==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ENDONUCLEASE INHIBITOR 17-AUG-07 2JUB . COMPND 2 MOLECULE: INTERNAL PROTEIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR D.RIFAT,N.T.WRIGHT,K.M.VARNEY,D.J.WEBER,L.W.BLACK . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 53.9 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 . 14 18.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.3 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 . 1 1.3 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 . 5 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 0 1 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 1 2 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 . 1 1 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 A 0 0 131 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.8 52.7 5.5 16.2 2 2 A T > + 0 0 107 2,-0.1 4,-3.2 3,-0.1 5,-0.4 0.384 360.0 91.1-109.3 0.2 53.3 1.9 15.2 3 3 A L H >>S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 5,-0.5 0.958 89.0 46.7 -60.3 -49.8 52.8 2.4 11.5 4 4 A T H >5S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 5,-0.3 0.960 120.7 36.9 -60.4 -50.1 56.6 3.0 11.0 5 5 A S H >5S+ 0 0 49 -4,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.956 120.3 46.6 -68.4 -49.2 57.6 -0.1 13.1 6 6 A E H X5S+ 0 0 86 -4,-3.2 4,-1.4 2,-0.2 -3,-0.2 0.932 115.9 42.4 -61.1 -49.3 54.8 -2.4 12.0 7 7 A V H X5S+ 0 0 9 -4,-2.5 4,-1.4 -5,-0.4 -1,-0.2 0.943 113.5 50.1 -68.7 -45.8 55.0 -1.7 8.2 8 8 A I H <> - 0 0 19 5,-1.3 3,-1.4 -2,-0.5 4,-1.3 -0.778 6.6-166.4 -93.9 103.6 49.1 -5.8 4.3 22 22 A L T 34 S+ 0 0 65 -2,-1.0 -1,-0.2 1,-0.3 -15,-0.0 0.644 78.0 87.2 -64.7 -7.8 49.3 -7.2 7.9 23 23 A V T 34 S- 0 0 122 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.942 121.6 -5.3 -57.1 -43.5 46.1 -5.3 8.4 24 24 A D T <4 S- 0 0 91 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.153 103.4-113.7-134.4 14.0 44.3 -8.5 7.1 25 25 A G < + 0 0 56 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.942 60.7 148.5 49.3 89.2 47.3 -10.6 6.1 26 26 A E - 0 0 87 -5,-0.4 -5,-1.3 2,-0.0 2,-0.5 -0.997 49.5-116.1-151.8 145.8 47.0 -10.8 2.3 27 27 A E E -A 20 0A 159 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.698 27.7-178.8 -85.1 126.0 49.3 -11.0 -0.7 28 28 A I E > -A 19 0A 54 -9,-1.6 -9,-0.9 -2,-0.5 2,-0.8 -0.636 4.7-171.5-123.1 73.2 49.1 -7.9 -3.0 29 29 A K E 3 S+A 18 0A 169 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.530 74.6 47.1 -69.2 109.4 51.6 -8.6 -5.8 30 30 A G T 3 S+ 0 0 26 -13,-1.3 2,-0.3 -2,-0.8 -1,-0.2 0.476 92.3 91.5 132.2 21.6 51.6 -5.2 -7.7 31 31 A T < - 0 0 23 -14,-0.9 -1,-0.5 -3,-0.8 2,-0.4 -0.990 50.5-162.6-140.8 147.8 52.0 -2.7 -4.8 32 32 A V S S- 0 0 11 -2,-0.3 3,-0.1 -16,-0.1 -13,-0.1 -0.859 77.3 -40.4-136.5 101.7 55.1 -1.2 -3.1 33 33 A Y S >>>S+ 0 0 21 -2,-0.4 4,-0.9 1,-0.2 5,-0.8 0.833 97.5 151.5 51.4 28.5 54.7 0.4 0.3 34 34 A L T 345 + 0 0 83 1,-0.2 -1,-0.2 2,-0.1 18,-0.0 -0.724 55.4 25.0 -92.3 139.4 51.4 1.7 -1.1 35 35 A G T 345S+ 0 0 66 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.711 112.8 73.8 83.9 18.6 48.5 2.3 1.3 36 36 A D T <45S- 0 0 35 -3,-0.7 -2,-0.1 15,-0.1 16,-0.1 0.611 117.1 -72.6-127.2 -54.5 50.9 2.8 4.2 37 37 A G T <5 - 0 0 28 -4,-0.9 -3,-0.1 14,-0.3 13,-0.1 0.339 54.8-175.9 159.0 33.1 52.7 6.2 3.9 38 38 A W < + 0 0 166 -5,-0.8 2,-0.3 -6,-0.1 14,-0.2 -0.185 10.6 172.6 -50.3 139.0 55.2 6.0 1.0 39 39 A S E +B 50 0B 73 11,-1.1 11,-2.0 12,-0.2 2,-0.3 -0.981 6.1 143.5-151.1 135.5 57.2 9.2 0.8 40 40 A A E -B 49 0B 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 27.3-148.0-159.9 178.2 60.3 10.1 -1.4 41 41 A K E -B 48 0B 115 7,-1.7 7,-1.5 -2,-0.3 2,-0.7 -0.967 28.6-108.5-150.6 161.1 62.0 12.8 -3.5 42 42 A K E +B 47 0B 147 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.845 29.5 174.0-100.0 117.3 64.2 12.7 -6.6 43 43 A D - 0 0 104 3,-1.0 4,-0.1 -2,-0.7 -1,-0.1 0.621 56.5-100.7 -94.5 -12.5 67.9 13.5 -5.9 44 44 A G S S+ 0 0 55 2,-0.2 3,-0.0 21,-0.0 21,-0.0 0.744 100.2 12.7 93.8 98.2 68.9 12.8 -9.6 45 45 A A S S+ 0 0 81 19,-0.0 20,-0.7 20,-0.0 2,-0.2 0.449 130.1 51.5 85.5 1.1 70.5 9.4 -10.4 46 46 A T E S- C 0 64B 65 18,-0.2 -3,-1.0 19,-0.1 2,-0.3 -0.787 74.9-145.8-167.3 117.8 69.5 8.0 -7.0 47 47 A I E -BC 42 63B 13 16,-2.1 16,-0.8 -2,-0.2 2,-0.5 -0.704 7.8-149.7 -90.8 142.1 66.0 8.1 -5.3 48 48 A V E +BC 41 62B 43 -7,-1.5 -7,-1.7 -2,-0.3 2,-0.3 -0.920 28.9 160.5-108.8 125.3 65.6 8.6 -1.6 49 49 A I E -BC 40 61B 14 12,-1.9 12,-1.4 -2,-0.5 -9,-0.2 -0.997 33.3-147.8-146.9 144.1 62.5 6.9 -0.1 50 50 A S E -B 39 0B 16 -11,-2.0 -11,-1.1 -2,-0.3 10,-0.1 -0.943 26.5-130.2-110.4 124.5 61.3 5.7 3.3 51 51 A P S S- 0 0 8 0, 0.0 -14,-0.3 0, 0.0 -1,-0.2 0.910 90.6 -18.5 -37.5 -76.9 59.0 2.6 3.1 52 52 A A S S- 0 0 0 1,-0.3 2,-0.2 -48,-0.2 -48,-0.1 0.832 124.5 -43.3-101.8 -47.3 56.1 3.9 5.2 53 53 A E - 0 0 87 -49,-0.1 -1,-0.3 6,-0.1 2,-0.2 -0.875 44.2-131.8-161.8-165.8 57.7 6.8 7.2 54 54 A E + 0 0 86 -2,-0.2 6,-0.0 -4,-0.1 -4,-0.0 -0.757 18.5 172.2-168.1 114.7 60.8 7.9 9.1 55 55 A T - 0 0 65 -2,-0.2 4,-0.0 4,-0.0 -1,-0.0 -0.187 66.0 -91.6-122.4 44.5 60.9 9.6 12.6 56 56 A A S S+ 0 0 97 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.328 122.8 82.8 68.3 -16.7 64.6 9.6 13.5 57 57 A L S S+ 0 0 136 2,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.441 100.7 29.9 -95.1 -0.8 63.9 6.3 15.2 58 58 A F S S- 0 0 72 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.486 84.5-115.3-134.0-156.6 64.3 4.6 11.8 59 59 A K - 0 0 127 -6,-0.2 -6,-0.1 -2,-0.2 -2,-0.0 -0.976 21.4-100.9-149.1 164.2 66.3 5.2 8.6 60 60 A A - 0 0 32 -2,-0.3 2,-0.4 -10,-0.1 -10,-0.2 -0.204 31.8-132.7 -76.3 175.0 65.9 6.1 4.9 61 61 A K E -C 49 0B 44 -12,-1.4 -12,-1.9 2,-0.0 2,-0.1 -0.996 14.2-133.8-133.4 133.3 66.1 3.4 2.1 62 62 A H E -C 48 0B 150 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.427 17.8-170.8 -82.8 164.4 68.2 3.9 -1.1 63 63 A I E -C 47 0B 20 -16,-0.8 -16,-2.1 -2,-0.1 5,-0.1 -0.890 21.9-129.2-154.9 119.4 66.9 3.1 -4.6 64 64 A S E > -C 46 0B 68 -2,-0.3 4,-1.9 -18,-0.2 5,-0.2 -0.360 31.5-114.0 -64.8 151.1 69.0 2.9 -7.8 65 65 A A H > S+ 0 0 52 -20,-0.7 4,-1.2 1,-0.2 3,-0.4 0.950 121.2 52.2 -53.7 -44.6 67.4 5.0 -10.5 66 66 A A H >> S+ 0 0 75 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.922 104.7 55.9 -58.6 -39.6 66.8 1.8 -12.5 67 67 A H H 3> S+ 0 0 102 1,-0.3 4,-1.4 2,-0.2 3,-0.4 0.885 98.2 62.1 -61.0 -34.2 65.1 0.3 -9.3 68 68 A L H 3X S+ 0 0 55 -4,-1.9 4,-1.5 -3,-0.4 -1,-0.3 0.886 96.6 60.1 -59.7 -33.1 62.7 3.3 -9.4 69 69 A K H