==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHEROMONE 30-MAR-01 1HA8 . COMPND 2 MOLECULE: PHEROMONE; . SOURCE 2 ORGANISM_SCIENTIFIC: EUPLOTES RAIKOVI; . AUTHOR R.ZAHN,F.DAMBERGER,P.LUPORINI,K.WUTHRICH . 51 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 52.9 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 . 4 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 29.4 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 1 0 0 2 0 0 0 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 G > 0 0 68 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.0 -7.6 -6.6 -2.3 2 2 A E H > + 0 0 116 2,-0.2 4,-1.7 1,-0.2 22,-0.2 0.875 360.0 41.4 -70.6 -39.1 -7.4 -4.8 1.1 3 3 A a H > S+ 0 0 2 20,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 114.4 52.5 -77.5 -40.3 -5.1 -2.1 -0.2 4 4 A E H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.895 107.2 53.4 -57.4 -43.6 -7.1 -1.9 -3.5 5 5 A Q H X S+ 0 0 148 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 109.5 47.7 -57.8 -48.5 -10.3 -1.4 -1.4 6 6 A b H <>S+ 0 0 29 -4,-1.7 5,-2.3 1,-0.2 -1,-0.2 0.885 111.4 51.7 -60.3 -40.3 -8.7 1.5 0.5 7 7 A F H ><5S+ 0 0 56 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.931 108.1 49.8 -61.4 -48.9 -7.5 3.0 -2.9 8 8 A S H 3<5S+ 0 0 106 -4,-2.7 2,-0.8 1,-0.3 -2,-0.2 0.903 101.9 64.8 -59.6 -36.4 -11.1 2.7 -4.4 9 9 A D T 3<5S- 0 0 144 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.038 128.8 -97.5 -78.7 37.1 -12.3 4.5 -1.2 10 10 A G T < 5S+ 0 0 63 -3,-1.0 -3,-0.2 -2,-0.8 -2,-0.2 0.461 77.8 147.0 67.8 3.4 -10.2 7.6 -2.3 11 11 A G < + 0 0 7 -5,-2.3 -1,-0.2 -6,-0.2 5,-0.1 -0.462 23.7 178.7 -77.4 144.9 -7.2 6.7 -0.1 12 12 A D - 0 0 104 -2,-0.1 -1,-0.1 34,-0.0 35,-0.1 0.680 57.6 -56.8-102.2 -94.3 -3.6 7.5 -1.2 13 13 A c S >> S+ 0 0 35 3,-0.1 4,-2.9 33,-0.1 3,-1.0 0.728 127.6 37.1-126.3 -65.3 -0.8 6.6 1.2 14 14 A T H 3> S+ 0 0 127 1,-0.3 4,-2.3 2,-0.2 2,-1.0 0.959 112.9 58.9 -58.8 -51.1 -1.1 8.2 4.7 15 15 A T H 34 S+ 0 0 101 1,-0.2 -1,-0.3 2,-0.2 -4,-0.0 0.004 118.8 29.8 -80.9 36.1 -4.9 7.8 4.7 16 16 A b H <4 S+ 0 0 5 -2,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.234 111.8 61.4-149.7 -52.8 -4.6 4.0 4.3 17 17 A F H >X>S- 0 0 52 -4,-2.9 5,-2.1 5,-0.2 4,-0.8 0.819 74.9-172.5 -49.3 -41.9 -1.2 3.3 6.1 18 18 A N T 3<5S- 0 0 113 -4,-2.3 3,-0.3 1,-0.3 -1,-0.1 0.801 70.7 -57.1 56.2 33.7 -2.8 4.7 9.3 19 19 A N T 345S- 0 0 146 -5,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.965 108.7 -39.8 46.2 62.3 0.7 4.5 10.9 20 20 A G T <45S+ 0 0 46 -3,-0.5 -1,-0.2 4,-0.2 -2,-0.2 0.364 127.7 79.5 90.4 4.7 1.4 0.8 10.4 21 21 A T T <5S+ 0 0 110 -4,-0.8 -3,-0.2 -3,-0.3 4,-0.1 0.386 72.1 103.6-116.1 -4.5 -2.0 -0.8 11.1 22 22 A G S S+ 0 0 26 0, 0.0 2,-2.0 0, 0.0 3,-0.6 0.994 124.6 41.6 -72.5 -65.3 -4.3 -2.3 4.7 24 24 A a T 3 S+ 0 0 0 -22,-0.2 -2,-0.2 1,-0.2 -4,-0.2 -0.615 91.3 105.0 -74.1 77.9 -1.2 -1.3 2.7 25 25 A A T >> S+ 0 0 10 -2,-2.0 3,-1.6 -3,-0.4 4,-1.0 0.576 76.7 42.1-121.6 -52.9 0.9 -1.4 5.9 26 26 A N T <4 S+ 0 0 104 -3,-0.6 4,-0.3 -4,-0.3 -2,-0.1 0.845 105.6 69.9 -63.7 -26.8 2.9 -4.6 5.6 27 27 A d T 34 S+ 0 0 4 -4,-0.4 -1,-0.3 1,-0.2 4,-0.1 0.304 101.0 49.4 -63.1 4.4 3.4 -3.5 2.0 28 28 A L T <4 S+ 0 0 25 -3,-1.6 3,-0.5 2,-0.1 -2,-0.2 0.782 116.4 26.5-114.2 -58.2 5.6 -0.6 3.4 29 29 A A S < S+ 0 0 95 -4,-1.0 2,-1.9 1,-0.3 -3,-0.1 0.976 133.1 30.9 -72.3 -74.7 8.2 -1.9 5.8 30 30 A G S S+ 0 0 56 -4,-0.3 -1,-0.3 1,-0.2 3,-0.2 -0.496 84.5 134.9 -83.5 70.4 8.7 -5.5 4.6 31 31 A Y > + 0 0 65 -2,-1.9 3,-0.9 -3,-0.5 4,-0.4 -0.120 13.4 121.1-118.9 49.8 8.0 -4.7 1.0 32 32 A P T 3 S+ 0 0 116 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.898 91.9 34.0 -78.0 -34.1 10.6 -6.5 -1.1 33 33 A A T 3 S+ 0 0 59 -3,-0.2 4,-0.4 1,-0.2 -2,-0.1 0.219 92.2 100.3 -93.8 1.6 7.9 -8.4 -3.0 34 34 A G S < S+ 0 0 5 -3,-0.9 10,-0.2 1,-0.2 -1,-0.2 0.779 82.7 46.4 -70.8 -25.6 5.4 -5.6 -2.8 35 35 A e S S+ 0 0 27 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.857 110.7 51.4 -80.5 -39.7 6.0 -4.4 -6.5 36 36 A S S S+ 0 0 106 -4,-0.2 -2,-0.2 4,-0.0 -1,-0.2 0.467 104.5 78.7 -74.6 -3.4 5.8 -8.0 -7.9 37 37 A N S S- 0 0 76 -4,-0.4 -3,-0.1 1,-0.1 0, 0.0 -0.040 73.5-146.8 -77.2-170.3 2.5 -8.3 -6.0 38 38 A S S > S+ 0 0 86 3,-0.1 4,-1.0 -2,-0.0 3,-0.3 0.538 88.4 52.3-121.7 -47.8 -0.8 -6.8 -7.2 39 39 A D T 4 S+ 0 0 38 1,-0.3 4,-0.4 2,-0.2 3,-0.1 0.871 122.9 32.3 -61.0 -37.9 -2.8 -5.7 -4.2 40 40 A d T > S+ 0 0 8 1,-0.1 4,-2.4 -6,-0.1 -1,-0.3 0.760 105.8 80.4 -75.9 -32.1 0.1 -3.6 -2.8 41 41 A T H > S+ 0 0 34 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.796 86.6 46.2 -66.1 -44.8 1.5 -2.7 -6.1 42 42 A A H X S+ 0 0 50 -4,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.956 115.2 50.0 -66.6 -44.3 -0.5 0.2 -7.4 43 43 A F H > S+ 0 0 1 -4,-0.4 4,-2.3 1,-0.2 3,-0.4 0.938 113.8 44.9 -49.4 -56.3 -0.3 1.9 -4.0 44 44 A L H X>S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-1.6 0.873 103.9 63.1 -64.7 -35.7 3.5 1.4 -4.0 45 45 A S H <5S+ 0 0 64 -4,-2.8 -1,-0.2 4,-0.3 -2,-0.2 0.905 118.7 29.6 -51.4 -44.1 3.8 2.6 -7.7 46 46 A Q H <5S+ 0 0 107 -4,-2.0 3,-0.4 -3,-0.4 -2,-0.2 0.958 125.3 42.5 -68.9 -79.1 2.5 5.9 -6.3 47 47 A c H <5S+ 0 0 41 -4,-2.3 -3,-0.2 1,-0.3 -2,-0.2 0.473 137.4 8.8 -59.7 -18.1 3.8 6.0 -2.6 48 48 A Y T <5S- 0 0 96 -4,-2.8 -1,-0.3 -5,-0.3 -3,-0.2 0.457 106.7 -98.2-130.7 -19.4 7.3 4.7 -3.3 49 49 A G < - 0 0 44 -5,-1.6 -4,-0.3 -3,-0.4 -2,-0.1 0.042 62.0 -88.3 106.5 -17.4 7.7 4.6 -7.2 50 50 A G 0 0 25 -6,-1.2 -5,-0.2 1,-0.1 -1,-0.1 0.966 360.0 360.0 73.2 63.0 6.9 0.9 -7.3 51 51 A e 0 0 123 -7,-0.2 -2,-0.1 0, 0.0 -1,-0.1 0.866 360.0 360.0 51.2 360.0 10.5 -0.3 -6.8