==== 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 3GQH . COMPND 2 MOLECULE: PRENECK APPENDAGE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS PHAGE PHI29; . AUTHOR Y.XIANG,M.G.ROSSMANN . 489 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 163 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 45 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 . 7 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 9 6 0 3 7 5 3 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 . 3 0 0 0 3 3 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 3 0, 0.0 45,-1.4 0, 0.0 44,-1.3 0.000 360.0 360.0 360.0 160.0 17.3 18.9 29.6 2 693 A F E +aB 46 110A 5 108,-2.9 107,-3.3 42,-0.2 108,-1.5 -0.865 360.0 174.0-101.2 128.7 18.7 22.0 27.9 3 694 A A E -aB 47 108A 0 43,-2.8 45,-1.6 -2,-0.5 2,-0.3 -0.876 22.8-160.9-135.7 160.7 21.5 23.6 29.8 4 695 A E E -aB 48 107A 3 103,-1.9 103,-2.5 -2,-0.3 2,-0.4 -0.950 32.4-101.8-134.2 162.6 24.2 26.3 29.7 5 696 A Y E + B 0 106A 21 43,-2.2 2,-0.3 -2,-0.3 101,-0.2 -0.715 39.9 174.1 -83.8 134.4 27.4 27.0 31.6 6 697 A F E - B 0 105A 1 99,-2.1 99,-3.2 -2,-0.4 2,-0.3 -0.966 27.2-122.8-134.1 152.7 27.3 29.6 34.4 7 698 A E E - B 0 104A 54 18,-0.4 20,-3.0 -2,-0.3 97,-0.2 -0.727 27.7-115.6 -97.0 139.6 29.9 30.6 37.0 8 699 A S B > -c 27 0A 4 95,-2.6 3,-0.7 -2,-0.3 20,-0.2 -0.507 19.5-125.5 -76.1 147.2 29.3 30.4 40.7 9 700 A L T 3 S+ 0 0 53 18,-2.9 19,-0.1 1,-0.3 -1,-0.1 0.842 109.3 31.3 -58.8 -40.4 29.3 33.7 42.7 10 701 A G T 3 S- 0 0 66 17,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.375 111.0-114.2-102.1 1.7 31.9 32.6 45.2 11 702 A G S < S+ 0 0 23 -3,-0.7 2,-0.2 1,-0.3 -2,-0.1 0.582 77.5 120.3 75.4 11.0 33.8 30.3 42.9 12 703 A Q S S- 0 0 127 91,-0.1 -1,-0.3 1,-0.1 2,-0.2 -0.629 70.5 -87.1-105.1 167.7 32.8 27.2 44.8 13 704 A V - 0 0 66 -2,-0.2 2,-0.5 -3,-0.1 90,-0.1 -0.517 27.7-158.8 -76.7 131.2 30.9 24.1 43.8 14 705 A I - 0 0 17 -2,-0.2 3,-0.1 4,-0.0 6,-0.0 -0.975 29.4-125.8-103.7 123.0 27.1 24.0 44.0 15 706 A E > - 0 0 95 -2,-0.5 3,-1.2 1,-0.1 25,-0.3 -0.170 33.1 -80.3 -72.9 164.1 26.1 20.4 44.0 16 707 A T T 3 S+ 0 0 23 1,-0.2 25,-0.2 23,-0.1 -1,-0.1 -0.271 110.3 32.6 -65.3 145.2 23.6 18.8 41.6 17 708 A G T 3 S+ 0 0 0 23,-2.5 99,-2.7 1,-0.3 2,-0.3 0.286 82.6 127.0 96.1 -9.6 19.9 19.3 42.3 18 709 A Y < - 0 0 37 -3,-1.2 22,-2.2 97,-0.2 2,-0.3 -0.652 60.3-124.2 -82.0 138.2 20.0 22.8 43.9 19 710 A L E -D 39 0A 0 113,-2.8 11,-2.6 -2,-0.3 2,-0.3 -0.656 34.3-160.0 -78.2 132.4 17.8 25.5 42.5 20 711 A V E -DE 38 29A 0 18,-2.7 17,-2.3 -2,-0.3 18,-1.1 -0.829 16.5-172.1-121.3 154.7 19.9 28.6 41.5 21 712 A T E - E 0 28A 7 7,-2.8 7,-1.7 -2,-0.3 2,-0.4 -0.760 30.2-102.3-126.6 177.0 19.4 32.3 40.8 22 713 A L E + E 0 27A 19 13,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.885 32.3 172.0-105.5 138.3 21.6 35.0 39.4 23 714 A E E > S- E 0 26A 79 3,-2.7 3,-2.1 -2,-0.4 284,-0.0 -0.970 77.9 -13.3-140.7 128.1 23.4 37.7 41.4 24 715 A K T 3 S- 0 0 125 -2,-0.3 283,-0.1 1,-0.3 3,-0.1 0.852 128.5 -55.6 45.7 42.5 26.0 40.0 39.7 25 716 A G T 3 S+ 0 0 12 281,-0.3 -18,-0.4 1,-0.2 2,-0.3 0.480 121.5 93.4 78.7 3.7 26.0 37.7 36.7 26 717 A K E < S- E 0 23A 59 -3,-2.1 -3,-2.7 -20,-0.1 2,-0.3 -0.825 73.8-104.4-125.9 164.3 26.9 34.6 38.6 27 718 A I E +cE 8 22A 1 -20,-3.0 -18,-2.9 -2,-0.3 -17,-0.3 -0.626 36.3 158.7 -97.7 147.4 25.0 31.8 40.2 28 719 A R E - E 0 21A 57 -7,-1.7 -7,-2.8 -2,-0.3 104,-0.1 -0.957 52.2 -69.3-146.2 167.3 24.1 31.0 43.8 29 720 A K E - E 0 20A 72 -2,-0.3 -9,-0.3 -9,-0.2 102,-0.2 -0.316 58.2-113.9 -57.0 135.2 21.4 29.0 45.6 30 721 A A - 0 0 0 -11,-2.6 102,-2.6 100,-0.1 103,-0.2 -0.450 33.3-166.7 -76.6 147.3 17.9 30.5 45.2 31 722 A E > - 0 0 81 99,-0.2 3,-1.9 100,-0.2 98,-0.3 -0.685 40.6 -44.6-124.9 174.7 16.1 31.9 48.2 32 723 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.071 122.1 1.7 -41.9 127.1 12.5 33.1 49.0 33 724 A G T 3 S+ 0 0 85 1,-0.2 2,-0.3 96,-0.1 -1,-0.3 0.602 98.2 128.8 72.7 13.1 10.9 35.2 46.4 34 725 A E < - 0 0 60 -3,-1.9 2,-0.5 95,-0.2 -1,-0.2 -0.696 69.4 -96.9-101.5 155.4 13.9 35.2 43.9 35 726 A K - 0 0 107 -2,-0.3 2,-0.7 -13,-0.1 -13,-0.3 -0.582 34.9-144.3 -69.5 116.3 13.8 34.3 40.2 36 727 A I - 0 0 15 -2,-0.5 -15,-0.2 1,-0.2 3,-0.1 -0.770 19.3-178.5 -84.6 116.7 14.7 30.6 39.9 37 728 A I - 0 0 3 -17,-2.3 2,-0.3 -2,-0.7 -16,-0.2 0.739 53.8 -63.2 -89.7 -22.7 16.7 30.4 36.7 38 729 A G E -D 20 0A 0 -18,-1.1 -18,-2.7 -35,-0.0 2,-0.4 -0.982 52.0 -80.2 164.1-163.3 17.3 26.6 36.7 39 730 A V E -DF 19 108A 0 69,-1.6 69,-3.0 -2,-0.3 2,-0.3 -0.984 40.9-101.6-137.0 139.6 18.9 23.7 38.5 40 731 A I E - F 0 107A 11 -22,-2.2 -23,-2.5 -2,-0.4 2,-0.4 -0.510 54.4-162.8 -61.7 126.0 22.4 22.2 38.7 41 732 A S + 0 0 10 65,-2.2 65,-0.2 -2,-0.3 3,-0.1 -0.930 40.9 178.6-126.4 140.0 22.1 19.3 36.3 42 733 A E S S+ 0 0 88 -2,-0.4 353,-0.4 350,-0.3 -1,-0.1 0.291 86.4 62.7-107.0 0.9 24.0 16.0 35.5 43 734 A T + 0 0 27 351,-0.1 2,-0.2 349,-0.1 334,-0.2 0.271 64.6 137.3-111.9 6.3 21.5 14.9 32.9 44 735 A A - 0 0 25 1,-0.2 -42,-0.2 332,-0.1 3,-0.1 -0.408 28.9-175.3 -66.5 122.6 21.8 17.7 30.3 45 736 A G S S+ 0 0 46 -44,-1.3 2,-0.5 1,-0.3 -1,-0.2 0.758 78.6 40.7 -86.2 -29.8 21.8 16.3 26.7 46 737 A F E S+a 2 0A 46 -45,-1.4 -43,-2.8 2,-0.0 2,-0.4 -0.984 71.6 175.7-122.2 121.9 22.4 19.7 25.2 47 738 A V E -a 3 0A 60 -2,-0.5 -43,-0.2 -45,-0.2 2,-0.2 -0.995 6.1-179.5-134.1 132.5 24.9 22.1 26.9 48 739 A L E +a 4 0A 19 -45,-1.6 -43,-2.2 -2,-0.4 118,-0.1 -0.736 47.1 50.6-129.9 163.9 26.0 25.5 25.6 49 740 A G + 0 0 14 -2,-0.2 -1,-0.1 -45,-0.2 -45,-0.1 0.762 54.3 141.1 78.9 27.4 28.2 28.5 26.2 50 741 A E S S+ 0 0 89 1,-0.2 48,-0.5 -3,-0.2 49,-0.1 0.815 90.6 11.9 -68.3 -32.0 31.4 26.7 26.9 51 742 A S S > S+ 0 0 76 46,-0.1 3,-0.7 47,-0.1 -1,-0.2 0.118 98.3 133.7-131.0 19.4 33.4 29.3 25.1 52 743 A S T 3 + 0 0 27 1,-0.2 3,-0.1 3,-0.0 13,-0.1 -0.422 69.3 13.1 -72.4 146.4 30.7 32.0 24.7 53 744 A F T 3 S+ 0 0 30 12,-0.2 2,-0.6 1,-0.2 -1,-0.2 0.872 81.2 147.2 53.8 45.2 31.5 35.7 25.5 54 745 A E X + 0 0 44 -3,-0.7 3,-0.5 11,-0.2 -1,-0.2 -0.934 19.8 174.8-106.8 104.5 35.3 35.1 25.6 55 746 A W T 3 S+ 0 0 85 -2,-0.6 33,-0.1 1,-0.2 -1,-0.1 0.097 72.6 62.1 -98.4 22.4 37.0 38.3 24.4 56 747 A Q T 3 S+ 0 0 143 4,-0.0 34,-0.4 33,-0.0 -1,-0.2 0.234 80.7 106.8-127.0 14.4 40.6 37.1 25.1 57 748 A G S < S- 0 0 19 -3,-0.5 29,-0.1 2,-0.3 32,-0.1 -0.059 85.7 -90.1 -83.8-174.0 40.7 34.1 22.8 58 749 A A S S+ 0 0 55 27,-0.1 28,-2.9 2,-0.1 2,-0.4 0.826 107.2 59.8 -70.1 -35.7 42.6 33.6 19.5 59 750 A V B S-G 85 0B 49 26,-0.3 -2,-0.3 28,-0.0 2,-0.2 -0.786 89.4-115.5-101.8 137.6 39.8 34.8 17.2 60 751 A L - 0 0 46 24,-3.5 8,-2.4 -2,-0.4 24,-0.3 -0.525 31.1-164.1 -74.0 133.3 38.4 38.4 17.4 61 752 A K B -H 67 0C 43 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.873 15.3-122.7-115.3 151.8 34.7 38.6 18.5 62 753 A N > - 0 0 37 4,-3.0 3,-2.2 -2,-0.3 -1,-0.0 -0.237 42.9 -86.2 -82.9-178.9 32.4 41.6 18.1 63 754 A E T 3 S+ 0 0 39 1,-0.3 247,-0.1 2,-0.1 -1,-0.1 0.647 129.5 53.9 -66.6 -14.8 30.5 43.3 21.0 64 755 A F T 3 S- 0 0 10 2,-0.1 214,-0.4 214,-0.1 142,-0.3 0.309 121.6-104.3 -98.2 6.4 27.7 40.8 20.6 65 756 A G S < S+ 0 0 6 -3,-2.2 -12,-0.2 1,-0.3 2,-0.2 0.475 76.5 135.9 84.1 4.9 30.0 37.7 20.9 66 757 A G - 0 0 2 1,-0.1 -4,-3.0 -14,-0.1 -1,-0.3 -0.543 63.4-101.9 -85.6 149.5 29.9 36.9 17.2 67 758 A I B -H 61 0C 67 139,-0.3 2,-0.6 -6,-0.2 -6,-0.2 -0.514 32.9-131.0 -66.4 132.6 33.1 36.0 15.3 68 759 A I - 0 0 52 -8,-2.4 16,-2.0 16,-0.2 2,-0.4 -0.833 25.6-157.4 -87.3 121.2 34.4 38.9 13.2 69 760 A Y E -I 83 0D 108 -2,-0.6 2,-0.3 14,-0.2 12,-0.0 -0.852 9.6-136.2-103.2 134.0 35.1 37.7 9.6 70 761 A E E -I 82 0D 73 12,-3.8 12,-1.6 -2,-0.4 2,-0.8 -0.671 19.8-128.5 -78.4 140.1 37.4 39.4 7.1 71 762 A E E -I 81 0D 139 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.854 31.7-166.6 -89.8 111.5 36.1 39.7 3.6 72 763 A V E -I 80 0D 21 8,-2.8 8,-2.2 -2,-0.8 2,-0.5 -0.867 6.3-156.5-107.4 135.6 38.8 38.2 1.5 73 764 A T E -I 79 0D 78 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.934 6.3-145.7-115.1 128.7 39.0 38.6 -2.3 74 765 A T > - 0 0 51 4,-3.1 3,-1.5 -2,-0.5 6,-0.0 -0.379 39.0 -95.7 -80.9 169.1 40.8 36.2 -4.7 75 766 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.688 125.7 53.8 -59.6 -18.5 42.5 37.5 -7.9 76 767 A D T 3 S- 0 0 130 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.584 123.5 -99.8 -91.6 -15.6 39.3 36.6 -9.8 77 768 A G S < S+ 0 0 42 -3,-1.5 2,-0.2 1,-0.4 -2,-0.1 0.327 74.1 145.0 108.8 -5.2 36.9 38.5 -7.7 78 769 A V - 0 0 88 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.496 34.1-155.5 -67.1 129.4 35.7 35.5 -5.6 79 770 A K E +I 73 0D 130 -2,-0.2 2,-0.3 -6,-0.2 -6,-0.2 -0.863 18.7 165.3-115.2 142.8 35.0 36.5 -2.1 80 771 A F E -I 72 0D 101 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.3 -0.963 33.7-101.6-150.4 164.5 35.0 34.4 1.1 81 772 A K E +I 71 0D 149 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.676 30.1 178.1 -95.7 143.6 35.0 34.8 4.9 82 773 A R E -I 70 0D 112 -12,-1.6 -12,-3.8 -2,-0.3 -2,-0.0 -0.976 32.6-111.9-143.9 126.4 38.1 34.3 7.2 83 774 A P E -I 69 0D 63 0, 0.0 -14,-0.2 0, 0.0 -16,-0.0 -0.241 31.7-122.5 -57.1 144.2 38.1 34.8 11.0 84 775 A L - 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