==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 24-MAR-09 3GQK . COMPND 2 MOLECULE: PRENECK APPENDAGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE PHI29; . AUTHOR Y.XIANG,M.G.ROSSMANN . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 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 . 2 0 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 PARALLEL BRIDGES PER LADDER . 3 2 0 3 0 2 1 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 0 0 0 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 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 1 692 A D 0 0 27 0, 0.0 44,-1.6 0, 0.0 45,-1.0 0.000 360.0 360.0 360.0 166.2 1.4 8.6 -2.7 2 693 A F E +aB 46 110A 110 108,-2.4 107,-2.5 42,-0.2 108,-1.7 -0.922 360.0 172.5 -94.1 129.4 0.3 6.3 0.1 3 694 A A E -aB 47 108A 4 43,-2.7 45,-1.9 -2,-0.5 2,-0.3 -0.772 27.1-146.1-139.4 168.9 -2.6 8.1 1.9 4 695 A E E -aB 48 107A 63 103,-2.7 103,-3.1 43,-0.3 2,-0.4 -0.976 28.1-107.7-140.3 151.8 -5.4 7.9 4.4 5 696 A Y E + B 0 106A 29 43,-3.4 2,-0.3 -2,-0.3 101,-0.2 -0.715 42.4 174.5 -81.0 128.2 -9.0 9.2 4.8 6 697 A F E - B 0 105A 41 99,-2.5 99,-4.0 -2,-0.4 2,-0.4 -0.941 28.7-121.5-129.6 157.3 -9.3 12.0 7.4 7 698 A E E - B 0 104A 59 -2,-0.3 20,-2.4 18,-0.3 97,-0.2 -0.824 27.6-123.6-100.0 128.7 -12.1 14.3 8.6 8 699 A S B > -c 27 0A 0 95,-2.7 3,-1.5 -2,-0.4 20,-0.2 -0.458 23.7-118.4 -73.8 147.4 -11.7 18.1 8.4 9 700 A L T 3 S+ 0 0 53 18,-2.5 19,-0.1 1,-0.3 -1,-0.1 0.857 108.8 28.2 -59.2 -49.1 -12.1 20.0 11.6 10 701 A G T 3 S- 0 0 67 17,-0.3 -1,-0.3 93,-0.0 -2,-0.1 0.206 117.6 -99.7 -96.3 16.7 -15.1 22.3 10.8 11 702 A G S < S+ 0 0 43 -3,-1.5 -2,-0.2 92,-0.2 93,-0.1 0.725 81.2 154.4 65.0 21.5 -16.4 19.8 8.3 12 703 A Q - 0 0 64 91,-0.1 2,-0.2 1,-0.1 -4,-0.2 0.538 48.7-114.3 -52.6-155.6 -14.7 22.3 6.0 13 704 A V - 0 0 77 90,-0.0 2,-0.7 2,-0.0 90,-0.1 -0.762 23.5-163.2-152.7 105.9 -13.3 21.5 2.5 14 705 A I - 0 0 3 -2,-0.2 3,-0.1 89,-0.1 6,-0.0 -0.858 20.0-133.9 -95.4 113.8 -9.5 21.7 2.2 15 706 A E > - 0 0 105 -2,-0.7 3,-1.1 1,-0.1 25,-0.3 -0.148 35.8 -80.7 -62.5 161.5 -8.5 21.8 -1.5 16 707 A T T 3 S+ 0 0 56 1,-0.2 25,-0.2 23,-0.1 -1,-0.1 -0.307 109.0 35.2 -73.0 144.9 -5.7 19.7 -2.8 17 708 A G T 3 S+ 0 0 8 23,-1.6 99,-1.9 1,-0.4 -1,-0.2 0.065 81.6 121.9 103.8 -23.7 -2.1 20.7 -2.3 18 709 A Y < - 0 0 39 -3,-1.1 22,-1.8 97,-0.2 -1,-0.4 -0.532 64.3-122.3 -71.5 138.3 -2.4 22.3 1.1 19 710 A L E -D 39 0A 0 113,-3.2 11,-1.6 -2,-0.2 2,-0.3 -0.546 34.9-155.3 -75.5 144.6 -0.3 20.9 3.9 20 711 A V E -DE 38 29A 0 18,-2.4 17,-2.2 9,-0.2 18,-1.3 -0.918 17.2-175.4-132.3 154.3 -2.4 19.7 6.9 21 712 A T E - E 0 28A 11 7,-2.4 7,-1.6 -2,-0.3 2,-0.4 -0.779 29.5 -98.2-134.2 175.4 -2.1 19.1 10.6 22 713 A L E + E 0 27A 77 13,-0.4 2,-0.3 -2,-0.2 5,-0.2 -0.821 30.7 171.4-104.5 143.5 -4.3 17.7 13.4 23 714 A E E > S- E 0 26A 75 3,-2.5 3,-1.1 -2,-0.4 -2,-0.0 -0.932 77.8 -16.8-143.8 127.5 -6.4 19.6 16.0 24 715 A K T 3 S- 0 0 186 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.920 130.0 -48.9 37.1 60.1 -8.8 17.7 18.3 25 716 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 0, 0.0 -18,-0.3 0.676 122.3 92.1 63.1 23.1 -8.7 14.5 16.1 26 717 A K E < S- E 0 23A 60 -3,-1.1 -3,-2.5 -20,-0.1 2,-0.3 -0.930 72.3-105.7-142.6 164.8 -9.3 16.4 12.8 27 718 A I E +cE 8 22A 0 -20,-2.4 -18,-2.5 -2,-0.3 2,-0.3 -0.744 37.4 154.5-100.7 141.7 -7.5 18.0 9.9 28 719 A R E - E 0 21A 48 -7,-1.6 -7,-2.4 -2,-0.3 104,-0.0 -0.904 52.9 -62.9-144.7 172.3 -7.0 21.8 9.1 29 720 A K E - E 0 20A 65 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.247 57.6-117.3 -56.0 146.2 -4.4 23.9 7.3 30 721 A A - 0 0 0 -11,-1.6 102,-2.0 100,-0.1 -11,-0.2 -0.798 29.7-170.6 -97.5 129.6 -1.0 23.8 8.8 31 722 A E - 0 0 74 -2,-0.5 98,-0.3 1,-0.2 99,-0.2 -0.234 42.5 -56.3 -98.8-168.9 0.6 27.0 10.2 32 723 A K S S+ 0 0 142 1,-0.2 2,-3.2 96,-0.1 -1,-0.2 -0.241 118.2 10.3 -72.2 161.2 4.3 27.5 11.4 33 724 A G S S+ 0 0 78 1,-0.1 -1,-0.2 -3,-0.1 3,-0.1 -0.048 99.9 118.3 65.5 -41.3 5.9 25.3 14.1 34 725 A E S S- 0 0 61 -2,-3.2 2,-0.4 95,-0.2 95,-0.2 -0.102 76.2-100.9 -51.6 151.2 2.8 22.9 13.9 35 726 A K - 0 0 168 -13,-0.1 2,-0.7 -3,-0.1 -13,-0.4 -0.688 27.4-139.4 -83.7 126.2 3.5 19.3 12.8 36 727 A I + 0 0 20 -2,-0.4 -15,-0.2 1,-0.2 3,-0.1 -0.767 23.4 175.6 -85.1 115.9 2.8 18.5 9.1 37 728 A I - 0 0 57 -17,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.785 58.7 -52.3 -89.7 -28.5 1.1 15.1 8.9 38 729 A G E -D 20 0A 0 -18,-1.3 -18,-2.4 -35,-0.0 2,-0.3 -0.919 50.8 -89.7-177.0-159.5 0.4 15.2 5.2 39 730 A V E -DF 19 108A 0 69,-1.3 69,-3.4 -2,-0.3 -20,-0.2 -0.993 42.0-103.3-142.4 137.8 -1.0 16.9 2.1 40 731 A I E - F 0 107A 9 -22,-1.8 -23,-1.6 -2,-0.3 2,-0.4 -0.456 52.9-161.5 -63.0 135.4 -4.5 16.7 0.6 41 732 A S + 0 0 9 65,-2.8 65,-0.2 -25,-0.2 3,-0.1 -0.966 44.5 175.6-136.7 141.7 -4.0 14.4 -2.5 42 733 A E S S+ 0 0 156 -2,-0.4 -1,-0.1 1,-0.1 65,-0.1 0.235 85.4 68.6-113.3 4.1 -5.6 13.4 -5.7 43 734 A T + 0 0 93 71,-0.1 2,-0.3 -41,-0.0 -1,-0.1 0.258 65.1 137.5-105.9 12.0 -2.7 11.2 -6.7 44 735 A A - 0 0 28 1,-0.2 -42,-0.2 -3,-0.1 3,-0.1 -0.435 29.0-178.6 -75.2 122.7 -3.1 8.5 -4.1 45 736 A G S S+ 0 0 57 -44,-1.6 2,-0.4 -2,-0.3 -1,-0.2 0.631 80.4 30.2 -85.4 -19.9 -2.6 4.9 -5.5 46 737 A F E S+a 2 0A 143 -45,-1.0 -43,-2.7 2,-0.0 2,-0.4 -0.970 71.7 172.4-145.0 119.1 -3.3 3.4 -2.0 47 738 A V E -a 3 0A 30 -2,-0.4 3,-0.3 -45,-0.2 2,-0.3 -0.998 16.3-150.1-136.7 134.3 -5.6 4.9 0.5 48 739 A L E S+a 4 0A 103 -45,-1.9 -43,-3.4 -2,-0.4 3,-0.1 -0.789 70.8 38.5-102.7 147.7 -6.9 3.6 3.8 49 740 A G + 0 0 35 -2,-0.3 2,-1.2 -45,-0.2 -1,-0.2 0.505 66.4 133.0 99.2 6.2 -10.2 4.4 5.5 50 741 A E - 0 0 87 -3,-0.3 2,-0.7 48,-0.1 -1,-0.2 -0.757 35.8-168.3 -88.8 91.0 -12.6 4.5 2.5 51 742 A S + 0 0 30 -2,-1.2 47,-1.1 1,-0.1 48,-0.2 -0.762 25.0 157.2 -75.6 117.1 -15.5 2.4 3.7 52 743 A S + 0 0 39 -2,-0.7 -1,-0.1 45,-0.2 3,-0.1 0.280 62.3 45.4-129.2 14.5 -17.1 2.3 0.2 53 744 A F S S+ 0 0 196 1,-0.1 2,-0.3 43,-0.1 -2,-0.1 0.043 118.4 2.8 148.1 -71.5 -19.0 -0.5 0.4 54 745 A E S S- 0 0 102 42,-0.0 -1,-0.1 4,-0.0 2,-0.0 -0.933 87.9 -72.9-167.5 159.4 -20.9 -0.4 3.8 55 746 A W > - 0 0 99 -2,-0.3 3,-2.5 1,-0.2 4,-0.3 -0.369 48.3-120.0 -54.6 131.5 -21.4 1.9 6.7 56 747 A Q T 3 S+ 0 0 85 1,-0.3 3,-0.2 -5,-0.1 -1,-0.2 0.664 112.9 51.0 -48.2 -19.1 -18.2 1.7 8.8 57 748 A G T 3 + 0 0 8 1,-0.1 29,-0.4 31,-0.0 -1,-0.3 0.493 69.8 107.6-102.9 -6.7 -20.3 0.4 11.6 58 749 A A S < S+ 0 0 12 -3,-2.5 28,-2.5 27,-0.1 2,-0.3 0.865 87.7 40.5 -35.8 -52.4 -22.2 -2.4 9.9 59 750 A V B S-G 85 0B 19 -4,-0.3 2,-0.1 26,-0.3 8,-0.0 -0.775 94.9-114.7 -98.5 144.8 -20.1 -4.9 11.9 60 751 A L - 0 0 58 24,-2.6 8,-1.3 -2,-0.3 24,-0.3 -0.382 30.7-158.0 -71.0 158.0 -19.1 -4.4 15.6 61 752 A K B -H 67 0C 70 6,-0.2 6,-0.2 1,-0.1 5,-0.1 -0.978 13.4-117.8-140.5 148.4 -15.4 -3.8 16.5 62 753 A N > - 0 0 68 4,-2.9 3,-1.3 -2,-0.3 -1,-0.1 0.123 51.4 -77.9 -71.1-167.1 -13.4 -4.2 19.6 63 754 A E T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.682 131.3 53.7 -69.8 -17.6 -11.5 -1.5 21.5 64 755 A F T 3 S- 0 0 176 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.112 119.4-104.7-105.8 20.5 -8.8 -1.5 18.8 65 756 A G S < S+ 0 0 50 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.390 77.2 137.0 77.5 -4.4 -11.0 -1.1 15.8 66 757 A G - 0 0 29 1,-0.1 -4,-2.9 -5,-0.1 -1,-0.2 -0.575 65.1 -96.9 -82.3 137.5 -10.7 -4.8 14.8 67 758 A I B -H 61 0C 71 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.297 34.4-135.1 -53.2 119.0 -13.7 -6.8 13.7 68 759 A I - 0 0 60 -8,-1.3 16,-1.1 16,-0.2 2,-0.5 -0.695 22.5-159.5 -75.1 124.1 -15.1 -8.8 16.6 69 760 A Y E -I 83 0D 107 -2,-0.5 2,-0.3 14,-0.2 12,-0.0 -0.926 8.3-141.1-109.1 131.8 -15.9 -12.3 15.4 70 761 A E E -I 82 0D 68 12,-2.5 12,-1.8 -2,-0.5 2,-0.7 -0.667 20.5-125.9 -84.2 147.0 -18.3 -14.7 17.2 71 762 A E E -I 81 0D 139 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.856 26.9-160.6 -99.0 112.4 -17.3 -18.4 17.3 72 763 A V E -I 80 0D 28 8,-2.6 8,-1.2 -2,-0.7 2,-0.3 -0.703 1.4-155.8 -98.7 142.8 -20.0 -20.6 15.9 73 764 A T + 0 0 90 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.887 21.0 154.9-123.5 150.0 -20.3 -24.3 16.6 74 765 A T + 0 0 69 4,-0.4 2,-1.2 -2,-0.3 -1,-0.1 0.231 50.3 20.3-137.5-118.8 -22.0 -27.0 14.5 75 766 A E S S- 0 0 150 1,-0.3 -1,-0.1 3,-0.1 0, 0.0 -0.654 137.2 -37.5 -79.0 95.3 -22.0 -30.7 13.7 76 767 A D S S- 0 0 183 -2,-1.2 -1,-0.3 1,-0.1 -3,-0.0 0.622 131.2 -43.6 49.8 13.4 -20.2 -32.0 16.8 77 768 A G + 0 0 27 1,-0.2 2,-0.6 0, 0.0 -1,-0.1 0.938 63.8 167.9 102.9 66.5 -18.3 -28.8 16.3 78 769 A V - 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