10.8 28.4 15.9 20 19 A L B -J 14 0B 10 -2,-0.3 -6,-0.2 -6,-0.3 3,-0.1 -0.644 47.0-108.0 -81.3 140.5 8.7 31.4 15.0 21 20 A K - 0 0 116 -8,-2.9 -1,-0.1 -2,-0.3 -6,-0.0 -0.344 52.9 -77.3 -61.4 152.8 8.0 31.8 11.2 22 21 A Q - 0 0 190 1,-0.1 2,-0.2 -3,-0.0 -1,-0.2 -0.285 52.3-124.5 -49.5 127.6 9.9 34.7 9.6 23 22 A L - 0 0 68 -3,-0.1 2,-0.7 1,-0.0 -1,-0.1 -0.523 15.3-137.2 -76.7 145.8 8.1 38.0 10.5 24 23 A D - 0 0 62 -2,-0.2 2,-2.3 1,-0.0 9,-0.3 -0.877 7.1-160.1-111.4 102.2 7.0 40.2 7.7 25 24 A G + 0 0 42 -2,-0.7 6,-0.2 1,-0.2 7,-0.2 -0.504 33.9 156.5 -74.4 74.6 7.6 43.9 8.3 26 25 A I + 0 0 5 -2,-2.3 -1,-0.2 5,-0.4 6,-0.2 0.734 38.0 80.9 -86.5 -25.7 5.1 44.7 5.6 27 26 A G S > S- 0 0 6 4,-2.7 3,-1.9 -3,-0.2 257,-0.1 -0.281 96.8 -98.2 -75.2 168.4 4.0 48.2 6.6 28 27 A P T 3 S+ 0 0 59 0, 0.0 271,-0.1 0, 0.0 270,-0.1 0.747 125.4 45.3 -63.3 -23.4 6.1 51.3 5.6 29 28 A G T 3 S- 0 0 25 269,-0.6 -3,-0.1 268,-0.2 270,-0.1 0.310 126.2 -97.6 -99.4 6.9 7.7 51.4 9.1 30 29 A G S < S+ 0 0 43 -3,-1.9 -4,-0.2 1,-0.3 2,-0.2 0.622 74.6 147.5 88.3 13.9 8.4 47.7 9.2 31 30 A D - 0 0 5 267,-0.3 -4,-2.7 -6,-0.2 -5,-0.4 -0.532 42.7-124.0 -81.8 151.2 5.3 46.8 11.2 32 31 A T > - 0 0 15 -7,-0.2 4,-1.5 -6,-0.2 3,-0.2 -0.394 25.3-106.1 -86.6 166.7 3.5 43.4 10.7 33 32 A I H > S+ 0 0 5 -9,-0.3 4,-1.9 1,-0.2 3,-0.3 0.921 123.2 56.7 -57.6 -42.5 -0.2 42.9 9.9 34 33 A X H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 101.4 57.8 -55.1 -40.7 -0.7 41.7 13.5 35 34 A D H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.883 103.2 51.6 -57.4 -44.4 0.7 45.1 14.6 36 35 A Y H X S+ 0 0 0 -4,-1.5 4,-2.5 -3,-0.3 -1,-0.2 0.915 110.0 50.7 -60.0 -40.2 -2.0 47.0 12.6 37 36 A S H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.929 112.3 45.2 -62.5 -46.5 -4.7 44.8 14.3 38 37 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.925 112.1 52.1 -65.1 -44.4 -3.3 45.5 17.8 39 38 A Y H X S+ 0 0 56 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.932 114.3 42.7 -54.9 -48.6 -3.0 49.2 17.1 40 39 A D H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.871 110.8 55.3 -70.5 -33.5 -6.6 49.4 15.9 41 40 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 4,-0.7 0.933 109.6 47.6 -65.0 -41.6 -7.9 47.3 18.8 42 41 A I H ><5S+ 0 0 61 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.954 112.3 48.6 -60.7 -49.1 -6.3 49.6 21.2 43 42 A R H 3<5S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 109.0 55.0 -59.0 -34.2 -7.7 52.7 19.4 44 43 A A H 3<5S- 0 0 19 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.575 123.3-102.2 -79.8 -10.3 -11.2 50.9 19.4 45 44 A G T <<5 + 0 0 20 -3,-1.3 -3,-0.2 -4,-0.7 2,-0.2 0.670 61.1 159.2 100.0 18.8 -11.1 50.5 23.2 46 45 A F < - 0 0 8 -5,-2.4 -1,-0.3 -43,-0.1 -41,-0.2 -0.504 30.2-150.2 -68.6 144.8 -10.2 46.8 23.7 47 46 A G + 0 0 12 -43,-3.1 2,-0.3 1,-0.2 -42,-0.2 0.665 63.2 0.1 -97.1 -20.3 -8.8 46.3 27.2 48 47 A R E -a 5 0A 74 -44,-0.8 -42,-2.9 25,-0.1 2,-0.4 -0.983 60.3-125.3-164.1 158.8 -6.4 43.4 26.9 49 48 A L E -ac 6 75A 1 25,-2.8 27,-1.5 -2,-0.3 2,-0.4 -0.921 15.1-171.6-112.7 138.6 -4.9 40.9 24.4 50 49 A V E -ac 7 76A 2 -44,-2.8 -42,-3.3 -2,-0.4 2,-0.5 -0.999 7.6-165.3-123.9 129.1 -4.8 37.2 24.7 51 50 A F E -ac 8 77A 0 25,-2.7 27,-2.7 -2,-0.4 2,-0.6 -0.954 10.6-151.4-110.0 128.8 -2.7 35.1 22.2 52 51 A V E +ac 9 78A 0 -44,-2.2 -42,-1.3 -2,-0.5 27,-0.2 -0.900 37.3 147.7 -92.6 123.0 -3.2 31.4 21.7 53 52 A I E - c 0 79A 0 25,-2.6 27,-3.0 -2,-0.6 2,-0.3 -0.594 43.8-101.8-130.9-166.9 0.2 30.0 20.6 54 53 A R > - 0 0 63 -44,-0.2 3,-1.5 25,-0.2 4,-0.1 -0.934 23.1-120.7-123.9 155.2 2.1 26.8 21.0 55 54 A H G > S+ 0 0 99 -2,-0.3 3,-1.6 1,-0.3 4,-0.5 0.821 104.7 75.0 -60.8 -30.5 5.0 26.0 23.4 56 55 A S G 3 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.1 -41,-0.1 0.703 112.0 23.8 -58.4 -21.6 7.2 25.1 20.4 57 56 A F G <> S+ 0 0 3 -3,-1.5 4,-2.1 2,-0.1 -1,-0.3 0.135 89.0 111.7-128.9 23.3 7.6 28.8 19.5 58 57 A E H <> S+ 0 0 46 -3,-1.6 4,-2.8 1,-0.2 5,-0.3 0.914 73.7 56.4 -64.7 -44.3 7.0 30.4 22.9 59 58 A K H > S+ 0 0 158 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.937 113.6 38.6 -56.0 -50.2 10.5 31.7 23.4 60 59 A E H >>S+ 0 0 59 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.845 112.3 58.0 -72.2 -31.5 10.7 33.6 20.2 61 60 A F H X>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-2.0 0.945 110.4 44.0 -61.3 -45.2 7.1 34.8 20.5 62 61 A R H <>S+ 0 0 118 -4,-2.8 5,-0.8 3,-0.2 -2,-0.2 0.925 118.8 44.5 -63.6 -42.9 8.0 36.4 23.8 63 62 A E H <5S+ 0 0 95 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.908 126.6 24.6 -68.4 -45.2 11.2 37.8 22.4 64 63 A K H <5S+ 0 0 100 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.701 133.4 24.0-100.4 -24.3 10.0 39.2 19.1 65 64 A I T >X> - 0 0 51 -2,-0.7 3,-1.6 -27,-0.1 18,-0.1 -0.917 44.2-120.9-123.7 153.9 -1.5 21.5 22.6 82 81 A L T 3 S+ 0 0 58 -2,-0.3 -1,-0.1 1,-0.3 15,-0.0 0.799 111.3 52.9 -59.8 -31.7 -2.6 18.1 21.1 83 82 A D T 3 S+ 0 0 122 1,-0.1 2,-1.8 8,-0.1 -1,-0.3 0.382 75.8 105.9 -91.1 4.0 -3.2 16.6 24.6 84 83 A R < + 0 0 118 -3,-1.6 -1,-0.1 6,-0.0 6,-0.1 -0.567 53.3 139.0 -83.4 76.7 -5.4 19.5 25.8 85 84 A L - 0 0 22 -2,-1.8 3,-0.1 4,-0.2 6,-0.1 -0.793 60.2 -78.9-121.0 159.6 -8.7 17.4 25.6 86 85 A P > - 0 0 9 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.214 65.6 -81.3 -57.0 146.3 -11.8 17.1 27.7 87 86 A E T 3 S+ 0 0 201 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.235 120.8 32.8 -48.8 129.1 -11.4 14.8 30.7 88 87 A G T 3 S+ 0 0 82 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.148 98.5 98.7 107.5 -18.3 -11.9 11.2 29.6 89 88 A F < - 0 0 58 -3,-2.3 2,-0.3 -6,-0.1 -1,-0.3 -0.832 51.5-163.7-105.0 140.7 -10.3 11.7 26.1 90 89 A S - 0 0 105 -2,-0.4 3,-0.1 -3,-0.1 -7,-0.1 -0.894 29.2-106.5-116.9 152.8 -6.8 10.8 25.1 91 90 A C - 0 0 41 -2,-0.3 -8,-0.1 1,-0.1 148,-0.1 -0.670 44.0-109.5 -78.0 124.6 -4.9 11.9 22.0 92 91 A P > - 0 0 23 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.071 25.1-114.1 -52.2 152.4 -4.6 9.1 19.4 93 92 A E T 3 S+ 0 0 199 1,-0.2 -2,-0.1 -3,-0.1 0, 0.0 0.892 112.3 39.0 -57.2 -46.2 -1.1 7.6 18.9 94 93 A G T 3 S+ 0 0 68 145,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.542 85.6 121.2 -86.9 -7.3 -0.7 8.8 15.3 95 94 A R < + 0 0 18 -3,-0.7 147,-0.1 1,-0.2 -13,-0.1 -0.356 14.9 144.2 -65.5 128.3 -2.2 12.2 15.6 96 95 A E + 0 0 163 145,-0.4 -1,-0.2 -2,-0.1 -14,-0.1 0.540 43.0 94.7-130.7 -29.6 0.0 15.2 14.7 97 96 A K S S- 0 0 69 144,-0.5 146,-0.0 1,-0.1 -1,-0.0 -0.502 83.7-106.9 -71.8 130.6 -2.3 17.7 13.1 98 97 A P - 0 0 40 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.223 28.7-114.2 -57.0 149.9 -3.7 20.4 15.5 99 98 A W - 0 0 1 1,-0.2 146,-3.1 145,-0.1 2,-0.2 0.640 61.9 -98.6 -66.9 -19.6 -7.3 19.9 16.4 100 99 A G >> - 0 0 6 144,-0.3 4,-2.1 1,-0.1 3,-0.7 -0.499 41.4 -58.5 125.7 170.8 -8.5 23.1 14.6 101 100 A T H 3> S+ 0 0 41 1,-0.3 4,-1.9 2,-0.2 145,-0.2 0.800 127.5 50.7 -59.7 -35.0 -9.4 26.8 15.2 102 101 A N H 3> S+ 0 0 0 143,-2.3 4,-1.7 2,-0.2 -1,-0.3 0.785 108.2 53.6 -78.7 -21.1 -12.2 26.2 17.7 103 102 A H H <> S+ 0 0 0 142,-0.8 4,-0.8 -3,-0.7 -2,-0.2 0.906 107.6 51.8 -70.7 -41.3 -9.9 24.0 19.7 104 103 A A H >< S+ 0 0 4 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.907 107.6 52.6 -55.6 -43.4 -7.5 26.9 19.8 105 104 A V H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.913 100.2 61.3 -59.8 -43.8 -10.4 29.1 21.0 106 105 A L H >< S+ 0 0 8 -4,-1.7 3,-1.6 1,-0.3 -1,-0.2 0.763 89.6 71.8 -54.7 -25.3 -11.1 26.7 23.9 107 106 A X T << S+ 0 0 19 -3,-0.9 3,-0.4 -4,-0.8 -1,-0.3 0.744 92.5 56.9 -65.2 -20.9 -7.5 27.4 25.1 108 107 A G T <> S+ 0 0 0 -3,-2.2 4,-2.1 -4,-0.3 -1,-0.3 0.414 75.0 106.1 -87.1 3.5 -8.7 30.8 26.2 109 108 A R T <4 S+ 0 0 57 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.794 83.6 36.9 -62.0 -35.9 -11.5 29.6 28.5 110 109 A D T 4 S+ 0 0 137 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.1 0.793 119.0 48.9 -85.2 -26.8 -9.9 30.2 31.9 111 110 A A T 4 S+ 0 0 26 -4,-0.2 2,-0.6 -3,-0.2 -2,-0.2 0.748 102.4 64.9 -83.4 -26.1 -8.2 33.5 30.9 112 111 A I < + 0 0 0 -4,-2.1 -1,-0.1 1,-0.1 4,-0.1 -0.879 46.2 155.1-110.6 114.7 -11.2 35.2 29.3 113 112 A R + 0 0 142 -2,-0.6 -1,-0.1 2,-0.1 -4,-0.0 -0.066 59.9 55.5-128.0 33.1 -14.1 36.1 31.5 114 113 A E S S- 0 0 38 27,-0.1 104,-0.1 104,-0.0 -109,-0.1 -0.910 103.6 -58.7-150.6 170.7 -15.7 39.0 29.6 115 114 A P - 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