==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-AUG-03 1Q48 . COMPND 2 MOLECULE: NIFU-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR T.A.RAMELOT,J.R.CORT,R.XIAO,R.SHASTRY,T.B.ACTON, . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 60.4 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 . 18 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 9 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 0 1 0 0 1 0 0 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 . 1 0 0 0 1 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 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 1 A M 0 0 245 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.9 5.8 -33.5 -23.8 2 2 A A + 0 0 51 3,-0.0 5,-0.0 0, 0.0 4,-0.0 -0.073 360.0 179.2 170.9 76.3 3.8 -33.4 -20.6 3 3 A Y S S+ 0 0 231 2,-0.1 2,-0.3 3,-0.0 0, 0.0 0.353 72.5 75.6 -72.3 13.4 3.0 -36.7 -18.8 4 4 A S S S- 0 0 66 2,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.779 89.9-118.9-120.3 166.9 1.3 -34.5 -16.2 5 5 A E S S+ 0 0 174 -2,-0.3 2,-0.5 2,-0.0 -2,-0.1 0.132 88.1 94.1 -91.0 23.7 -2.1 -32.7 -16.3 6 6 A K + 0 0 135 1,-0.1 -2,-0.2 2,-0.1 -3,-0.0 -0.950 39.2 169.0-119.4 121.8 -0.3 -29.3 -15.8 7 7 A V + 0 0 120 -2,-0.5 -1,-0.1 3,-0.0 -2,-0.0 0.562 34.2 133.0-104.0 -11.5 0.6 -27.2 -18.9 8 8 A I - 0 0 125 1,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.038 57.6-136.4 -35.9 147.5 1.6 -24.1 -16.9 9 9 A D S S- 0 0 145 1,-0.3 2,-0.3 3,-0.1 -1,-0.1 0.818 70.9 -36.9 -83.4 -30.4 4.9 -22.8 -18.2 10 10 A H - 0 0 103 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 -0.939 51.3-105.9 178.3 160.7 6.3 -22.1 -14.7 11 11 A Y S S- 0 0 216 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.904 105.5 -21.8 -69.7 -38.3 5.4 -21.0 -11.2 12 12 A E S S- 0 0 95 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.1 0.353 113.5 -32.9-134.0 -87.3 7.1 -17.6 -11.7 13 13 A N >> - 0 0 28 11,-0.0 4,-0.7 12,-0.0 3,-0.6 -0.998 40.9-123.0-147.1 149.8 9.8 -17.1 -14.3 14 14 A P T 34 S+ 0 0 112 0, 0.0 -1,-0.0 0, 0.0 -4,-0.0 0.364 97.7 85.2 -72.9 7.6 12.6 -19.2 -15.9 15 15 A R T 34 S- 0 0 187 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.048 114.2 -98.3 -97.9 28.0 15.1 -16.5 -14.8 16 16 A N T <4 S- 0 0 150 -3,-0.6 0, 0.0 2,-0.0 0, 0.0 0.983 82.4 -38.5 56.2 77.7 15.5 -18.0 -11.3 17 17 A V S < S+ 0 0 106 -4,-0.7 2,-0.1 1,-0.1 -5,-0.0 0.275 81.4 139.4 55.8 162.7 13.1 -15.8 -9.3 18 18 A G + 0 0 47 6,-0.0 -1,-0.1 0, 0.0 6,-0.0 -0.478 17.0 174.2 167.4 -88.0 13.0 -12.1 -10.1 19 19 A S + 0 0 46 -2,-0.1 8,-0.0 4,-0.1 29,-0.0 0.432 58.0 50.4 62.8 145.7 9.7 -10.2 -10.3 20 20 A L + 0 0 77 1,-0.1 26,-0.0 6,-0.1 7,-0.0 0.837 61.5 121.1 59.6 107.8 9.7 -6.4 -10.8 21 21 A D S S- 0 0 59 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.288 75.5-116.7-178.6 6.7 12.0 -5.4 -13.7 22 22 A K S S+ 0 0 130 1,-0.1 7,-0.1 6,-0.0 2,-0.0 0.558 106.2 78.4 57.5 -0.7 9.7 -3.6 -16.2 23 23 A K S S+ 0 0 140 5,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.432 70.5 94.9-135.0 63.1 10.6 -6.6 -18.4 24 24 A D S > S- 0 0 26 3,-0.4 3,-0.8 1,-0.1 100,-0.1 -0.974 72.1-124.5-147.1 161.1 8.3 -9.5 -17.3 25 25 A S T 3 S+ 0 0 47 -2,-0.3 99,-0.1 1,-0.2 -1,-0.1 0.651 110.0 62.6 -82.2 -12.9 5.0 -11.0 -18.3 26 26 A N T 3 S+ 0 0 27 1,-0.1 21,-2.2 98,-0.0 2,-0.4 0.312 98.8 64.8 -92.9 10.8 3.8 -10.6 -14.7 27 27 A V E < -A 46 0A 3 -3,-0.8 2,-0.5 19,-0.2 -3,-0.4 -0.951 69.1-157.1-136.5 117.6 4.1 -6.8 -15.0 28 28 A G E -A 45 0A 0 17,-1.6 17,-1.7 -2,-0.4 2,-0.3 -0.795 10.7-162.1 -95.8 130.3 2.0 -4.7 -17.4 29 29 A T E +A 44 0A 44 -2,-0.5 91,-0.4 88,-0.3 2,-0.3 -0.844 10.8 176.8-110.4 147.7 3.4 -1.3 -18.4 30 30 A G E +A 43 0A 0 13,-0.9 13,-2.8 -2,-0.3 2,-0.5 -0.883 6.7 176.9-152.8 117.6 1.4 1.6 -20.0 31 31 A M E +A 42 0A 122 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.915 18.9 152.7-125.2 108.4 2.6 5.1 -20.9 32 32 A V E +A 41 0A 31 9,-1.8 9,-2.6 -2,-0.5 2,-0.3 -0.570 12.1 173.7-121.3-172.7 0.1 7.4 -22.6 33 33 A G E -A 40 0A 29 7,-0.3 7,-0.2 -2,-0.2 3,-0.0 -0.959 38.2 -98.8-173.3-171.5 -0.4 11.2 -22.8 34 34 A A E >>> -A 39 0A 11 5,-2.7 3,-2.5 -2,-0.3 4,-1.3 -0.594 26.7-179.1-131.8 74.9 -2.5 14.0 -24.4 35 35 A P T 345S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.538 73.4 84.4 -51.3 -2.6 -0.5 15.4 -27.4 36 36 A A T 345S- 0 0 82 3,-0.1 -2,-0.0 -3,-0.0 0, 0.0 0.597 119.0 -7.7 -79.5 -7.9 -3.5 17.7 -27.8 37 37 A C T <45S- 0 0 86 -3,-2.5 -1,-0.0 2,-0.1 0, 0.0 0.358 109.8 -79.5-149.9 -56.8 -2.0 20.0 -25.2 38 38 A G T <5S+ 0 0 55 -4,-1.3 2,-0.4 1,-0.1 -5,-0.0 0.438 70.9 138.1 144.0 54.7 1.1 18.6 -23.5 39 39 A D E < -A 34 0A 45 -5,-0.5 -5,-2.7 24,-0.1 2,-0.4 -0.970 29.0-163.8-124.9 136.6 0.3 16.1 -20.7 40 40 A V E -A 33 0A 58 -2,-0.4 2,-0.4 -7,-0.2 23,-0.3 -0.955 7.2-177.9-120.8 136.0 2.1 12.9 -20.0 41 41 A M E -A 32 0A 11 -9,-2.6 -9,-1.8 -2,-0.4 2,-0.4 -0.992 5.0-171.0-133.7 137.0 0.7 10.0 -17.8 42 42 A Q E +AB 31 59A 73 17,-1.5 17,-3.0 -2,-0.4 2,-0.4 -0.981 7.0 176.0-129.6 127.0 2.4 6.7 -16.9 43 43 A L E -AB 30 58A 1 -13,-2.8 -13,-0.9 -2,-0.4 2,-0.4 -0.989 3.4-178.2-132.5 132.8 0.6 3.8 -15.1 44 44 A Q E -AB 29 57A 16 13,-1.8 13,-0.9 -2,-0.4 2,-0.3 -0.989 6.7-163.6-131.1 133.5 2.0 0.4 -14.3 45 45 A I E -AB 28 56A 0 -17,-1.7 -17,-1.6 -2,-0.4 2,-0.4 -0.878 10.2-142.2-116.2 149.2 0.2 -2.5 -12.6 46 46 A K E -A 27 0A 11 9,-2.2 8,-0.7 -2,-0.3 2,-0.5 -0.903 13.4-172.1-111.6 136.3 1.6 -5.6 -10.9 47 47 A V E + B 0 53A 2 -21,-2.2 6,-0.2 -2,-0.4 3,-0.1 -0.955 43.2 102.2-129.3 116.6 0.0 -9.1 -11.2 48 48 A D + 0 0 35 4,-1.7 2,-5.4 -2,-0.5 3,-0.2 0.353 45.5 97.8-160.0 -34.3 1.4 -12.0 -9.1 49 49 A D S S- 0 0 77 3,-0.7 4,-0.1 1,-0.3 -3,-0.0 -0.062 127.6 -50.1 -62.3 50.6 -0.9 -12.7 -6.1 50 50 A N S S- 0 0 132 -2,-5.4 -1,-0.3 1,-0.2 3,-0.1 0.950 108.9 -45.8 81.6 54.0 -2.5 -15.4 -8.3 51 51 A G S S+ 0 0 44 -3,-0.2 31,-0.8 1,-0.2 -1,-0.2 0.556 119.1 120.7 66.6 1.0 -3.2 -13.4 -11.4 52 52 A I B S-C 81 0B 46 29,-0.2 -4,-1.7 30,-0.1 2,-0.7 -0.527 72.5-109.9 -93.0 164.3 -4.5 -10.8 -9.0 53 53 A I E +B 47 0A 1 27,-2.5 26,-0.7 -6,-0.2 -6,-0.2 -0.823 41.1 163.2 -97.3 114.4 -3.1 -7.2 -8.6 54 54 A E E + 0 0 77 -2,-0.7 2,-0.3 -8,-0.7 -1,-0.2 0.821 67.9 27.2 -97.4 -38.9 -1.3 -6.7 -5.3 55 55 A D E - 0 0 77 -9,-0.4 -9,-2.2 23,-0.0 2,-0.3 -0.920 58.6-174.3-124.4 151.3 0.7 -3.5 -6.1 56 56 A A E +B 45 0A 4 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.788 10.0 178.4-146.6 99.6 -0.1 -0.7 -8.5 57 57 A K E +B 44 0A 79 -13,-0.9 -13,-1.8 -2,-0.3 2,-0.3 -0.415 4.2 175.3 -94.4 175.2 2.4 2.1 -9.1 58 58 A F E -B 43 0A 81 -15,-0.2 -15,-0.3 -2,-0.1 2,-0.2 -0.969 18.9-152.3-165.0 176.9 2.2 5.1 -11.4 59 59 A K E +B 42 0A 133 -17,-3.0 -17,-1.5 -2,-0.3 2,-0.5 -0.716 14.7 169.1-166.3 110.3 3.9 8.3 -12.5 60 60 A T + 0 0 9 -19,-0.2 2,-0.7 -2,-0.2 -19,-0.1 -0.826 7.8 164.6-129.1 96.6 2.3 11.5 -13.9 61 61 A Y + 0 0 203 -2,-0.5 3,-0.1 1,-0.1 -21,-0.1 -0.877 59.0 51.0-115.1 104.2 4.6 14.5 -14.1 62 62 A G S S+ 0 0 60 -2,-0.7 2,-0.8 -23,-0.1 -1,-0.1 0.003 90.8 68.1 165.5 -41.3 3.3 17.3 -16.4 63 63 A C S > S- 0 0 23 -23,-0.3 2,-3.0 -3,-0.0 3,-0.5 -0.858 70.7-145.4-106.8 105.6 -0.3 18.2 -15.3 64 64 A G T 3 S+ 0 0 83 -2,-0.8 -3,-0.1 1,-0.2 -1,-0.0 -0.337 94.7 25.2 -67.0 74.4 -0.3 19.8 -11.8 65 65 A S T > S+ 0 0 60 -2,-3.0 3,-1.1 3,-0.0 4,-0.5 -0.011 89.1 91.8 162.7 -42.8 -3.7 18.1 -10.9 66 66 A A T <> S+ 0 0 12 -3,-0.5 4,-1.2 1,-0.2 -2,-0.1 0.554 76.9 81.3 -56.4 1.3 -4.1 14.9 -12.9 67 67 A I H 3> S+ 0 0 74 -4,-0.4 4,-1.8 2,-0.2 5,-0.3 0.975 78.4 60.9 -73.3 -54.5 -2.4 13.4 -9.8 68 68 A A H X> S+ 0 0 64 -3,-1.1 3,-2.1 1,-0.3 4,-1.6 0.904 108.3 43.1 -35.5 -71.0 -5.5 13.1 -7.6 69 69 A S H 3> S+ 0 0 11 -4,-0.5 4,-2.9 1,-0.3 5,-0.5 0.903 106.3 64.4 -45.8 -43.0 -7.3 10.8 -10.0 70 70 A S H 3X S+ 0 0 1 -4,-1.2 4,-1.6 1,-0.3 -1,-0.3 0.883 104.2 46.4 -51.0 -36.3 -4.0 8.9 -10.4 71 71 A S H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 3,-1.0 0.952 116.8 49.0 -58.2 -47.9 -7.6 4.8 -10.2 74 74 A T H 3X S+ 0 0 4 -4,-1.6 4,-1.4 -5,-0.5 -1,-0.2 0.878 114.2 46.3 -61.2 -34.2 -4.4 3.2 -8.8 75 75 A E H 3< S+ 0 0 124 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.590 107.7 59.7 -84.1 -7.8 -6.2 2.6 -5.5 76 76 A W H << S+ 0 0 112 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.854 113.5 33.2 -87.1 -36.8 -9.2 1.2 -7.4 77 77 A V H >< S+ 0 0 2 -4,-1.8 3,-3.2 -5,-0.2 2,-0.8 0.785 87.1 110.8 -88.3 -28.4 -7.4 -1.6 -9.2 78 78 A K T 3< S+ 0 0 97 -4,-1.4 -24,-0.1 -5,-0.3 -22,-0.1 -0.199 98.6 10.0 -48.0 93.8 -5.0 -2.2 -6.3 79 79 A G T 3 S+ 0 0 47 -2,-0.8 -1,-0.3 -26,-0.7 -26,-0.1 0.033 110.2 101.1 120.4 -27.0 -6.4 -5.6 -5.3 80 80 A K S < S- 0 0 67 -3,-3.2 -27,-2.5 -4,-0.1 -1,-0.3 0.070 71.2-110.4 -74.1-165.6 -8.7 -6.2 -8.3 81 81 A S B >> -C 52 0B 28 -29,-0.2 4,-2.5 1,-0.1 3,-1.3 -0.868 23.0-106.0-127.9 163.5 -7.8 -8.4 -11.2 82 82 A L H 3> S+ 0 0 30 -31,-0.8 4,-2.7 -2,-0.3 -1,-0.1 0.899 119.4 63.8 -55.8 -37.6 -6.9 -7.9 -14.9 83 83 A E H 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.868 109.8 39.7 -56.1 -32.6 -10.4 -9.2 -15.8 84 84 A E H X> S+ 0 0 57 -3,-1.3 4,-1.7 1,-0.1 3,-0.9 0.901 112.1 53.6 -84.2 -43.0 -11.8 -6.1 -13.9 85 85 A A H 3< S+ 0 0 1 -4,-2.5 2,-0.6 1,-0.3 -2,-0.2 0.860 103.7 60.4 -60.5 -30.8 -9.2 -3.6 -15.1 86 86 A G T 3< S+ 0 0 50 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.157 111.7 38.2 -89.1 43.9 -10.0 -4.7 -18.7 87 87 A A T <4 S+ 0 0 59 -3,-0.9 -2,-0.2 -2,-0.6 -1,-0.2 0.351 83.6 105.2-157.0 -36.0 -13.7 -3.6 -18.2 88 88 A I < - 0 0 38 -4,-1.7 2,-0.3 1,-0.1 3,-0.0 -0.102 56.2-149.9 -52.5 157.0 -13.7 -0.4 -16.1 89 89 A K >> - 0 0 125 1,-0.1 4,-0.8 -3,-0.0 3,-0.7 -0.866 25.3-114.0-129.2 165.0 -14.5 2.8 -18.1 90 90 A N H 3> S+ 0 0 51 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.848 113.5 66.4 -68.1 -30.1 -13.5 6.5 -17.8 91 91 A S H 3> S+ 0 0 54 1,-0.2 4,-1.7 2,-0.2 5,-0.3 0.842 91.8 64.7 -60.6 -29.1 -17.2 7.3 -17.2 92 92 A Q H <> S+ 0 0 87 -3,-0.7 4,-2.1 2,-0.2 3,-0.3 0.982 112.0 31.1 -59.0 -56.2 -16.9 5.4 -13.9 93 93 A I H X S+ 0 0 4 -4,-0.8 4,-2.4 1,-0.2 5,-0.5 0.906 113.3 63.5 -70.4 -39.0 -14.3 7.8 -12.4 94 94 A A H X>S+ 0 0 30 -4,-2.8 4,-1.7 1,-0.2 5,-0.8 0.860 110.7 40.3 -54.3 -32.0 -15.8 10.8 -14.3 95 95 A E H <5S+ 0 0 129 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.898 112.3 52.5 -84.4 -43.0 -19.0 10.2 -12.2 96 96 A E H <5S+ 0 0 97 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.791 121.2 35.8 -63.9 -23.2 -17.3 9.4 -8.9 97 97 A L H <5S- 0 0 83 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.815 94.5-148.7 -97.7 -37.9 -15.4 12.7 -9.3 98 98 A E T <5 + 0 0 146 -4,-1.7 -3,-0.2 -5,-0.5 -4,-0.1 0.994 31.6 165.2 67.6 73.4 -18.1 14.8 -10.9 99 99 A L < - 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