==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 31-AUG-04 1XC0 . COMPND 2 MOLECULE: PARDAXIN P-4; . SOURCE 2 SYNTHETIC: YES; . AUTHOR F.PORCELLI,B.BUCK,D.-K.LEE,K.J.HALLOCK,A.RAMAMOORTHY, . 33 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 23 69.7 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 15.2 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 0 0 0 1 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 G 0 0 103 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.4 1.4 16.2 -2.9 2 2 A F - 0 0 172 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.205 360.0 -33.3-160.3 -59.5 0.3 19.3 -0.8 3 3 A F S S- 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.524 104.4 -48.8-147.2 -38.6 2.8 20.3 1.9 4 4 A A S S+ 0 0 65 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.199 126.4 24.6-173.1 -48.2 4.7 17.4 3.6 5 5 A L S >> S+ 0 0 70 1,-0.1 3,-3.8 2,-0.1 4,-2.9 0.461 79.9 110.6-116.3 -3.9 2.6 14.5 4.8 6 6 A I H 3> S+ 0 0 31 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.862 83.1 53.0 -39.9 -41.7 -0.5 14.8 2.4 7 7 A P H 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 8,-0.1 0.694 115.8 40.2 -70.0 -15.1 0.8 11.6 0.7 8 8 A K H X4 S+ 0 0 117 -3,-3.8 3,-2.5 2,-0.1 4,-0.2 0.765 103.7 64.8-101.5 -30.6 0.9 9.9 4.2 9 9 A I H >< S+ 0 0 106 -4,-2.9 3,-0.7 1,-0.3 -3,-0.2 0.873 99.2 56.9 -60.6 -30.0 -2.4 11.4 5.6 10 10 A I T 3<>S+ 0 0 48 -4,-1.3 5,-0.9 -5,-0.4 4,-0.3 0.294 70.9 116.6 -83.9 17.4 -4.1 9.4 2.8 11 11 A S T X >S+ 0 0 58 -3,-2.5 5,-2.3 3,-0.3 3,-0.8 0.931 82.3 42.8 -50.3 -41.5 -2.4 6.2 4.3 12 12 A S T < 5S+ 0 0 92 -3,-0.7 4,-0.2 -4,-0.2 -1,-0.2 0.993 123.0 35.5 -67.8 -58.5 -6.0 5.0 5.0 13 13 A P T 3 5S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.064 140.2 15.9 -82.2 26.8 -7.4 6.1 1.6 14 14 A L T X>5S+ 0 0 83 -3,-0.8 4,-1.7 -4,-0.3 3,-1.0 0.270 119.5 51.2-158.6 -59.2 -4.1 5.2 -0.2 15 15 A F H 3> S+ 0 0 76 -3,-1.0 4,-3.3 -6,-0.3 -1,-0.2 0.921 111.5 43.6 -84.3 -45.1 -4.4 -0.1 -1.3 18 18 A L H X S+ 0 0 91 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.876 118.2 48.9 -64.3 -29.7 -0.7 -0.4 -1.6 19 19 A L H X S+ 0 0 83 -4,-4.3 4,-5.0 2,-0.2 5,-0.3 0.947 109.5 48.1 -74.8 -44.8 -1.1 -2.6 1.4 20 20 A S H X S+ 0 0 72 -4,-2.8 4,-0.9 -5,-0.3 -2,-0.2 0.915 114.1 50.4 -60.3 -34.0 -3.9 -4.6 -0.3 21 21 A A H X S+ 0 0 47 -4,-3.3 4,-2.3 2,-0.2 3,-0.4 0.956 115.3 40.1 -66.6 -47.2 -1.4 -4.7 -3.2 22 22 A V H X>S+ 0 0 52 -4,-3.0 4,-3.9 2,-0.3 5,-0.9 0.925 108.3 60.8 -68.5 -40.8 1.3 -5.9 -0.9 23 23 A G H <5S+ 0 0 35 -4,-5.0 5,-0.4 1,-0.3 4,-0.3 0.812 115.9 36.3 -57.0 -22.5 -1.2 -8.2 0.9 24 24 A S H <>S+ 0 0 66 -4,-0.9 5,-3.3 -3,-0.4 -2,-0.3 0.740 119.3 47.9 -99.7 -27.5 -1.5 -9.7 -2.6 25 25 A A H <5S+ 0 0 45 -4,-2.3 -2,-0.2 3,-0.2 -3,-0.2 0.714 128.9 24.8 -84.7 -20.5 2.2 -9.3 -3.6 26 26 A L T <>S+ 0 0 131 -4,-3.9 5,-0.8 -5,-0.2 -3,-0.2 0.739 132.2 36.7-111.0 -40.6 3.4 -10.8 -0.3 27 27 A S T 5S+ 0 0 75 -5,-0.4 4,-1.8 -6,-0.3 5,-0.4 0.894 131.7 38.8 -94.3 -59.7 -0.4 -14.1 -2.8 29 29 A S T 4