==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 17-JUN-13 4L8H . COMPND 2 MOLECULE: COAT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE QBETA; . AUTHOR J.RUMNIEKS,K.TARS . 244 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 64.8 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 . 83 34.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 12 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 0 0 0 0 0 2 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 . 1 0 1 5 0 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 A 0 0 55 0, 0.0 246,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 151.0 -18.1 -24.2 5.7 2 2 A K - 0 0 145 244,-0.3 2,-0.1 1,-0.1 244,-0.1 -0.198 360.0 -98.1 -38.2 121.6 -17.4 -21.4 8.3 3 3 A L + 0 0 14 244,-3.5 2,-0.3 1,-0.0 -1,-0.1 -0.354 58.6 180.0 -49.9 124.6 -13.7 -20.4 8.3 4 4 A E - 0 0 135 -3,-0.1 231,-0.1 -2,-0.1 17,-0.1 -0.874 33.7 -76.1-138.9 154.3 -12.1 -22.4 11.2 5 5 A T - 0 0 62 -2,-0.3 2,-0.5 18,-0.1 17,-0.2 -0.304 43.9-150.4 -53.3 130.7 -8.8 -23.0 12.9 6 6 A V E -A 21 0A 13 15,-3.2 15,-4.3 227,-0.1 2,-0.6 -0.940 8.9-166.3-111.4 128.0 -6.5 -25.3 10.9 7 7 A T E -A 20 0A 94 -2,-0.5 2,-0.6 13,-0.3 13,-0.2 -0.936 2.7-170.4-116.2 107.9 -4.0 -27.5 12.7 8 8 A L E -A 19 0A 6 11,-3.6 11,-3.2 -2,-0.6 3,-0.3 -0.886 13.5-171.5-101.7 116.5 -1.2 -29.0 10.6 9 9 A G E + 0 0 37 -2,-0.6 9,-0.2 9,-0.3 7,-0.1 -0.647 53.6 28.1-111.4 163.1 0.8 -31.7 12.3 10 10 A N E S+ 0 0 134 7,-0.4 8,-0.2 -2,-0.2 6,-0.2 0.880 85.5 139.9 60.2 41.7 4.0 -33.7 11.7 11 11 A I E > +A 17 0A 3 6,-3.1 6,-3.0 -3,-0.3 5,-0.8 -0.484 19.2 65.2-109.7-177.0 5.5 -31.1 9.4 12 12 A G T > 5S- 0 0 2 209,-0.4 3,-1.5 210,-0.3 210,-0.1 0.005 99.4 -69.0 83.7 163.5 8.9 -29.6 8.9 13 13 A K T 3 5S+ 0 0 108 205,-0.3 -1,-0.1 1,-0.3 205,-0.0 0.899 139.1 50.0 -48.2 -48.9 12.0 -31.5 7.5 14 14 A D T 3 5S- 0 0 75 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.624 106.0-129.2 -59.2 -25.5 12.0 -33.5 10.8 15 15 A G T < 5S+ 0 0 28 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.746 84.5 101.0 73.4 26.2 8.2 -34.4 10.5 16 16 A K < + 0 0 180 -5,-0.8 2,-0.2 -6,-0.2 -4,-0.2 0.235 52.0 92.3-134.0 7.2 7.9 -33.1 14.1 17 17 A Q E -A 11 0A 87 -6,-3.0 -6,-3.1 -5,-0.1 -7,-0.4 -0.679 51.7-158.3-105.6 163.3 6.5 -29.6 13.9 18 18 A T E - 0 0 92 -2,-0.2 2,-0.4 -9,-0.2 -9,-0.3 -0.990 1.7-157.4-138.5 139.7 2.9 -28.5 14.0 19 19 A L E -A 8 0A 3 -11,-3.2 -11,-3.6 -2,-0.4 2,-0.6 -0.989 1.8-160.5-123.1 135.9 1.4 -25.3 12.8 20 20 A V E -A 7 0A 62 -2,-0.4 2,-0.5 -13,-0.2 18,-0.4 -0.981 10.5-164.4-114.8 111.4 -1.9 -23.9 14.1 21 21 A L E -A 6 0A 1 -15,-4.3 -15,-3.2 -2,-0.6 16,-0.2 -0.927 6.2-153.9-105.6 125.3 -3.4 -21.4 11.7 22 22 A N E -B 36 0B 46 14,-3.0 14,-2.3 -2,-0.5 -17,-0.1 -0.740 26.8 -93.9-100.0 145.1 -6.2 -19.2 13.1 23 23 A P E +B 35 0B 48 0, 0.0 12,-0.2 0, 0.0 -18,-0.1 -0.293 34.0 178.2 -53.2 127.4 -9.1 -17.6 11.2 24 24 A R E - 0 0 122 10,-3.2 11,-0.2 1,-0.3 -2,-0.0 -0.075 52.0 -95.9-124.9 29.6 -8.4 -14.0 10.0 25 25 A G E - 0 0 39 9,-0.2 9,-2.1 222,-0.1 2,-0.4 0.323 31.9 -87.2 81.8 155.4 -11.7 -13.5 8.2 26 26 A V E -B 33 0B 41 7,-0.2 7,-0.2 -3,-0.1 6,-0.1 -0.799 44.8-114.6 -95.6 139.2 -13.0 -13.8 4.7 27 27 A N > - 0 0 65 5,-1.9 4,-2.3 -2,-0.4 5,-0.2 -0.688 16.7-152.6 -76.6 118.9 -12.7 -10.7 2.6 28 28 A P T 4 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.863 92.9 53.3 -58.5 -38.3 -16.2 -9.2 1.7 29 29 A T T 4 S+ 0 0 134 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.967 129.0 7.7 -59.3 -58.4 -14.8 -7.7 -1.5 30 30 A N T 4 S- 0 0 97 2,-0.1 -1,-0.1 21,-0.0 -4,-0.0 0.327 92.4-114.0-118.6 4.4 -13.2 -10.8 -3.1 31 31 A G < + 0 0 37 -4,-2.3 2,-0.4 1,-0.2 21,-0.2 0.511 59.5 154.8 77.4 6.0 -14.1 -13.9 -1.1 32 32 A V - 0 0 35 -5,-0.2 -5,-1.9 19,-0.1 2,-0.5 -0.531 34.1-146.6 -78.0 121.7 -10.4 -14.5 0.0 33 33 A A E -BC 26 50B 3 17,-2.7 17,-2.1 -2,-0.4 2,-0.4 -0.743 13.8-159.6 -90.0 128.6 -10.1 -16.4 3.2 34 34 A S E + C 0 49B 43 -9,-2.1 -10,-3.2 -2,-0.5 2,-0.3 -0.893 14.0 171.8-110.3 136.9 -7.1 -15.5 5.5 35 35 A L E +BC 23 48B 1 13,-2.5 13,-2.0 -2,-0.4 2,-0.3 -0.947 5.9 172.4-133.0 159.0 -5.5 -17.6 8.2 36 36 A S E -BC 22 47B 6 -14,-2.3 -14,-3.0 -2,-0.3 11,-0.2 -0.990 32.9 -95.7-163.1 159.1 -2.3 -17.0 10.2 37 37 A Q - 0 0 57 9,-1.9 2,-0.2 -2,-0.3 -16,-0.1 -0.228 49.6 -97.2 -64.4 159.2 -0.2 -18.2 13.1 38 38 A A + 0 0 70 -18,-0.4 2,-0.3 2,-0.0 8,-0.2 -0.580 62.5 134.6 -75.4 147.7 -0.5 -16.6 16.5 39 39 A G - 0 0 51 -2,-0.2 6,-0.1 6,-0.1 3,-0.1 -0.919 64.6-105.0 174.5 165.3 2.1 -13.9 17.3 40 40 A A S S+ 0 0 112 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.666 105.2 43.6 -74.9 -22.1 3.3 -10.6 18.6 41 41 A V > - 0 0 78 1,-0.1 3,-1.4 -3,-0.1 -1,-0.2 -0.984 68.9-145.2-131.0 126.5 3.7 -9.0 15.1 42 42 A R T 3 S+ 0 0 80 -2,-0.4 3,-0.3 1,-0.2 -1,-0.1 0.646 101.6 53.4 -56.5 -17.1 1.4 -9.4 12.2 43 43 A A T 3 S+ 0 0 55 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.595 103.5 52.5-101.0 -13.7 4.4 -9.4 9.8 44 44 A L S < S+ 0 0 85 -3,-1.4 2,-0.4 2,-0.1 -1,-0.2 0.067 88.6 103.9-104.9 21.5 6.4 -12.2 11.4 45 45 A E S S- 0 0 18 -3,-0.3 2,-0.2 -6,-0.1 -6,-0.1 -0.866 78.2-113.6-105.2 138.7 3.5 -14.6 11.3 46 46 A K - 0 0 46 -2,-0.4 -9,-1.9 -8,-0.2 2,-0.3 -0.505 41.7-156.6 -64.0 127.8 3.2 -17.5 8.9 47 47 A R E -CD 36 69B 89 22,-3.4 22,-2.6 -2,-0.2 2,-0.3 -0.858 19.4-174.3-115.2 149.0 0.2 -16.9 6.5 48 48 A V E -CD 35 68B 0 -13,-2.0 -13,-2.5 -2,-0.3 2,-0.4 -0.994 4.8-171.5-130.1 142.7 -2.1 -18.9 4.3 49 49 A T E -CD 34 67B 36 18,-2.5 18,-2.2 -2,-0.3 2,-0.4 -0.999 2.2-171.5-131.0 143.7 -4.8 -17.6 2.0 50 50 A V E +CD 33 66B 7 -17,-2.1 -17,-2.7 -2,-0.4 2,-0.3 -0.970 6.3 173.0-129.3 144.8 -7.5 -19.7 0.1 51 51 A S E - D 0 65B 18 14,-1.3 14,-2.4 -2,-0.4 2,-0.4 -0.988 17.2-157.3-151.5 145.9 -10.0 -18.7 -2.6 52 52 A V E - D 0 64B 24 -2,-0.3 2,-0.5 -21,-0.2 12,-0.2 -0.994 13.4-158.2-119.6 122.2 -12.5 -20.5 -4.9 53 53 A S E - D 0 63B 30 10,-3.3 10,-1.7 -2,-0.4 3,-0.1 -0.920 6.9-148.2-102.9 128.6 -13.6 -18.8 -8.1 54 54 A Q - 0 0 136 -2,-0.5 7,-0.1 8,-0.2 5,-0.1 -0.549 31.2 -95.3 -80.2 152.0 -16.9 -19.8 -9.8 55 55 A P + 0 0 27 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.384 48.6 174.6 -62.0 147.6 -17.3 -19.7 -13.5 56 56 A S - 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