==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-APR-09 3H92 . COMPND 2 MOLECULE: UNCHARACTERIZED ATP-BINDING PROTEIN MJECL15; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR R.ZHANG,C.HATZOS,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUC . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 74.4 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 . 8 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 . 0 0.0 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 . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 48.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.7 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 1 1 0 0 1 0 0 0 0 0 1 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A E > 0 0 151 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 86.5 17.7 23.0 52.6 2 8 A T H > + 0 0 89 2,-0.2 4,-1.8 3,-0.1 5,-0.1 0.978 360.0 50.0 -62.9 -53.0 18.7 25.4 49.7 3 9 A K H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.906 114.8 41.2 -48.9 -54.5 20.5 22.4 48.2 4 10 A L H > S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.815 113.4 50.8 -74.6 -32.2 17.6 20.0 48.5 5 11 A E H X S+ 0 0 80 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.700 103.8 62.6 -76.0 -17.6 14.8 22.4 47.4 6 12 A E H X S+ 0 0 126 -4,-1.8 4,-1.9 -3,-0.3 -2,-0.2 0.968 112.7 34.0 -61.5 -55.3 17.0 23.2 44.3 7 13 A E H X S+ 0 0 45 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.726 117.0 55.5 -73.6 -27.5 16.7 19.5 43.2 8 14 A R H X S+ 0 0 57 -4,-1.7 4,-3.3 2,-0.2 -1,-0.2 0.894 110.6 44.7 -66.1 -43.8 13.2 19.4 44.6 9 15 A N H X S+ 0 0 80 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.822 111.7 55.1 -68.6 -30.8 12.5 22.5 42.3 10 16 A H H X S+ 0 0 55 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.961 113.0 39.7 -60.4 -51.5 14.3 20.6 39.6 11 17 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.942 116.6 52.0 -66.1 -48.3 12.1 17.6 40.0 12 18 A E H X S+ 0 0 69 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.920 112.4 45.2 -46.8 -51.1 9.0 19.9 40.5 13 19 A E H X S+ 0 0 123 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.927 113.6 49.0 -64.1 -44.7 9.9 21.8 37.3 14 20 A L H X S+ 0 0 9 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.911 110.0 51.9 -60.5 -45.1 10.5 18.6 35.3 15 21 A L H X S+ 0 0 12 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.892 109.2 49.7 -62.8 -37.7 7.3 17.1 36.5 16 22 A E H X>S+ 0 0 115 -4,-2.1 4,-2.6 2,-0.2 5,-0.5 0.941 110.8 50.5 -61.7 -47.6 5.3 20.3 35.4 17 23 A K H X>S+ 0 0 79 -4,-2.5 5,-2.5 1,-0.2 4,-1.8 0.902 110.6 50.1 -55.9 -42.3 7.0 20.1 32.0 18 24 A V H <5S+ 0 0 1 -4,-2.3 9,-0.4 3,-0.2 -1,-0.2 0.870 114.1 42.4 -70.7 -36.4 6.0 16.5 31.7 19 25 A E H <5S+ 0 0 116 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.969 129.4 22.8 -73.3 -51.5 2.4 17.0 32.5 20 26 A E H <5S+ 0 0 126 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.933 132.6 24.5 -76.5 -51.4 1.7 20.1 30.5 21 27 A D T < < + 0 0 75 -5,-2.5 3,-0.6 1,-0.2 5,-0.2 -0.622 43.4 175.2 -80.8 99.7 5.6 16.9 26.8 23 29 A E T 3 S+ 0 0 206 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.0 0.756 81.1 61.5 -65.2 -30.4 2.9 15.3 24.8 24 30 A G T 3 S+ 0 0 62 -3,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.688 99.7 58.3 -69.6 -22.4 5.6 12.5 24.2 25 31 A I S < S- 0 0 26 -3,-0.6 2,-0.7 -7,-0.2 -1,-0.1 -0.956 77.8-137.2-119.0 121.8 5.9 11.6 27.9 26 32 A N > - 0 0 76 -2,-0.5 4,-1.9 1,-0.2 3,-0.4 -0.704 8.7-151.0 -77.4 118.7 3.0 10.4 30.1 27 33 A Y H > S+ 0 0 58 -2,-0.7 4,-2.9 -9,-0.4 5,-0.2 0.867 95.0 54.8 -43.7 -51.2 3.2 12.1 33.4 28 34 A D H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.826 109.8 47.6 -66.6 -28.2 1.5 9.2 35.2 29 35 A E H > S+ 0 0 86 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.765 109.2 53.7 -79.0 -36.3 4.2 6.7 33.8 30 36 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.939 110.3 48.1 -59.5 -46.6 6.9 9.1 34.8 31 37 A L H X S+ 0 0 38 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.912 112.1 48.2 -58.4 -47.5 5.5 9.1 38.4 32 38 A E H X S+ 0 0 102 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.939 111.8 50.9 -65.2 -41.6 5.2 5.3 38.4 33 39 A A H >< S+ 0 0 8 -4,-2.4 3,-1.4 1,-0.2 4,-0.4 0.961 112.7 44.1 -50.7 -60.4 8.8 5.1 37.2 34 40 A L H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 4,-0.2 0.812 104.1 64.2 -64.6 -28.9 10.3 7.4 39.8 35 41 A K H >X S+ 0 0 78 -4,-2.1 3,-2.1 1,-0.3 4,-0.5 0.802 87.4 70.9 -65.7 -27.9 8.3 5.8 42.6 36 42 A L H XX S+ 0 0 63 -3,-1.4 4,-1.2 -4,-1.0 3,-0.7 0.768 91.6 61.4 -54.1 -27.8 10.2 2.6 42.1 37 43 A F H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.547 86.1 71.3 -84.1 -6.9 13.2 4.3 43.5 38 44 A K H <4 S+ 0 0 86 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.753 110.4 33.4 -75.6 -25.2 11.6 5.0 46.9 39 45 A D H << S+ 0 0 134 -3,-0.7 2,-0.4 -4,-0.5 -2,-0.2 0.716 130.5 28.8 -99.0 -29.7 11.8 1.3 47.6 40 46 A N < - 0 0 98 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.1 -0.906 59.5-158.8-141.7 117.4 15.0 0.6 45.8 41 47 A Y S S+ 0 0 64 -2,-0.4 2,-0.4 -3,-0.2 -1,-0.1 0.773 84.6 26.8 -62.2 -40.3 17.9 3.0 45.2 42 48 A E S S+ 0 0 55 30,-0.2 30,-0.2 28,-0.0 -1,-0.1 -0.986 75.3 168.2-127.1 141.8 19.4 1.1 42.3 43 49 A L E -A 71 0A 11 28,-2.8 28,-3.0 -2,-0.4 -6,-0.0 -0.968 42.0 -78.6-152.2 161.3 17.5 -1.1 39.9 44 50 A P E > -A 70 0A 64 0, 0.0 3,-1.5 0, 0.0 26,-0.3 -0.338 40.1-129.3 -56.8 144.6 17.7 -3.0 36.7 45 51 A K G > S+ 0 0 84 24,-2.5 3,-1.5 1,-0.3 25,-0.1 0.765 104.5 68.1 -70.5 -20.7 17.1 -0.7 33.7 46 52 A S G 3 S+ 0 0 108 23,-0.3 -1,-0.3 1,-0.3 4,-0.1 0.510 79.4 81.3 -73.5 -3.8 14.4 -3.0 32.3 47 53 A K G < S+ 0 0 136 -3,-1.5 2,-0.4 1,-0.1 -1,-0.3 0.704 95.3 49.7 -69.5 -15.2 12.3 -2.1 35.3 48 54 A I S < S- 0 0 11 -3,-1.5 -1,-0.1 -4,-0.1 5,-0.0 -0.961 96.2 -98.7-130.9 141.9 11.4 1.1 33.3 49 55 A K > - 0 0 157 -2,-0.4 4,-3.1 -20,-0.1 5,-0.2 -0.218 33.5-124.8 -56.8 138.7 10.2 1.8 29.9 50 56 A R H > S+ 0 0 155 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.925 108.0 53.0 -53.5 -52.6 12.9 2.9 27.5 51 57 A K H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 113.9 45.3 -53.9 -39.6 11.4 6.1 26.4 52 58 A I H > S+ 0 0 7 2,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.934 112.8 48.5 -74.7 -45.1 11.0 7.1 30.0 53 59 A R H X S+ 0 0 41 -4,-3.1 4,-2.0 1,-0.2 5,-0.2 0.926 110.3 52.2 -59.1 -45.4 14.5 6.1 31.1 54 60 A I H X S+ 0 0 95 -4,-3.2 4,-2.6 -5,-0.2 -1,-0.2 0.926 112.5 46.1 -56.1 -44.2 16.0 7.9 28.2 55 61 A F H X S+ 0 0 9 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.925 112.2 48.3 -64.5 -48.5 14.1 11.0 29.2 56 62 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 6,-1.9 0.769 113.4 48.5 -66.7 -27.3 15.0 10.9 32.9 57 63 A I H ><5S+ 0 0 54 -4,-2.0 3,-2.0 -5,-0.2 -2,-0.2 0.924 110.9 50.0 -72.7 -52.9 18.6 10.3 32.1 58 64 A K H 3<5S+ 0 0 133 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.864 111.4 50.6 -50.9 -37.3 18.6 13.2 29.6 59 65 A E T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.224 115.5-116.5 -93.6 16.2 17.0 15.4 32.3 60 66 A N T < 5S+ 0 0 97 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.748 85.4 111.3 54.8 37.5 19.6 14.4 34.9 61 67 A I S > -B 70 0A 28 5,-3.0 4,-1.3 -2,-0.5 5,-1.3 -0.919 9.3-168.9-100.1 105.9 25.5 2.2 34.9 66 72 A P T 45S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.760 82.2 54.5 -70.5 -27.5 26.1 0.5 31.5 67 73 A Q T 45S+ 0 0 168 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.978 120.3 30.1 -67.7 -56.4 28.3 -2.2 33.0 68 74 A K T 45S- 0 0 122 2,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.561 101.8-130.6 -80.5 -10.4 25.9 -3.3 35.6 69 75 A G T <5 + 0 0 23 -4,-1.3 -24,-2.5 1,-0.2 -23,-0.3 0.826 62.3 131.5 63.9 33.0 22.8 -2.4 33.5 70 76 A T E < -AB 44 65A 20 -5,-1.3 -5,-3.0 -26,-0.3 2,-0.3 -0.780 47.8-146.0-119.0 159.9 21.2 -0.5 36.4 71 77 A L E +AB 43 64A 0 -28,-3.0 -28,-2.8 -2,-0.3 -7,-0.2 -0.909 23.2 161.5-116.9 151.0 19.5 2.8 37.0 72 78 A K E - B 0 63A 54 -9,-1.4 -9,-3.4 -2,-0.3 -30,-0.2 -0.950 49.1 -72.0-157.8 163.1 19.7 5.0 40.1 73 79 A P E - B 0 62A 1 0, 0.0 -11,-0.3 0, 0.0 -12,-0.1 -0.269 44.4-119.7 -59.4 148.8 19.1 8.6 41.0 74 80 A Q S S- 0 0 77 -13,-2.6 2,-0.3 1,-0.1 -12,-0.1 0.765 90.0 -5.7 -66.4 -27.2 21.7 10.9 39.7 75 81 A S S > S- 0 0 39 -14,-0.3 4,-2.6 1,-0.1 3,-0.2 -0.965 73.8-101.9-156.8 169.7 22.5 12.0 43.3 76 82 A Y H > S+ 0 0 164 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.831 121.4 58.9 -65.5 -37.8 21.4 11.6 46.8 77 83 A L H > S+ 0 0 53 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 107.4 46.0 -50.6 -47.3 19.8 15.0 46.6 78 84 A V H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.941 112.1 52.3 -63.9 -47.3 17.7 13.7 43.7 79 85 A W H X S+ 0 0 60 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.927 109.9 47.6 -58.1 -40.0 16.9 10.6 45.6 80 86 A N H X S+ 0 0 47 -4,-2.8 4,-2.0 2,-0.2 -1,-0.3 0.830 107.6 55.2 -72.2 -27.4 15.8 12.5 48.6 81 87 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.3 5,-0.3 0.905 109.1 50.0 -69.8 -40.0 13.6 14.8 46.4 82 88 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.937 110.4 48.2 -56.0 -52.2 11.8 11.6 45.1 83 89 A K H < S+ 0 0 83 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.957 116.9 43.1 -58.3 -46.0 11.2 10.2 48.5 84 90 A R H < S+ 0 0 123 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.809 123.0 35.2 -70.2 -33.4 9.9 13.5 49.7 85 91 A X H < 0 0 58 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.737 360.0 360.0 -96.6 -26.7 7.7 14.3 46.6 86 92 A L < 0 0 34 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.594 360.0 360.0-106.4 360.0 6.5 10.9 45.5