==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 10-OCT-03 1R5E . COMPND 2 MOLECULE: AVIRULENCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE; . AUTHOR J.WULF,P.E.PASCUZZI,G.B.MARTIN,L.K.NICHOLSON . 105 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 78.1 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 . 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 . 6 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.8 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 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 1 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 29 A D 0 0 213 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.0 -13.1 17.9 -10.1 2 30 A N - 0 0 50 1,-0.2 3,-0.1 0, 0.0 71,-0.0 -0.097 360.0 -70.9 -70.2 174.4 -11.6 15.3 -7.8 3 31 A V - 0 0 61 1,-0.1 -1,-0.2 2,-0.1 5,-0.1 -0.267 62.6 -87.3 -66.3 153.8 -12.4 11.6 -8.0 4 32 A T > - 0 0 92 1,-0.1 4,-1.9 -3,-0.1 3,-0.4 -0.120 35.0-112.2 -58.1 158.8 -15.8 10.4 -6.7 5 33 A S H > S+ 0 0 72 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.888 120.8 53.9 -60.6 -39.6 -16.2 9.5 -3.1 6 34 A S H > S+ 0 0 86 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.797 108.2 51.1 -65.0 -28.1 -16.6 5.8 -4.0 7 35 A Q H > S+ 0 0 74 -3,-0.4 4,-2.4 2,-0.2 5,-0.3 0.843 98.9 64.5 -77.5 -34.9 -13.3 6.1 -5.9 8 36 A L H X S+ 0 0 5 -4,-1.9 4,-1.0 1,-0.3 -2,-0.2 0.933 113.5 33.3 -53.0 -49.0 -11.5 7.6 -2.9 9 37 A L H X S+ 0 0 39 -4,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.747 111.5 66.2 -78.7 -24.3 -12.1 4.4 -0.9 10 38 A S H X S+ 0 0 57 -4,-1.0 4,-1.1 -5,-0.2 -2,-0.2 0.860 104.4 44.0 -64.6 -35.9 -11.8 2.4 -4.1 11 39 A V H X S+ 0 0 16 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.814 112.0 52.2 -78.6 -31.2 -8.1 3.4 -4.4 12 40 A R H X S+ 0 0 65 -4,-1.0 4,-1.6 -5,-0.3 5,-0.2 0.741 108.3 53.1 -75.3 -22.9 -7.5 2.7 -0.7 13 41 A H H X S+ 0 0 78 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.824 109.8 46.5 -79.9 -33.7 -9.0 -0.7 -1.1 14 42 A Q H X S+ 0 0 75 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.830 116.6 45.3 -76.7 -33.6 -6.7 -1.7 -4.0 15 43 A L H >X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 3,-0.6 0.988 115.5 41.9 -72.4 -64.4 -3.6 -0.4 -2.3 16 44 A A H 3< S+ 0 0 29 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.842 109.7 62.5 -52.1 -36.6 -4.1 -1.8 1.2 17 45 A E H 3< S+ 0 0 148 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.931 114.4 31.2 -56.0 -48.7 -5.2 -5.1 -0.4 18 46 A S H << S+ 0 0 64 -4,-1.2 2,-3.0 -3,-0.6 -1,-0.2 0.764 100.5 87.6 -80.7 -27.3 -1.8 -5.5 -2.1 19 47 A A S < S+ 0 0 3 -4,-2.9 -1,-0.2 -5,-0.1 2,-0.1 -0.344 81.8 65.9 -72.0 64.6 -0.0 -3.8 0.8 20 48 A G S S- 0 0 41 -2,-3.0 -1,-0.1 -3,-0.0 6,-0.0 -0.392 79.3-128.1 173.6 103.2 0.3 -7.1 2.7 21 49 A L - 0 0 24 -2,-0.1 -2,-0.0 1,-0.1 -3,-0.0 -0.250 24.7-128.8 -57.3 141.6 2.3 -10.2 1.9 22 50 A P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.982 52.9 -77.6 -56.4 -82.5 0.2 -13.4 2.1 23 51 A R S >> S+ 0 0 168 3,-0.0 4,-2.0 0, 0.0 3,-1.0 0.309 119.7 50.2-148.6 -68.6 2.1 -15.8 4.4 24 52 A D H 3> S+ 0 0 108 1,-0.3 4,-1.0 2,-0.2 5,-0.2 0.845 107.3 60.9 -52.1 -37.0 5.2 -17.6 2.9 25 53 A Q H 3> S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.884 106.5 45.3 -59.2 -39.9 6.4 -14.2 1.7 26 54 A H H <>>S+ 0 0 92 -3,-1.0 4,-2.1 1,-0.2 5,-0.8 0.921 104.2 60.7 -70.1 -45.3 6.6 -12.9 5.2 27 55 A E H <5S+ 0 0 99 -4,-2.0 4,-0.3 3,-0.2 -1,-0.2 0.749 117.1 34.7 -53.9 -24.1 8.3 -16.0 6.6 28 56 A F H X>S+ 0 0 21 -4,-1.0 5,-3.0 -3,-0.3 4,-2.8 0.892 117.9 46.2 -95.1 -58.9 11.1 -15.2 4.2 29 57 A V H <5S+ 0 0 2 -4,-2.7 -2,-0.2 3,-0.2 -3,-0.2 0.622 130.5 28.2 -61.3 -13.0 11.2 -11.4 4.1 30 58 A S T <5S+ 0 0 55 -4,-2.1 -1,-0.2 -5,-0.2 -3,-0.2 0.677 133.1 30.5-117.4 -34.3 11.0 -11.4 7.9 31 59 A S T 4> - 0 0 87 0, 0.0 3,-2.1 0, 0.0 4,-1.7 -0.240 36.2 -99.9 -70.4 160.3 18.5 -9.6 5.4 35 63 A Q H 3> S+ 0 0 144 1,-0.3 4,-3.5 2,-0.2 5,-0.5 0.856 124.2 62.3 -47.0 -40.7 17.7 -6.6 7.7 36 64 A S H 3> S+ 0 0 88 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.834 107.9 43.2 -56.1 -33.2 18.0 -4.4 4.6 37 65 A L H <> S+ 0 0 38 -3,-2.1 4,-0.7 2,-0.2 -1,-0.3 0.774 116.8 47.3 -82.9 -29.1 15.1 -6.3 3.2 38 66 A R H X S+ 0 0 99 -4,-1.7 4,-1.4 2,-0.2 3,-0.4 0.947 112.4 45.4 -77.1 -53.0 13.2 -6.2 6.5 39 67 A N H X S+ 0 0 84 -4,-3.5 4,-1.3 1,-0.3 -3,-0.2 0.862 114.8 50.2 -59.8 -36.2 13.6 -2.6 7.4 40 68 A R H X S+ 0 0 68 -4,-0.9 4,-2.0 -5,-0.5 5,-0.3 0.768 101.6 65.6 -73.2 -25.4 12.7 -1.6 3.8 41 69 A Y H X S+ 0 0 28 -4,-0.7 4,-1.2 -3,-0.4 -2,-0.2 0.978 109.6 33.4 -59.4 -60.0 9.6 -3.8 4.0 42 70 A N H X S+ 0 0 99 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.786 112.9 67.2 -67.7 -27.9 7.8 -1.8 6.6 43 71 A N H >X S+ 0 0 106 -4,-1.3 4,-1.2 -5,-0.3 3,-0.5 0.984 102.7 40.6 -55.9 -66.1 9.4 1.4 5.2 44 72 A L H 3X S+ 0 0 12 -4,-2.0 4,-0.9 1,-0.3 3,-0.3 0.838 118.9 49.8 -52.9 -34.6 7.5 1.4 1.9 45 73 A Y H 3X S+ 0 0 56 -4,-1.2 4,-2.9 -5,-0.3 5,-0.3 0.826 96.5 69.3 -74.5 -32.1 4.4 0.3 3.8 46 74 A S H X S+ 0 0 0 -4,-1.0 3,-1.4 2,-0.2 4,-1.1 0.925 102.2 53.4 -79.0 -48.1 -1.7 7.4 2.6 52 80 A L H 3X S+ 0 0 18 -4,-2.2 4,-2.1 1,-0.3 3,-0.4 0.845 100.0 64.9 -55.5 -34.8 -4.8 5.2 2.8 53 81 A D H 3< S+ 0 0 100 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.841 100.0 51.7 -57.6 -34.0 -5.9 7.2 5.8 54 82 A M H X> S+ 0 0 34 -3,-1.4 4,-0.6 -4,-0.5 3,-0.6 0.817 108.1 53.0 -72.6 -31.5 -6.2 10.3 3.6 55 83 A A H >< S+ 0 0 0 -4,-1.1 2,-1.9 -3,-0.4 3,-0.6 0.988 109.4 44.5 -67.1 -61.8 -8.3 8.3 1.1 56 84 A D T 3< S+ 0 0 45 -4,-2.1 8,-0.3 1,-0.2 -1,-0.3 -0.343 102.3 75.0 -82.2 57.1 -11.0 7.1 3.6 57 85 A M T <4 S+ 0 0 40 -2,-1.9 -1,-0.2 -3,-0.6 -2,-0.1 0.590 77.1 61.8-130.2 -49.6 -11.3 10.5 5.3 58 86 A Q S << S+ 0 0 52 -4,-0.6 2,-3.0 -3,-0.6 3,-0.2 0.725 78.0 100.0 -56.3 -22.3 -13.2 12.9 3.0 59 87 A H > + 0 0 4 -4,-0.3 4,-2.3 1,-0.2 3,-0.2 -0.356 48.1 173.1 -67.7 71.2 -16.1 10.4 3.4 60 88 A R T 4 S+ 0 0 170 -2,-3.0 5,-0.3 1,-0.3 -1,-0.2 0.744 81.3 44.3 -52.2 -24.6 -17.8 12.6 6.0 61 89 A Y T 4 S+ 0 0 222 -3,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.813 125.6 29.0 -90.3 -36.0 -20.8 10.1 5.7 62 90 A M T 4 S+ 0 0 113 -3,-0.2 -2,-0.2 -5,-0.0 2,-0.1 0.923 128.8 18.1 -89.2 -56.6 -18.8 6.9 5.7 63 91 A T S < S- 0 0 46 -4,-2.3 2,-1.0 -6,-0.1 -6,-0.1 -0.261 100.2 -71.9-103.5-167.7 -15.6 7.7 7.7 64 92 A G + 0 0 42 -8,-0.3 -4,-0.2 1,-0.1 -5,-0.1 -0.762 44.5 171.0 -95.0 97.8 -14.8 10.4 10.2 65 93 A A + 0 0 11 -2,-1.0 3,-0.2 -5,-0.3 -5,-0.1 -0.100 56.5 86.0 -94.3 34.5 -14.3 13.7 8.3 66 94 A S S S+ 0 0 106 1,-0.2 2,-2.9 -6,-0.0 -6,-0.0 0.550 89.8 17.4 -99.5-114.4 -14.1 15.7 11.6 67 95 A G S S+ 0 0 89 3,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.328 97.1 126.8 -63.2 75.0 -10.9 16.2 13.5 68 96 A I - 0 0 43 -2,-2.9 -3,-0.1 1,-0.3 3,-0.1 -0.575 64.4 -47.4-121.4-175.1 -8.6 15.2 10.6 69 97 A N S S- 0 0 49 -2,-0.2 2,-3.3 1,-0.2 -1,-0.3 0.092 77.6 -78.2 -47.2 166.7 -5.7 16.7 8.7 70 98 A P S S- 0 0 134 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.222 87.0 -72.7 -68.7 55.2 -5.9 20.4 7.5 71 99 A G - 0 0 61 -2,-3.3 2,-0.3 1,-0.1 -2,-0.0 0.899 63.4-159.4 53.5 104.4 -8.1 19.4 4.6 72 100 A M - 0 0 22 -3,-0.1 -1,-0.1 -18,-0.1 5,-0.0 -0.739 24.8 -94.1-112.0 161.1 -6.2 17.6 1.9 73 101 A L >> - 0 0 81 -2,-0.3 3,-2.7 1,-0.1 4,-0.6 -0.561 26.0-132.3 -75.9 132.6 -7.0 17.0 -1.8 74 102 A P H 3> S+ 0 0 24 0, 0.0 4,-0.8 0, 0.0 3,-0.2 0.679 108.9 58.6 -56.5 -17.4 -8.8 13.7 -2.6 75 103 A H H 3> S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.541 87.9 74.6 -89.6 -8.8 -6.3 13.3 -5.4 76 104 A E H <> S+ 0 0 91 -3,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.840 99.3 44.1 -71.3 -33.8 -3.3 13.4 -2.9 77 105 A N H X S+ 0 0 0 -4,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.916 110.0 53.2 -76.6 -46.3 -4.1 9.9 -1.6 78 106 A V H X S+ 0 0 31 -4,-0.8 4,-1.6 2,-0.2 5,-0.2 0.877 108.7 52.3 -56.9 -39.6 -4.7 8.3 -5.1 79 107 A D H X S+ 0 0 69 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.974 112.5 41.6 -61.4 -57.2 -1.3 9.6 -6.2 80 108 A D H X S+ 0 0 51 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.751 107.7 69.3 -62.4 -23.3 0.7 8.2 -3.3 81 109 A M H >X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 3,-1.0 0.989 100.9 39.9 -58.1 -66.2 -1.5 5.0 -3.7 82 110 A R H 3X S+ 0 0 141 -4,-1.6 4,-1.1 1,-0.3 -1,-0.2 0.746 111.2 63.6 -56.6 -23.0 -0.1 3.8 -7.0 83 111 A S H 3X S+ 0 0 54 -4,-1.1 4,-0.9 -5,-0.2 -1,-0.3 0.900 101.4 48.3 -68.8 -41.1 3.3 4.9 -5.6 84 112 A A H XX S+ 0 0 6 -4,-1.8 4,-2.7 -3,-1.0 3,-1.0 0.929 108.7 52.5 -65.0 -45.9 3.1 2.3 -2.8 85 113 A I H 3X S+ 0 0 37 -4,-1.7 4,-3.8 1,-0.3 5,-0.4 0.786 99.8 65.7 -61.2 -26.0 2.1 -0.5 -5.2 86 114 A T H 3X S+ 0 0 85 -4,-1.1 4,-1.0 -5,-0.2 -1,-0.3 0.881 110.7 35.0 -63.1 -37.1 5.1 0.5 -7.3 87 115 A D H S+ 0 0 1 -4,-1.1 4,-3.4 -3,-0.4 5,-0.6 0.854 98.1 65.9 -73.8 -36.2 8.6 -6.8 -4.2 92 120 A R H X5S+ 0 0 152 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.911 113.7 31.3 -51.3 -47.6 6.0 -9.4 -5.4 93 121 A E H X5S+ 0 0 112 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.823 123.8 49.2 -80.8 -33.9 8.4 -10.5 -8.1 94 122 A A H X5S+ 0 0 40 -4,-1.7 4,-3.5 -5,-0.2 5,-0.3 0.982 111.7 44.9 -69.0 -59.9 11.5 -9.8 -6.1 95 123 A L H X5S+ 0 0 3 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.901 113.1 52.6 -51.2 -46.4 10.6 -11.6 -2.9 96 124 A Q H XXS+ 0 0 74 -4,-1.0 4,-1.2 -5,-0.6 5,-0.9 0.900 114.9 41.6 -58.0 -42.6 9.3 -14.6 -4.8 97 125 A H H X5S+ 0 0 94 -4,-1.5 4,-0.7 -3,-0.2 3,-0.5 0.954 116.0 47.1 -70.2 -52.1 12.6 -14.8 -6.7 98 126 A A H <5S+ 0 0 73 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.851 105.7 62.1 -58.4 -35.9 14.8 -14.2 -3.7 99 127 A M H <5S- 0 0 63 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.906 132.2 -82.7 -57.5 -43.8 12.8 -16.7 -1.7 100 128 A G H <5S+ 0 0 64 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.520 89.6 110.7 141.3 38.5 13.8 -19.5 -4.1 101 129 A I << - 0 0 66 -5,-0.9 2,-0.4 -4,-0.7 -1,-0.2 -0.927 47.1-146.1-134.3 158.5 11.6 -19.5 -7.1 102 130 A H - 0 0 144 -2,-0.3 2,-0.3 -4,-0.0 -5,-0.0 -0.989 11.1-156.2-130.0 128.1 11.9 -18.7 -10.8 103 131 A A - 0 0 52 -2,-0.4 2,-0.4 -10,-0.1 -10,-0.0 -0.688 5.7-153.4-101.1 154.8 9.2 -17.1 -13.1 104 132 A D 0 0 154 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 -0.717 360.0 360.0-129.6 82.0 8.9 -17.4 -16.9 105 133 A I 0 0 197 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 0.855 360.0 360.0 -96.4 360.0 7.1 -14.4 -18.3