==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-DEC-10 2L7K . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR S.V.S.R.K.PULAVARTI,A.ELETSKY,J.L.MILLS,D.K.SUKUMARAN,H.WANG . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 49 64.5 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 . 0 0.0 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 . 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 . 1 1.3 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 . 5 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 46.1 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+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 1 0 0 1 1 0 0 1 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 152 0, 0.0 2,-0.1 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0 124.4 -12.1 -8.2 2.9 2 2 A I - 0 0 55 54,-0.1 2,-0.6 46,-0.1 46,-0.0 -0.462 360.0-118.0 -86.6 163.5 -10.6 -5.4 5.0 3 3 A R - 0 0 185 -2,-0.1 2,-0.3 0, 0.0 -1,-0.0 -0.918 32.1-176.2-109.3 115.1 -11.7 -1.8 4.9 4 4 A L - 0 0 0 -2,-0.6 2,-0.0 1,-0.1 41,-0.0 -0.770 23.1-115.5-106.0 155.4 -9.1 0.7 3.9 5 5 A T > - 0 0 42 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.219 29.8-103.8 -82.4 175.2 -9.4 4.5 3.8 6 6 A I H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.888 121.5 51.6 -67.5 -38.4 -9.2 6.8 0.7 7 7 A E H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.911 112.4 46.1 -62.7 -44.6 -5.6 7.9 1.7 8 8 A E H > S+ 0 0 9 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.939 115.6 41.9 -65.8 -51.5 -4.4 4.3 2.1 9 9 A T H X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.782 111.6 55.8 -74.2 -28.5 -5.8 2.8 -1.1 10 10 A N H X S+ 0 0 58 -4,-1.8 4,-0.7 54,-0.2 -1,-0.2 0.843 107.1 50.4 -70.9 -32.9 -4.9 5.8 -3.3 11 11 A L H >X S+ 0 0 3 -4,-1.4 4,-0.7 1,-0.2 3,-0.5 0.859 109.4 50.7 -70.9 -35.5 -1.2 5.4 -2.2 12 12 A L H >X S+ 0 0 0 -4,-1.5 4,-0.9 1,-0.2 3,-0.6 0.821 102.2 62.2 -67.1 -31.8 -1.4 1.7 -3.1 13 13 A S H 3< S+ 0 0 57 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.747 96.6 59.5 -65.5 -25.3 -2.8 2.8 -6.5 14 14 A I H << S+ 0 0 84 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.826 121.5 22.2 -72.5 -31.4 0.5 4.7 -7.2 15 15 A Y H << S+ 0 0 39 -4,-0.7 2,-0.6 -3,-0.6 11,-0.2 0.268 83.2 139.4-123.3 8.2 2.6 1.4 -6.9 16 16 A N < + 0 0 69 -4,-0.9 2,-0.2 -5,-0.1 4,-0.1 -0.460 26.6 123.8 -64.3 106.4 -0.0 -1.3 -7.6 17 17 A E + 0 0 137 2,-0.6 9,-0.2 -2,-0.6 -4,-0.0 -0.830 64.5 14.7-166.2 125.2 1.8 -3.9 -9.8 18 18 A G S > S- 0 0 60 -2,-0.2 4,-2.1 4,-0.2 3,-0.5 0.868 114.4 -75.8 78.7 38.0 2.3 -7.7 -9.3 19 19 A G H > S- 0 0 24 1,-0.2 -2,-0.6 2,-0.2 4,-0.6 -0.443 83.5 -45.1 75.3-147.7 -0.2 -8.2 -6.5 20 20 A K H > S+ 0 0 25 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.637 137.9 62.0 -93.3 -18.8 0.6 -7.0 -3.0 21 21 A R H > S+ 0 0 171 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.974 109.1 38.7 -65.9 -57.1 4.1 -8.6 -3.3 22 22 A G H X S+ 0 0 18 -4,-2.1 4,-1.8 1,-0.2 -4,-0.2 0.775 113.7 58.4 -65.6 -29.0 5.2 -6.4 -6.2 23 23 A L H X S+ 0 0 0 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.903 108.9 44.1 -62.4 -44.6 3.3 -3.5 -4.5 24 24 A M H X S+ 0 0 37 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.862 114.7 48.8 -69.5 -36.7 5.5 -3.9 -1.4 25 25 A E H X S+ 0 0 138 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.806 112.5 49.5 -73.2 -30.9 8.7 -4.2 -3.5 26 26 A N H X S+ 0 0 59 -4,-1.8 4,-1.2 -11,-0.2 -2,-0.2 0.919 115.4 42.7 -68.6 -47.8 7.6 -1.1 -5.5 27 27 A I H < S+ 0 0 1 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.939 115.1 47.9 -66.1 -48.1 7.0 0.9 -2.3 28 28 A N H < S+ 0 0 90 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.767 113.1 48.3 -70.6 -26.2 10.1 -0.2 -0.4 29 29 A A H < S+ 0 0 68 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.786 116.2 43.9 -79.4 -28.1 12.4 0.4 -3.3 30 30 A A S X S+ 0 0 16 -4,-1.2 4,-0.6 -3,-0.2 3,-0.2 0.145 79.4 109.0-105.2 18.2 11.0 3.9 -4.0 31 31 A L T >4 S+ 0 0 43 -3,-0.4 3,-0.7 1,-0.2 -1,-0.2 0.906 82.8 44.4 -60.2 -47.5 10.9 4.9 -0.3 32 32 A P T 34 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.665 115.3 51.0 -70.1 -14.5 13.8 7.5 -0.7 33 33 A F T 34 S+ 0 0 171 -3,-0.2 -2,-0.2 -4,-0.1 2,-0.1 0.516 101.4 83.5 -95.0 -8.4 12.2 8.7 -3.9 34 34 A M S << S- 0 0 21 -3,-0.7 2,-0.1 -4,-0.6 -3,-0.0 -0.460 89.3 -95.7 -93.8 164.1 8.8 9.1 -2.1 35 35 A D > - 0 0 97 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.414 33.2-117.8 -72.4 153.7 7.5 12.0 -0.1 36 36 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.907 116.4 46.9 -61.3 -41.6 7.8 11.8 3.7 37 37 A D H > S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.852 112.4 51.0 -70.7 -34.8 4.0 11.8 4.3 38 38 A M H > S+ 0 0 69 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.846 110.3 49.7 -66.0 -36.5 3.6 9.2 1.6 39 39 A R H X S+ 0 0 74 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.877 110.5 47.6 -74.5 -39.8 6.3 7.0 3.2 40 40 A E H X S+ 0 0 80 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.787 114.3 48.4 -72.4 -29.0 4.8 7.2 6.8 41 41 A L H X S+ 0 0 22 -4,-1.3 4,-2.0 -5,-0.2 3,-0.4 0.850 106.3 59.9 -72.1 -35.0 1.4 6.4 5.3 42 42 A A H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.861 100.6 51.8 -64.4 -40.7 3.0 3.5 3.3 43 43 A K H X S+ 0 0 116 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.771 111.2 49.4 -70.2 -26.6 4.2 1.5 6.4 44 44 A R H < S+ 0 0 142 -4,-0.6 4,-0.3 -3,-0.4 -2,-0.2 0.890 114.9 42.3 -74.6 -42.4 0.7 1.7 7.9 45 45 A T H >X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 3,-0.7 0.833 111.4 53.4 -78.8 -33.6 -1.1 0.5 4.7 46 46 A L H 3X S+ 0 0 17 -4,-2.4 4,-0.8 1,-0.2 3,-0.2 0.801 102.5 60.1 -69.8 -28.1 1.4 -2.3 3.9 47 47 A A H 3< S+ 0 0 62 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.664 100.5 56.7 -70.7 -17.6 0.9 -3.6 7.5 48 48 A K H <4 S+ 0 0 77 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.800 111.9 40.1 -77.9 -32.3 -2.8 -4.0 6.5 49 49 A I H >< S+ 0 0 0 -4,-0.8 3,-0.9 -3,-0.2 -2,-0.2 0.464 93.3 86.8 -98.9 -7.1 -1.8 -6.3 3.6 50 50 A A T 3< S+ 0 0 66 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.900 93.5 43.3 -56.3 -46.7 0.9 -8.1 5.6 51 51 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.373 110.9 78.9 -79.5 8.0 -1.7 -10.6 7.0 52 52 A L < - 0 0 28 -3,-0.9 2,-0.2 1,-0.1 -3,-0.1 -0.606 68.9-142.4-108.7 168.7 -3.2 -10.9 3.4 53 53 A T > - 0 0 66 -2,-0.2 4,-1.4 -34,-0.0 5,-0.1 -0.435 41.1 -87.8-110.4-168.9 -2.2 -12.7 0.3 54 54 A E H > S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.773 127.8 57.7 -68.0 -29.0 -2.3 -11.8 -3.5 55 55 A N H > S+ 0 0 106 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.918 107.5 43.7 -68.2 -46.0 -5.9 -13.3 -3.4 56 56 A E H > S+ 0 0 56 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.820 113.7 50.4 -72.3 -33.6 -7.2 -10.9 -0.7 57 57 A Y H X S+ 0 0 5 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.761 104.6 58.6 -75.8 -25.1 -5.5 -7.8 -2.3 58 58 A A H < S+ 0 0 71 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.688 101.7 55.7 -74.5 -20.1 -7.1 -8.7 -5.7 59 59 A E H < S+ 0 0 103 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.798 112.3 41.7 -76.8 -33.0 -10.5 -8.5 -3.9 60 60 A L H < S+ 0 0 7 -4,-0.9 -2,-0.2 1,-0.1 -3,-0.1 0.970 78.4 167.6 -70.8 -59.8 -9.5 -4.9 -2.9 61 61 A A S < S- 0 0 60 -4,-3.0 -3,-0.1 1,-0.1 -4,-0.1 0.653 77.5 -55.0 55.6 28.6 -8.0 -4.2 -6.4 62 62 A I S S+ 0 0 33 -5,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.954 76.7 164.2 62.0 89.9 -7.8 -0.4 -5.5 63 63 A F > + 0 0 64 1,-0.2 2,-1.0 2,-0.0 3,-0.5 0.796 64.0 56.4 -97.0 -39.4 -11.4 0.5 -4.6 64 64 A A T 3 S+ 0 0 2 1,-0.2 -54,-0.2 -59,-0.2 -1,-0.2 -0.652 80.7 79.1-105.9 76.4 -10.7 3.9 -2.8 65 65 A A T 3 S+ 0 0 13 -2,-1.0 -1,-0.2 -3,-0.2 -2,-0.0 0.159 74.4 76.6-151.7 10.6 -8.9 6.1 -5.3 66 66 A D S X S+ 0 0 113 -3,-0.5 3,-0.7 1,-0.1 4,-0.3 0.643 83.1 66.5 -98.4 -17.9 -11.8 7.2 -7.4 67 67 A E T 3 S+ 0 0 85 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.716 98.2 52.4 -78.2 -23.3 -13.1 9.7 -4.8 68 68 A V T > S+ 0 0 66 1,-0.2 3,-0.8 2,-0.1 4,-0.5 0.430 88.4 82.1 -93.0 -0.6 -10.0 12.0 -5.2 69 69 A L T <> S+ 0 0 81 -3,-0.7 4,-0.6 1,-0.2 3,-0.5 0.773 82.7 60.9 -77.4 -23.8 -10.4 12.2 -9.0 70 70 A E T 34 S+ 0 0 152 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.551 92.5 69.8 -78.3 -7.7 -13.0 15.0 -8.8 71 71 A H T <4 S- 0 0 172 -3,-0.8 -1,-0.2 -4,-0.0 -2,-0.2 0.817 128.2 -14.5 -83.3 -33.4 -10.6 17.3 -7.0 72 72 A H T 4 S- 0 0 169 -3,-0.5 -2,-0.1 -4,-0.5 -3,-0.1 0.593 80.8-136.1-133.6 -47.0 -8.2 18.0 -10.0 73 73 A H < - 0 0 118 -4,-0.6 2,-0.5 -5,-0.3 -3,-0.1 0.909 10.7-142.0 69.5 95.6 -8.9 15.5 -12.8 74 74 A H - 0 0 165 -5,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.790 28.7-112.5 -82.1 123.5 -5.6 14.1 -14.2 75 75 A H 0 0 185 -2,-0.5 -1,-0.1 1,-0.0 -2,-0.0 -0.457 360.0 360.0 -68.5 110.1 -6.2 13.8 -18.0 76 76 A H 0 0 233 -2,-0.6 -1,-0.0 0, 0.0 0, 0.0 -0.932 360.0 360.0-129.9 360.0 -6.1 10.1 -18.7