==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-MAR-09 3GKM . COMPND 2 MOLECULE: BACTERIOFERRITIN COMIGRATORY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR S.-J.LIAO . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 17.8 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 1 1 0 0 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 3 A D 0 0 185 0, 0.0 2,-0.3 0, 0.0 130,-0.0 0.000 360.0 360.0 360.0 174.6 16.7 1.2 24.3 2 4 A A - 0 0 25 1,-0.1 131,-0.2 132,-0.0 3,-0.1 -0.574 360.0-168.6 -80.4 138.0 15.3 3.3 21.4 3 5 A V S S+ 0 0 89 129,-2.7 2,-0.3 1,-0.3 130,-0.1 0.487 81.0 31.2-100.3 -7.4 16.8 2.9 18.0 4 6 A L B S-A 132 0A 40 128,-0.8 128,-0.6 130,-0.0 2,-0.6 -0.971 71.0-145.6-151.7 132.3 15.0 6.0 16.7 5 7 A E - 0 0 156 -2,-0.3 126,-0.1 -3,-0.1 3,-0.0 -0.903 19.7-155.6-103.2 119.7 13.8 9.2 18.5 6 8 A L - 0 0 19 -2,-0.6 97,-0.1 1,-0.1 5,-0.1 -0.665 28.6 -98.4 -93.9 147.5 10.5 10.5 17.2 7 9 A P >> - 0 0 76 0, 0.0 3,-2.0 0, 0.0 4,-0.5 -0.402 36.0-119.8 -61.2 140.5 9.5 14.2 17.5 8 10 A A G >4 S+ 0 0 83 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.850 112.5 60.8 -50.2 -39.2 7.2 14.5 20.6 9 11 A A G >> S+ 0 0 68 1,-0.2 3,-1.6 2,-0.2 4,-0.5 0.746 86.4 77.2 -62.3 -23.6 4.4 15.8 18.3 10 12 A T G X4 S+ 0 0 5 -3,-2.0 3,-1.2 1,-0.3 15,-0.4 0.881 87.5 58.3 -54.0 -40.9 4.5 12.5 16.4 11 13 A F G << S+ 0 0 46 -3,-1.1 15,-2.2 -4,-0.5 16,-0.3 0.638 108.9 43.7 -67.3 -16.3 2.6 10.7 19.1 12 14 A D G <4 S+ 0 0 102 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.340 80.1 125.5-110.5 4.8 -0.4 13.1 18.9 13 15 A L << - 0 0 47 -3,-1.2 2,-0.6 -4,-0.5 12,-0.3 -0.440 67.7-119.8 -64.1 130.7 -0.7 13.3 15.1 14 16 A P - 0 0 98 0, 0.0 2,-0.7 0, 0.0 10,-0.2 -0.653 29.3-155.6 -75.9 118.7 -4.3 12.3 14.1 15 17 A L E -B 23 0A 4 8,-3.2 8,-1.5 -2,-0.6 2,-0.3 -0.870 8.6-137.1-102.7 114.1 -3.9 9.3 11.9 16 18 A S E -BC 22 93A 46 -2,-0.7 77,-3.4 77,-0.5 2,-0.3 -0.508 26.6-160.0 -69.2 126.5 -6.7 8.7 9.4 17 19 A L E > - C 0 92A 12 4,-3.0 3,-1.9 -2,-0.3 75,-0.2 -0.750 27.0 -96.6-111.8 157.1 -7.7 5.0 9.3 18 20 A S T 3 S+ 0 0 17 73,-1.7 3,-0.4 -2,-0.3 58,-0.1 -0.415 113.6 44.9 -60.0 143.4 -9.5 2.8 6.8 19 21 A G T 3 S- 0 0 64 56,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.236 125.3 -86.9 101.7 -16.5 -13.1 2.7 8.2 20 22 A G S < S+ 0 0 49 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.387 93.3 108.7 97.7 -4.8 -13.3 6.4 8.8 21 23 A T - 0 0 84 -3,-0.4 -4,-3.0 -4,-0.1 -1,-0.3 -0.419 55.2-134.6 -98.3 176.2 -11.9 6.7 12.3 22 24 A Q E -B 16 0A 118 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.882 18.1-179.0-126.9 161.1 -8.6 8.2 13.6 23 25 A T E -B 15 0A 21 -8,-1.5 -8,-3.2 -2,-0.3 2,-0.3 -0.870 12.5-147.2-145.8 175.4 -6.0 7.0 16.0 24 26 A T > - 0 0 36 -2,-0.3 4,-0.5 -10,-0.2 3,-0.2 -0.958 29.0-115.7-143.9 157.6 -2.7 8.3 17.4 25 27 A L T >4 S+ 0 0 4 -15,-0.4 3,-1.3 -2,-0.3 -13,-0.1 0.883 116.8 57.3 -64.1 -36.0 0.4 6.5 18.6 26 28 A R G >4 S+ 0 0 165 -15,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.853 97.3 62.4 -61.9 -34.3 -0.2 7.7 22.1 27 29 A A G 34 S+ 0 0 71 -16,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.722 96.1 61.2 -63.9 -20.3 -3.6 6.1 22.1 28 30 A H G X< S+ 0 0 29 -3,-1.3 3,-1.3 -4,-0.5 -1,-0.3 0.289 74.7 136.6 -90.4 10.3 -1.8 2.7 21.6 29 31 A A T < + 0 0 61 -3,-1.8 100,-0.2 1,-0.2 3,-0.1 -0.270 57.0 41.3 -57.1 139.8 0.0 3.1 25.0 30 32 A G T 3 S+ 0 0 64 98,-2.3 2,-0.3 1,-0.2 -1,-0.2 0.271 108.3 54.6 107.0 -13.6 0.1 -0.2 26.9 31 33 A H S < S- 0 0 52 -3,-1.3 -1,-0.2 97,-0.2 99,-0.2 -0.963 88.3 -86.9-147.8 164.4 0.7 -2.7 24.2 32 34 A W - 0 0 35 31,-0.4 34,-2.2 -2,-0.3 2,-0.4 -0.461 38.8-161.3 -72.7 144.8 3.2 -3.5 21.4 33 35 A L E -dE 66 126A 1 93,-2.4 93,-3.1 32,-0.2 2,-0.6 -0.990 8.9-157.4-133.6 125.6 2.5 -1.8 18.0 34 36 A V E -dE 67 125A 0 32,-2.9 34,-2.4 -2,-0.4 2,-0.6 -0.897 11.0-169.8-100.3 124.5 3.9 -2.9 14.7 35 37 A I E -dE 68 124A 1 89,-2.6 89,-2.3 -2,-0.6 2,-0.5 -0.952 4.5-174.8-117.4 110.6 3.9 -0.1 12.1 36 38 A Y E -dE 69 123A 0 32,-2.6 34,-2.5 -2,-0.6 2,-0.4 -0.931 8.8-155.7-113.0 126.4 4.7 -1.2 8.6 37 39 A F E +dE 70 122A 0 85,-3.8 85,-1.2 -2,-0.5 34,-0.2 -0.813 14.4 177.5 -98.2 134.5 5.2 1.3 5.8 38 40 A Y - 0 0 0 32,-2.8 34,-0.2 -2,-0.4 3,-0.1 -0.971 31.8-124.6-134.9 151.5 4.6 0.4 2.2 39 41 A P S S+ 0 0 49 0, 0.0 33,-0.5 0, 0.0 2,-0.3 0.899 81.2 2.3 -61.3 -48.5 4.7 2.4 -1.0 40 42 A K > - 0 0 111 31,-0.1 3,-0.9 32,-0.1 6,-0.2 -0.997 69.3-108.0-151.9 142.8 1.3 1.9 -2.6 41 43 A D T 3 S+ 0 0 8 -2,-0.3 6,-0.1 1,-0.2 37,-0.1 -0.275 96.4 12.3 -63.6 148.8 -2.0 0.1 -2.1 42 44 A S T 3 S+ 0 0 75 1,-0.2 -1,-0.2 4,-0.1 3,-0.0 0.668 87.2 133.5 58.8 26.1 -2.9 -2.9 -4.2 43 45 A T <> - 0 0 43 -3,-0.9 4,-2.3 1,-0.1 5,-0.3 -0.640 69.0-106.9 -98.4 162.3 0.5 -3.6 -5.7 44 46 A P H > S+ 0 0 112 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.945 116.9 42.7 -54.0 -52.4 2.0 -7.2 -5.8 45 47 A G H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.913 117.5 44.2 -62.3 -45.6 4.6 -6.5 -3.1 46 48 A S H > S+ 0 0 0 -6,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.772 112.9 52.0 -72.6 -26.0 2.3 -4.6 -0.7 47 49 A T H X S+ 0 0 23 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.917 110.9 48.4 -73.5 -43.4 -0.5 -7.0 -1.1 48 50 A T H X S+ 0 0 67 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.937 113.1 47.7 -60.1 -47.1 1.8 -9.9 -0.3 49 51 A E H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.935 113.3 47.6 -60.8 -46.7 3.1 -8.0 2.8 50 52 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.912 113.0 47.6 -61.6 -44.0 -0.4 -7.1 4.0 51 53 A L H X S+ 0 0 66 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.860 109.3 55.2 -66.2 -34.7 -1.7 -10.7 3.5 52 54 A D H X S+ 0 0 57 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.939 111.1 43.2 -63.5 -47.8 1.4 -12.1 5.3 53 55 A F H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.912 112.5 54.5 -64.0 -39.9 0.7 -9.9 8.4 54 56 A N H >< S+ 0 0 34 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.892 105.1 52.4 -61.6 -40.2 -3.0 -10.7 8.2 55 57 A A H 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.762 112.2 47.1 -67.5 -24.0 -2.4 -14.5 8.2 56 58 A L T XX S+ 0 0 28 -4,-1.0 4,-1.7 -3,-0.5 3,-1.1 0.368 77.5 110.7 -97.8 3.3 -0.2 -14.0 11.4 57 59 A L H <> S+ 0 0 24 -3,-1.1 4,-2.7 -4,-0.4 5,-0.2 0.862 73.8 55.4 -47.7 -46.1 -2.7 -11.8 13.2 58 60 A P H 3> S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.874 106.6 52.1 -58.4 -34.2 -3.6 -14.5 15.8 59 61 A E H <> S+ 0 0 64 -3,-1.1 4,-0.8 2,-0.2 -2,-0.2 0.894 110.6 47.0 -68.1 -39.0 0.2 -14.7 16.7 60 62 A F H ><>S+ 0 0 0 -4,-1.7 5,-2.0 1,-0.2 3,-0.6 0.878 109.5 54.9 -69.1 -35.1 0.3 -11.0 17.2 61 63 A D H ><5S+ 0 0 85 -4,-2.7 3,-2.2 1,-0.2 -2,-0.2 0.897 98.5 62.0 -63.1 -40.7 -2.8 -11.2 19.3 62 64 A K H 3<5S+ 0 0 155 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.813 108.2 43.9 -54.9 -30.1 -1.2 -13.7 21.5 63 65 A A T <<5S- 0 0 36 -4,-0.8 -31,-0.4 -3,-0.6 -1,-0.3 0.412 115.3-118.7 -94.5 0.4 1.4 -11.0 22.4 64 66 A G T < 5 + 0 0 37 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.549 66.6 147.0 73.6 6.4 -1.4 -8.4 22.7 65 67 A A < - 0 0 1 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.342 37.2-148.9 -76.2 154.9 0.3 -6.5 19.9 66 68 A K E -d 33 0A 104 -34,-2.2 -32,-2.9 -3,-0.1 2,-0.4 -0.882 7.5-142.2-121.4 153.8 -1.5 -4.5 17.3 67 69 A I E -d 34 0A 5 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.2 -0.940 13.1-174.8-121.1 142.1 -0.6 -3.9 13.6 68 70 A L E -d 35 0A 3 -34,-2.4 -32,-2.6 -2,-0.4 2,-0.3 -0.992 10.6-155.5-135.2 125.1 -0.9 -0.7 11.5 69 71 A G E -df 36 91A 0 21,-2.1 23,-3.7 -2,-0.4 2,-0.4 -0.771 17.4-161.9 -95.6 146.7 -0.1 -0.6 7.8 70 72 A V E +df 37 92A 0 -34,-2.5 -32,-2.8 -2,-0.3 2,-0.3 -0.992 25.1 137.9-138.8 134.1 0.8 2.8 6.4 71 73 A S E - f 0 93A 0 21,-1.7 23,-2.5 -2,-0.4 -31,-0.1 -0.900 57.0-106.8-153.5 175.1 1.0 4.4 2.9 72 74 A R S S+ 0 0 123 -33,-0.5 21,-0.1 -2,-0.3 -32,-0.1 0.314 77.0 121.5 -95.1 11.8 0.0 7.8 1.6 73 75 A D - 0 0 7 19,-0.2 -2,-0.2 1,-0.1 22,-0.2 -0.283 69.4 -92.4 -70.2 158.9 -3.0 6.5 -0.3 74 76 A S > - 0 0 64 1,-0.1 4,-2.5 20,-0.1 5,-0.2 -0.119 28.3-111.1 -68.5 165.9 -6.5 7.8 0.5 75 77 A V H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 -56,-0.2 0.911 120.8 53.6 -63.8 -40.6 -8.9 6.4 3.0 76 78 A K H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 109.1 47.6 -59.6 -45.5 -11.1 5.3 0.1 77 79 A S H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 112.7 49.5 -60.9 -45.4 -8.2 3.5 -1.5 78 80 A H H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.890 108.8 52.9 -60.8 -41.4 -7.4 1.9 1.8 79 81 A D H X S+ 0 0 64 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.930 112.3 44.1 -61.2 -45.7 -11.1 0.8 2.2 80 82 A N H X S+ 0 0 103 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.916 115.7 48.0 -65.1 -43.1 -11.1 -0.9 -1.2 81 83 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.949 114.4 45.6 -61.8 -51.7 -7.8 -2.5 -0.6 82 84 A S H X>S+ 0 0 22 -4,-3.2 4,-1.5 1,-0.2 5,-1.3 0.876 114.6 47.7 -61.4 -40.6 -8.7 -3.8 2.9 83 85 A A H <5S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.908 113.0 47.9 -69.0 -41.8 -12.1 -5.0 1.7 84 86 A K H <5S+ 0 0 166 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 121.0 36.0 -66.1 -41.0 -10.7 -6.8 -1.3 85 87 A Q H <5S- 0 0 56 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.612 104.9-124.2 -89.3 -14.3 -7.9 -8.5 0.7 86 88 A G T <5 - 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