==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 28-OCT-09 2KQ5 . COMPND 2 MOLECULE: AVIRULENCE PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.L.NEVES,M.L.SFORCA,M.T.MURAKAMI,C.E.BENEDETTI,A.C.ZERI . 51 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 68.6 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 . 1 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 5.9 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 1 1 1 1 0 0 0 0 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 E 0 0 232 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 150.2 -13.9 -4.1 3.9 2 2 A Q >> - 0 0 115 1,-0.1 4,-2.3 0, 0.0 3,-2.1 -0.984 360.0-105.3-154.7 159.4 -10.4 -5.4 4.3 3 3 A V H 3> S+ 0 0 75 -2,-0.3 4,-1.9 1,-0.3 5,-0.3 0.818 120.2 58.7 -56.2 -31.7 -7.3 -5.1 6.5 4 4 A V H 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.639 112.7 40.1 -73.6 -13.3 -5.7 -2.9 3.9 5 5 A A H <> S+ 0 0 49 -3,-2.1 4,-1.0 2,-0.1 -2,-0.2 0.733 113.1 51.4-103.8 -33.3 -8.6 -0.5 4.2 6 6 A I H X S+ 0 0 91 -4,-2.3 4,-1.3 2,-0.2 3,-0.3 0.936 111.2 47.3 -70.8 -46.2 -9.2 -0.6 8.0 7 7 A A H X S+ 0 0 39 -4,-1.9 4,-2.8 1,-0.2 3,-0.3 0.898 112.7 49.8 -61.6 -40.2 -5.5 0.1 8.8 8 8 A S H > S+ 0 0 10 -5,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.744 104.7 59.0 -71.1 -23.6 -5.5 3.0 6.2 9 9 A N H < S+ 0 0 132 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.810 112.5 39.8 -73.7 -29.9 -8.7 4.3 7.8 10 10 A I H < S+ 0 0 137 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.1 0.902 122.6 39.1 -83.9 -46.8 -6.9 4.7 11.1 11 11 A G H < S- 0 0 39 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.879 96.7-136.7 -72.1 -39.6 -3.5 5.9 9.7 12 12 A G S < S+ 0 0 63 -4,-2.2 2,-0.5 -5,-0.2 -3,-0.1 0.459 76.1 97.7 95.8 1.5 -5.1 8.1 7.1 13 13 A K > + 0 0 85 -6,-0.2 4,-3.4 1,-0.2 5,-0.4 -0.801 45.6 179.7-126.0 89.2 -2.6 7.1 4.4 14 14 A Q H > S+ 0 0 146 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.907 84.4 48.7 -54.2 -47.6 -4.1 4.4 2.2 15 15 A A H > S+ 0 0 21 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.812 118.7 39.6 -65.7 -30.6 -1.1 4.1 -0.1 16 16 A L H > S+ 0 0 70 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.861 117.1 46.6 -88.0 -38.9 1.3 3.8 2.9 17 17 A E H X S+ 0 0 28 -4,-3.4 4,-1.3 1,-0.2 -2,-0.2 0.855 111.3 53.1 -71.8 -33.7 -0.9 1.6 5.1 18 18 A T H X S+ 0 0 24 -4,-2.3 4,-2.9 -5,-0.4 -1,-0.2 0.861 106.5 52.3 -70.6 -33.6 -1.6 -0.8 2.3 19 19 A V H < S+ 0 0 8 -4,-0.8 4,-0.4 -5,-0.2 -1,-0.2 0.833 110.9 47.3 -72.4 -30.4 2.0 -1.3 1.5 20 20 A Q H < S+ 0 0 120 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.751 117.1 44.0 -80.4 -24.3 2.8 -2.2 5.1 21 21 A R H < S+ 0 0 100 -4,-1.3 4,-0.5 1,-0.1 -2,-0.2 0.863 118.0 41.3 -86.9 -40.5 -0.1 -4.5 5.2 22 22 A L S X S+ 0 0 33 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.485 93.2 92.2 -85.5 -3.0 0.4 -6.2 1.8 23 23 A L H > S+ 0 0 66 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.964 91.5 36.3 -55.9 -59.2 4.2 -6.3 2.4 24 24 A P H > S+ 0 0 63 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.844 116.8 57.2 -64.9 -31.3 4.2 -9.8 4.0 25 25 A V H > S+ 0 0 70 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.978 113.5 34.6 -63.3 -58.3 1.5 -11.0 1.6 26 26 A L H X>S+ 0 0 37 -4,-2.8 5,-2.9 1,-0.2 4,-1.7 0.754 117.4 56.8 -70.4 -23.5 3.3 -10.2 -1.6 27 27 A C H <5S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.829 113.3 38.7 -76.3 -32.6 6.6 -11.1 0.0 28 28 A Q H <5S+ 0 0 168 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.880 119.5 45.5 -83.7 -41.0 5.4 -14.6 0.9 29 29 A A H <5S- 0 0 75 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.850 145.1 -12.0 -70.9 -36.0 3.4 -15.2 -2.3 30 30 A H T <5S- 0 0 157 -4,-1.7 -3,-0.2 -5,-0.2 -4,-0.1 0.591 74.9-138.6-129.0 -60.3 6.2 -13.9 -4.5 31 31 A G S - 0 0 8 -7,-0.7 3,-1.1 1,-0.1 4,-0.1 0.999 13.2-168.8 59.9 74.0 6.8 -7.2 -3.2 34 34 A P T >> S+ 0 0 44 0, 0.0 4,-3.6 0, 0.0 3,-1.9 0.692 75.4 80.2 -65.4 -18.4 5.7 -4.9 -6.1 35 35 A E H 3>>S+ 0 0 40 1,-0.3 5,-1.5 2,-0.2 4,-0.5 0.885 88.5 52.5 -57.5 -40.1 3.6 -3.0 -3.6 36 36 A Q H <45S+ 0 0 116 -3,-1.1 -1,-0.3 3,-0.2 -3,-0.1 0.483 119.4 38.5 -76.5 0.7 6.7 -1.1 -2.4 37 37 A V H <>5S+ 0 0 82 -3,-1.9 4,-1.2 -4,-0.1 -2,-0.2 0.760 127.0 26.2-112.6 -53.9 7.3 -0.3 -6.1 38 38 A V H X5S+ 0 0 79 -4,-3.6 4,-2.1 2,-0.2 -3,-0.2 0.958 126.2 42.3 -79.7 -53.5 3.9 0.4 -7.7 39 39 A A H X5S+ 0 0 16 -4,-0.5 4,-1.1 -5,-0.4 -3,-0.2 0.917 117.4 48.2 -61.3 -44.7 1.8 1.6 -4.7 40 40 A I H >>S+ 0 0 68 -4,-2.1 5,-3.5 1,-0.2 -1,-0.2 0.813 116.4 31.1 -65.4 -29.5 1.6 6.0 -7.1 43 43 A H H X<5S+ 0 0 38 -4,-1.1 3,-0.8 -3,-0.8 -2,-0.2 0.874 127.1 39.2 -93.8 -47.7 1.8 8.2 -4.0 44 44 A D H 3<5S+ 0 0 107 -4,-3.4 2,-0.4 1,-0.2 -3,-0.2 0.986 128.4 31.0 -67.6 -58.0 5.3 9.6 -4.3 45 45 A G T 3<5S+ 0 0 68 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.229 141.3 9.1 -96.0 45.2 5.4 10.0 -8.1 46 46 A G T X 5S+ 0 0 46 -3,-0.8 2,-1.9 -2,-0.4 3,-0.5 -0.235 123.2 40.5-172.9 -88.3 1.8 10.8 -8.4 47 47 A K T 3 S+ 0 0 87 -2,-1.9 3,-1.6 -4,-0.2 -1,-0.2 0.754 84.1 39.0-110.0 -55.4 1.8 13.4 -3.4 49 49 A A T < S+ 0 0 94 -3,-0.5 -2,-0.1 1,-0.3 -5,-0.1 0.613 120.3 51.3 -71.5 -11.9 0.9 17.1 -4.2 50 50 A L T 3 0 0 130 -4,-0.3 -1,-0.3 1,-0.2 -3,-0.1 0.040 360.0 360.0-111.0 22.1 -2.7 15.9 -4.1 51 51 A E < 0 0 139 -3,-1.6 -1,-0.2 -8,-0.1 -2,-0.0 -0.488 360.0 360.0-152.0 360.0 -2.4 14.2 -0.8