==== 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 NUCLEOTIDE BINDING PROTEIN 04-DEC-07 3BJO . COMPND 2 MOLECULE: UNCHARACTERIZED ATP-BINDING PROTEIN MJ1010; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII DSM 2661 . AUTHOR K.TAN,C.HATZOS,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTU . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1.0 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 -2 A S 0 0 159 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 148.6 5.8 12.8 0.3 2 -1 A N > + 0 0 109 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.359 360.0 107.9 -81.3 4.2 7.3 9.9 -1.7 3 0 A A H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 77.3 40.3 -61.3 -51.8 5.0 7.3 0.2 4 1 A L H > S+ 0 0 155 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.822 115.7 53.7 -64.5 -36.5 2.5 6.3 -2.6 5 2 A K H > S+ 0 0 141 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.948 110.5 46.1 -61.9 -47.1 5.2 6.2 -5.1 6 3 A D H X S+ 0 0 84 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.852 109.7 54.3 -65.6 -34.9 7.2 3.9 -2.9 7 4 A V H X S+ 0 0 85 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.963 109.9 46.8 -65.9 -50.4 4.2 1.7 -2.2 8 5 A L H X S+ 0 0 86 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.863 108.8 55.9 -54.3 -40.2 3.6 1.2 -6.0 9 6 A N H X S+ 0 0 76 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.927 105.4 52.4 -61.9 -42.0 7.3 0.5 -6.4 10 7 A I H X S+ 0 0 114 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.945 111.0 46.7 -50.7 -50.0 7.0 -2.3 -3.8 11 8 A L H X S+ 0 0 80 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.884 112.7 49.9 -66.4 -40.3 4.1 -3.7 -5.8 12 9 A L H X S+ 0 0 40 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.920 113.4 44.0 -63.4 -50.4 6.0 -3.4 -9.1 13 10 A X H X S+ 0 0 106 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.880 110.8 55.5 -62.6 -45.6 9.2 -5.1 -7.9 14 11 A D H X S+ 0 0 68 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.888 107.5 48.9 -53.1 -42.8 7.2 -7.9 -6.1 15 12 A E H X S+ 0 0 26 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.839 107.5 55.8 -75.1 -31.0 5.5 -8.8 -9.4 16 13 A I H X S+ 0 0 17 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.917 108.8 46.5 -59.8 -46.1 8.8 -8.8 -11.1 17 14 A S H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.904 113.3 51.0 -61.9 -41.3 10.1 -11.4 -8.6 18 15 A K H X S+ 0 0 114 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.910 110.7 45.9 -63.6 -45.2 6.8 -13.3 -9.1 19 16 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.928 112.0 52.7 -66.2 -41.3 7.1 -13.4 -12.9 20 17 A K H X S+ 0 0 116 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.879 110.9 47.3 -58.3 -42.3 10.8 -14.4 -12.7 21 18 A D H X S+ 0 0 117 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.911 111.1 51.6 -64.1 -47.7 9.9 -17.3 -10.4 22 19 A F H < S+ 0 0 28 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.912 115.2 42.1 -50.5 -48.6 7.0 -18.3 -12.7 23 20 A L H >< S+ 0 0 10 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.900 111.5 53.5 -76.0 -38.4 9.3 -18.4 -15.7 24 21 A S H >< S+ 0 0 67 -4,-2.6 3,-1.9 1,-0.3 4,-0.3 0.837 98.8 64.7 -64.5 -30.2 12.3 -20.1 -13.9 25 22 A N T 3< S+ 0 0 90 -4,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.683 94.6 62.7 -65.3 -19.1 9.9 -22.9 -12.8 26 23 A L T X S+ 0 0 4 -3,-1.4 3,-0.6 -4,-0.3 18,-0.4 0.515 76.8 90.2 -84.2 -5.1 9.6 -23.7 -16.6 27 24 A D T < S+ 0 0 70 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.865 105.8 16.5 -58.9 -42.0 13.3 -24.5 -16.9 28 25 A Y T 3 S+ 0 0 220 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.2 0.109 118.0 77.3-118.6 18.6 12.9 -28.3 -16.1 29 26 A I < - 0 0 85 -3,-0.6 15,-0.3 -4,-0.1 -1,-0.0 -0.996 53.9-162.2-134.3 130.8 9.1 -28.6 -16.6 30 27 A K - 0 0 113 -2,-0.4 13,-0.2 13,-0.1 -4,-0.0 -0.923 35.3-130.5-106.2 102.4 6.9 -28.8 -19.7 31 28 A P - 0 0 10 0, 0.0 11,-2.3 0, 0.0 2,-0.6 -0.165 8.2-140.9 -56.0 143.8 3.5 -28.0 -18.4 32 29 A K E -A 41 0A 130 9,-0.2 2,-0.5 40,-0.0 9,-0.2 -0.946 20.3-154.7-103.6 115.6 0.7 -30.3 -19.3 33 30 A V E -A 40 0A 7 7,-3.3 7,-2.7 -2,-0.6 2,-0.5 -0.840 3.6-144.5 -98.7 126.5 -2.4 -28.2 -20.1 34 31 A N E +A 39 0A 118 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.792 21.7 171.7 -91.1 120.3 -6.0 -29.6 -19.7 35 32 A I E > -A 38 0A 11 3,-2.6 3,-2.7 -2,-0.5 2,-0.2 -0.850 66.8 -69.6-129.8 95.0 -8.6 -28.4 -22.2 36 33 A E T 3 S- 0 0 164 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 -0.404 121.4 -8.3 52.9-115.7 -11.6 -30.5 -21.6 37 34 A E T 3 S+ 0 0 193 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.665 119.3 97.1 -84.3 -14.0 -10.6 -33.9 -22.9 38 35 A E E < -A 35 0A 104 -3,-2.7 -3,-2.6 2,-0.0 2,-0.5 -0.507 51.3-166.9 -79.8 139.1 -7.3 -32.6 -24.3 39 36 A I E -A 34 0A 120 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.974 17.0-176.8-122.9 115.8 -4.0 -32.8 -22.6 40 37 A I E -A 33 0A 57 -7,-2.7 -7,-3.3 -2,-0.5 2,-0.4 -0.944 18.3-144.7-126.5 126.6 -1.3 -30.7 -24.3 41 38 A E E -A 32 0A 107 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.712 22.0-177.5 -88.3 133.1 2.3 -30.3 -23.5 42 39 A I - 0 0 5 -11,-2.3 2,-0.3 -2,-0.4 3,-0.0 -0.852 14.8-131.0-126.7 170.2 3.9 -26.9 -24.0 43 40 A R >> - 0 0 108 -2,-0.3 4,-1.7 -13,-0.2 3,-0.9 -0.828 24.0-114.3-124.6 149.6 7.4 -25.5 -23.6 44 41 A K H 3> S+ 0 0 55 -18,-0.4 4,-2.6 -15,-0.3 5,-0.3 0.876 116.1 59.6 -44.6 -46.4 9.0 -22.5 -21.9 45 42 A E H 3> S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.876 104.8 47.9 -56.3 -41.7 10.0 -21.3 -25.3 46 43 A D H <> S+ 0 0 43 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.868 112.0 49.9 -67.8 -39.1 6.3 -21.1 -26.4 47 44 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.924 111.3 48.1 -65.3 -47.4 5.4 -19.3 -23.3 48 45 A I H X S+ 0 0 40 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.922 109.8 53.9 -58.7 -48.9 8.2 -16.7 -23.6 49 46 A N H X S+ 0 0 95 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.911 110.4 45.4 -54.4 -42.4 7.2 -16.1 -27.3 50 47 A A H >< S+ 0 0 4 -4,-1.9 3,-0.8 1,-0.2 4,-0.4 0.916 114.8 47.2 -69.1 -44.8 3.6 -15.4 -26.4 51 48 A L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.842 101.5 64.5 -67.1 -32.1 4.5 -13.1 -23.5 52 49 A K H >< S+ 0 0 98 -4,-2.4 3,-1.9 1,-0.3 4,-0.4 0.806 89.7 69.6 -62.9 -22.9 7.1 -11.2 -25.5 53 50 A L G X< S+ 0 0 68 -3,-0.8 3,-0.7 -4,-0.7 -1,-0.3 0.814 91.7 59.2 -64.1 -27.4 4.1 -10.0 -27.7 54 51 A F G < S+ 0 0 0 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.455 80.4 88.8 -83.4 1.0 3.0 -7.9 -24.8 55 52 A K G < S+ 0 0 86 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.903 103.8 23.0 -67.3 -36.5 6.2 -5.9 -24.7 56 53 A G S < S+ 0 0 74 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.2 0.356 127.5 40.8-110.3 8.2 4.9 -3.4 -27.2 57 54 A K - 0 0 115 -4,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.941 57.8-149.6-160.3 131.2 1.2 -3.7 -26.8 58 55 A Y S S+ 0 0 58 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.862 88.3 49.2 -72.6 -33.5 -1.2 -4.1 -23.8 59 56 A E S S- 0 0 56 30,-0.1 2,-0.4 28,-0.0 30,-0.2 -0.921 70.7-169.2-119.6 121.6 -3.9 -6.1 -25.7 60 57 A I E -B 88 0B 4 28,-2.9 28,-2.3 -2,-0.5 2,-0.2 -0.896 24.4-116.2-118.4 134.6 -3.0 -9.1 -27.8 61 58 A E E > -B 87 0B 106 -2,-0.4 3,-2.1 26,-0.2 26,-0.3 -0.429 17.3-138.9 -65.0 130.3 -5.1 -11.2 -30.3 62 59 A V G > S+ 0 0 17 24,-2.0 3,-1.7 1,-0.3 -1,-0.1 0.760 99.3 72.9 -60.9 -23.4 -5.6 -14.8 -29.2 63 60 A D G 3 S+ 0 0 153 23,-0.5 -1,-0.3 1,-0.3 24,-0.1 0.600 89.3 61.0 -70.2 -10.6 -5.1 -15.8 -32.9 64 61 A K G < S+ 0 0 112 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.549 105.1 50.8 -85.7 -8.9 -1.3 -15.0 -32.4 65 62 A I S < S- 0 0 9 -3,-1.7 2,-0.1 -4,-0.2 -1,-0.1 -0.977 91.1-103.6-137.6 134.0 -0.9 -17.6 -29.6 66 63 A P >> - 0 0 82 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.429 30.4-125.8 -62.0 139.6 -1.7 -21.3 -29.3 67 64 A K H 3> S+ 0 0 108 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.866 110.4 56.3 -51.1 -45.3 -4.8 -21.9 -27.2 68 65 A A H 3> S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.888 109.5 48.3 -57.5 -40.5 -2.9 -24.4 -25.0 69 66 A V H <> S+ 0 0 1 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.949 115.3 40.7 -67.0 -50.7 -0.3 -21.6 -24.3 70 67 A Y H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.857 111.4 56.9 -72.8 -30.5 -2.7 -18.8 -23.5 71 68 A V H X S+ 0 0 39 -4,-3.0 4,-3.0 -5,-0.3 -1,-0.2 0.923 109.0 48.0 -58.1 -43.4 -5.0 -21.2 -21.4 72 69 A Y H X S+ 0 0 15 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.938 111.2 50.0 -59.7 -45.0 -2.0 -22.0 -19.3 73 70 A L H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 6,-1.6 0.792 113.8 45.1 -71.1 -27.8 -1.1 -18.3 -18.9 74 71 A V H ><5S+ 0 0 43 -4,-2.0 3,-2.3 4,-0.2 -1,-0.2 0.926 111.4 51.9 -74.1 -48.3 -4.7 -17.5 -17.9 75 72 A K H 3<5S+ 0 0 134 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.892 110.3 51.1 -53.0 -40.4 -4.9 -20.5 -15.5 76 73 A K T 3<5S- 0 0 87 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.222 116.2-115.9 -85.4 12.1 -1.7 -19.1 -14.0 77 74 A N T < 5S+ 0 0 105 -3,-2.3 -3,-0.2 2,-0.2 14,-0.1 0.745 85.4 113.4 57.8 32.5 -3.1 -15.6 -13.5 78 75 A I S > -C 87 0B 72 5,-2.9 4,-2.1 -2,-0.4 5,-1.8 -0.913 10.3-175.9-117.7 91.6 -11.8 -11.7 -23.6 83 80 A P T 45S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.873 80.7 50.3 -63.8 -37.4 -13.3 -14.4 -25.7 84 81 A Q T 45S+ 0 0 205 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.945 116.8 40.5 -66.5 -50.7 -15.8 -12.1 -27.5 85 82 A R T 45S- 0 0 139 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.788 104.3-133.8 -62.8 -27.8 -13.0 -9.6 -28.4 86 83 A G T <5 + 0 0 20 -4,-2.1 -24,-2.0 1,-0.3 -23,-0.5 0.886 66.1 115.8 66.8 43.4 -10.7 -12.5 -29.2 87 84 A T E < -BC 61 82B 15 -5,-1.8 -5,-2.9 -26,-0.3 2,-0.3 -0.905 53.1-149.1-138.0 166.2 -7.9 -10.8 -27.2 88 85 A L E -BC 60 81B 0 -28,-2.3 -28,-2.9 -2,-0.3 -7,-0.2 -0.936 12.3-174.8-131.4 152.2 -5.8 -11.2 -24.1 89 86 A K E - C 0 80B 46 -9,-2.0 -9,-3.1 -2,-0.3 -30,-0.1 -0.967 39.0 -88.9-139.4 158.2 -4.4 -8.6 -21.6 90 87 A P E - C 0 79B 1 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.309 41.5-116.7 -59.9 151.2 -2.0 -8.9 -18.6 91 88 A Q S S- 0 0 48 -13,-2.2 2,-0.3 -14,-0.1 -12,-0.1 0.696 92.3 -3.1 -70.7 -15.2 -4.0 -9.5 -15.4 92 89 A S S > S- 0 0 42 -14,-0.3 4,-2.0 -12,-0.0 -1,-0.1 -0.952 75.8-103.2-160.1 169.3 -2.8 -6.1 -14.1 93 90 A F H > S+ 0 0 148 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.706 121.3 61.5 -71.4 -20.8 -0.5 -3.3 -15.1 94 91 A L H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 104.7 47.5 -66.1 -42.4 2.1 -4.8 -12.6 95 92 A V H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.942 112.7 49.7 -62.9 -49.0 2.1 -7.9 -14.7 96 93 A W H X S+ 0 0 57 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.936 111.3 47.6 -53.2 -52.7 2.5 -5.8 -17.9 97 94 A N H X S+ 0 0 31 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.914 110.3 53.1 -56.1 -45.1 5.4 -3.9 -16.4 98 95 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.4 0.950 107.8 50.5 -59.3 -47.2 7.0 -7.1 -15.2 99 96 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.940 112.2 47.6 -52.1 -47.6 6.8 -8.6 -18.8 100 97 A K H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.796 117.2 42.8 -67.0 -30.6 8.4 -5.4 -20.2 101 98 A R H < S+ 0 0 149 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.780 123.7 34.0 -83.2 -29.8 11.2 -5.4 -17.6 102 99 A V H < 0 0 48 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.828 360.0 360.0-101.7 -37.8 12.0 -9.2 -17.6 103 100 A L < 0 0 44 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.1 0.472 360.0 360.0 -97.6 360.0 11.4 -10.3 -21.3