==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-NOV-09 3KNQ . COMPND 2 MOLECULE: ATTACHMENT PROTEIN G3P; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE FD; . AUTHOR R.P JAKOB,H.DOBBEK . 372 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 57.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 10 2.7 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 . 39 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 1 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 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 0 PARALLEL BRIDGES PER LADDER . 0 3 5 6 0 3 1 2 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 2 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 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 5 A V 0 0 148 0, 0.0 2,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -11.2 10.8 26.6 -17.2 2 6 A E + 0 0 146 1,-0.2 3,-0.2 2,-0.1 56,-0.0 -0.178 360.0 125.1 -75.4 45.7 7.2 25.9 -15.9 3 7 A S + 0 0 65 -2,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.151 21.8 121.5 -92.9 16.1 7.4 22.4 -17.6 4 8 A L + 0 0 37 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.281 51.1 85.4 -69.3 12.6 6.6 20.4 -14.4 5 9 A A S S+ 0 0 107 -3,-0.2 -1,-0.3 51,-0.0 -2,-0.1 0.017 74.2 148.0 -94.6 21.9 3.6 18.8 -16.1 6 10 A K - 0 0 71 -3,-0.5 2,-0.1 1,-0.1 3,-0.1 -0.103 57.1 -96.8 -60.5 150.9 6.4 16.4 -17.3 7 11 A S - 0 0 103 1,-0.1 -1,-0.1 47,-0.1 -2,-0.0 -0.433 50.6 -98.8 -67.3 142.4 6.0 12.7 -18.0 8 12 A H - 0 0 62 -2,-0.1 2,-0.5 46,-0.1 46,-0.2 -0.203 32.0-129.5 -60.0 158.1 7.1 10.5 -15.0 9 13 A I E -A 53 0A 26 44,-2.4 44,-3.7 2,-0.1 2,-1.0 -0.958 12.6-162.8-116.3 116.3 10.5 8.9 -15.0 10 14 A E E +A 52 0A 82 -2,-0.5 2,-0.3 42,-0.3 42,-0.2 -0.829 58.6 68.0 -97.0 98.6 10.9 5.2 -14.4 11 15 A G E S-A 51 0A 4 40,-1.7 40,-1.8 -2,-1.0 2,-0.3 -0.971 83.5 -55.3 177.8-170.5 14.5 4.8 -13.5 12 16 A S E -A 50 0A 1 173,-0.3 175,-2.4 -2,-0.3 176,-0.6 -0.760 36.3-162.3-100.1 138.3 17.4 5.5 -11.1 13 17 A F E -A 49 0A 0 36,-2.7 36,-2.4 -2,-0.3 3,-0.2 -0.973 2.4-158.8-118.6 134.9 18.5 9.0 -9.8 14 18 A T E S+A 48 0A 6 -2,-0.4 34,-0.2 34,-0.2 33,-0.1 -0.528 75.6 46.6 -98.0 168.8 21.8 9.8 -8.2 15 19 A N S S+ 0 0 130 32,-0.8 13,-0.4 -2,-0.2 -1,-0.2 0.809 83.3 158.6 58.8 37.5 22.3 12.9 -6.0 16 20 A V - 0 0 20 31,-0.8 2,-0.3 -3,-0.2 11,-0.2 -0.340 23.1-168.6 -81.0 163.8 19.1 12.0 -4.1 17 21 A W E -B 26 0A 37 9,-1.5 9,-2.7 -2,-0.1 2,-0.4 -0.967 18.8-126.1-150.1 157.7 18.0 13.2 -0.6 18 22 A K E -B 25 0A 49 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.919 24.6-124.3-108.0 134.1 15.3 12.2 1.8 19 23 A D > - 0 0 52 5,-2.3 4,-1.6 -2,-0.4 5,-0.1 -0.674 16.9-141.4 -74.8 129.2 13.0 14.9 3.3 20 24 A D T 4 S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.566 96.1 42.7 -70.8 -10.3 13.3 14.6 7.1 21 25 A K T 4 S+ 0 0 114 3,-0.1 -1,-0.2 107,-0.0 107,-0.0 0.850 126.2 24.8 -99.4 -52.6 9.5 15.3 7.5 22 26 A T T 4 S- 0 0 54 2,-0.1 59,-0.2 57,-0.0 -2,-0.2 0.670 91.1-138.5 -87.3 -25.9 7.8 13.2 4.8 23 27 A L < + 0 0 2 -4,-1.6 2,-0.2 1,-0.3 -3,-0.1 0.652 55.3 138.8 67.1 23.7 10.6 10.7 4.5 24 28 A D - 0 0 28 -5,-0.1 -5,-2.3 55,-0.1 -1,-0.3 -0.620 53.5-117.0 -86.6 152.1 10.2 10.7 0.8 25 29 A W E -B 18 0A 6 11,-0.3 11,-2.3 -2,-0.2 2,-0.3 -0.681 32.9-172.9 -92.5 149.9 13.1 10.6 -1.6 26 30 A Y E -BC 17 35A 32 -9,-2.7 -9,-1.5 -2,-0.3 2,-0.3 -0.905 10.5-179.7-141.5 158.9 13.8 13.5 -4.0 27 31 A A E - C 0 34A 0 7,-1.3 7,-2.7 -2,-0.3 2,-0.4 -0.962 23.7-127.5-161.8 150.6 16.1 14.5 -6.9 28 32 A N E + C 0 33A 44 -13,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.862 36.2 157.1-102.5 132.1 16.8 17.4 -9.3 29 33 A Y E > - C 0 32A 56 3,-2.2 3,-2.3 -2,-0.4 30,-0.1 -0.934 65.4 -2.5-159.5 134.7 16.9 16.7 -13.1 30 34 A E T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.3 29,-0.0 0.791 129.0 -58.5 50.3 35.5 16.4 18.9 -16.1 31 35 A G T 3 S+ 0 0 40 1,-0.2 28,-1.5 27,-0.1 2,-0.3 0.645 115.8 115.1 69.5 21.8 15.7 21.8 -13.7 32 36 A I E < -CD 29 58A 0 -3,-2.3 -3,-2.2 26,-0.3 2,-0.5 -0.901 63.8-131.0-122.7 146.5 12.8 19.9 -12.1 33 37 A L E -CD 28 57A 25 24,-3.6 23,-3.1 -2,-0.3 24,-1.5 -0.872 29.2-163.0 -95.2 127.7 12.2 18.5 -8.6 34 38 A W E -CD 27 55A 0 -7,-2.7 -7,-1.3 -2,-0.5 2,-0.4 -0.902 12.4-146.5-118.4 143.8 11.0 14.8 -8.6 35 39 A K E -CD 26 54A 72 19,-2.8 19,-2.9 -2,-0.3 2,-0.5 -0.914 25.0-122.0-107.5 130.2 9.4 12.7 -5.9 36 40 A A E + D 0 53A 6 -11,-2.3 -11,-0.3 -2,-0.4 17,-0.2 -0.636 44.9 166.3 -75.1 114.5 10.2 9.0 -5.8 37 41 A T E + D 0 52A 39 15,-2.1 15,-2.0 -2,-0.5 2,-0.1 -0.594 36.5 31.8-118.7-176.6 6.9 7.0 -6.1 38 42 A G E S- 0 0 55 -2,-0.2 2,-0.5 13,-0.2 -2,-0.0 -0.381 122.1 -8.1 67.3-147.0 5.8 3.4 -6.8 39 43 A V E S- 0 0 23 -2,-0.1 2,-0.5 39,-0.0 -2,-0.1 -0.752 78.8-153.9 -81.0 124.3 8.2 0.8 -5.6 40 44 A V E - 0 0 16 -2,-0.5 37,-2.6 37,-0.4 2,-0.4 -0.936 10.2-168.7-108.7 121.0 11.2 2.8 -4.4 41 45 A V E -ED 76 50A 0 9,-3.0 9,-3.4 -2,-0.5 2,-0.3 -0.944 6.7-173.5-113.3 128.4 14.6 0.9 -4.4 42 46 A I E -ED 75 49A 5 33,-2.6 33,-2.6 -2,-0.4 7,-0.2 -0.955 23.8-117.0-124.8 148.0 17.6 2.5 -2.7 43 47 A T > - 0 0 8 5,-1.8 3,-1.5 -2,-0.3 31,-0.2 -0.440 35.5-106.8 -75.2 156.3 21.3 1.5 -2.5 44 48 A G T 3 S+ 0 0 59 29,-0.3 -1,-0.1 1,-0.3 30,-0.1 0.833 124.3 44.8 -51.4 -36.1 22.8 0.7 0.9 45 49 A D T 3 S- 0 0 112 3,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.511 107.3-127.1 -89.2 -7.8 24.7 4.0 0.8 46 50 A E S < S+ 0 0 69 -3,-1.5 -30,-0.2 2,-0.2 -2,-0.1 0.715 74.0 125.0 67.1 26.2 21.6 6.0 -0.4 47 51 A T S S+ 0 0 64 1,-0.2 -31,-0.8 -32,-0.1 -32,-0.8 0.804 73.6 34.0 -79.1 -32.4 23.6 7.5 -3.3 48 52 A Q E -A 14 0A 8 -34,-0.2 -5,-1.8 -33,-0.1 2,-0.4 -0.950 63.1-167.1-129.4 147.7 21.0 6.2 -5.7 49 53 A V E -AD 13 42A 0 -36,-2.4 -36,-2.7 -2,-0.3 2,-0.4 -0.996 6.6-158.3-135.6 128.1 17.2 5.7 -5.8 50 54 A Y E +AD 12 41A 2 -9,-3.4 -9,-3.0 -2,-0.4 2,-0.2 -0.900 40.1 113.2-103.1 133.9 15.1 3.7 -8.3 51 55 A A E S-A 11 0A 0 -40,-1.8 -40,-1.7 -2,-0.4 2,-0.8 -0.895 76.8 -71.0-170.3-171.3 11.4 4.6 -8.6 52 56 A I E -AD 10 37A 14 -15,-2.0 -15,-2.1 -2,-0.2 2,-0.6 -0.961 58.1-147.8 -99.3 91.9 8.6 6.1 -10.7 53 57 A W E -AD 9 36A 0 -44,-3.7 -44,-2.4 -2,-0.8 -17,-0.2 -0.682 12.5-162.5 -72.6 114.1 9.9 9.7 -10.4 54 58 A V E - D 0 35A 30 -19,-2.9 -19,-2.8 -2,-0.6 2,-0.4 -0.858 23.0-118.7 -97.5 133.1 6.9 12.1 -10.4 55 59 A P E + D 0 34A 17 0, 0.0 -21,-0.3 0, 0.0 3,-0.1 -0.601 37.9 169.4 -73.1 121.1 7.7 15.8 -11.2 56 60 A V E - 0 0 70 -23,-3.1 2,-0.3 -2,-0.4 -22,-0.2 0.585 56.2 -48.4-107.4 -11.8 6.6 17.8 -8.1 57 61 A G E S- D 0 33A 12 -24,-1.5 -24,-3.6 -54,-0.0 -1,-0.3 -0.975 80.5 -32.5 170.9-166.4 8.1 21.3 -8.9 58 62 A L E S- D 0 32A 96 -26,-0.3 -26,-0.3 -2,-0.3 -27,-0.1 -0.583 72.4 -92.6 -80.0 142.8 11.2 23.3 -10.0 59 63 A A - 0 0 32 -28,-1.5 -26,-0.2 -2,-0.2 -1,-0.1 -0.157 29.4-156.4 -56.6 144.3 14.7 22.0 -9.0 60 64 A I - 0 0 58 -28,-0.1 3,-0.2 1,-0.1 -32,-0.1 -0.978 5.6-170.8-123.2 108.3 16.4 23.1 -5.8 61 65 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -33,-0.0 0.657 80.4 65.6 -77.0 -13.6 20.3 22.7 -5.9 62 66 A E 0 0 159 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.888 360.0 360.0 -68.9 -45.8 20.8 23.5 -2.2 63 67 A N 0 0 107 -3,-0.2 -1,-0.2 -46,-0.0 0, 0.0 0.399 360.0 360.0 -64.1 360.0 18.9 20.4 -0.8 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 90 A P 0 0 159 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.8 31.2 8.0 -9.3 66 91 A E - 0 0 185 123,-0.0 2,-0.3 119,-0.0 123,-0.0 -0.995 360.0-143.8-131.1 124.9 31.5 6.0 -12.6 67 92 A Y - 0 0 50 -2,-0.4 2,-0.0 1,-0.1 117,-0.0 -0.797 7.6-152.6-107.0 143.6 28.4 4.0 -13.6 68 93 A G - 0 0 46 -2,-0.3 4,-0.1 2,-0.2 -1,-0.1 -0.075 24.7-120.6 -90.1-168.6 27.9 0.6 -15.3 69 94 A D S S+ 0 0 134 2,-0.1 115,-0.2 116,-0.1 -1,-0.0 0.185 81.9 88.3-121.4 12.7 25.0 -0.6 -17.5 70 95 A T S S- 0 0 88 113,-0.1 -2,-0.2 1,-0.1 112,-0.1 -0.811 88.7 -86.0-113.1 152.8 23.9 -3.6 -15.3 71 96 A P - 0 0 39 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.334 41.0-150.5 -61.1 133.9 21.5 -3.8 -12.3 72 97 A I E - F 0 182A 53 110,-2.3 110,-2.4 1,-0.1 108,-0.0 -0.861 23.5-101.8-103.4 140.9 23.0 -2.9 -8.9 73 98 A P E + F 0 181A 85 0, 0.0 -29,-0.3 0, 0.0 2,-0.3 -0.148 55.2 138.1 -60.9 152.2 21.8 -4.4 -5.6 74 99 A G E - F 0 180A 0 106,-2.3 106,-1.8 -31,-0.2 2,-0.4 -0.855 41.4 -93.1-166.1-160.4 19.6 -2.4 -3.3 75 100 A Y E -EF 42 179A 79 -33,-2.6 -33,-2.6 104,-0.3 2,-0.7 -0.997 28.8-110.6-140.6 141.6 16.5 -2.5 -1.0 76 101 A I E -E 41 0A 16 102,-2.8 102,-0.5 -2,-0.4 2,-0.3 -0.607 41.9-134.4 -68.8 111.6 12.9 -1.8 -1.3 77 102 A Y - 0 0 14 -37,-2.6 2,-0.8 -2,-0.7 -37,-0.4 -0.529 8.8-147.1 -70.2 131.4 12.4 1.3 0.8 78 103 A I - 0 0 17 -2,-0.3 67,-0.1 -39,-0.1 -1,-0.1 -0.863 4.7-151.5-101.3 103.0 9.5 1.4 3.2 79 104 A N > - 0 0 23 -2,-0.8 3,-1.0 1,-0.2 69,-0.2 -0.659 9.4-155.4 -69.0 113.6 8.2 4.8 3.5 80 105 A P T 3 S+ 0 0 0 0, 0.0 64,-2.5 0, 0.0 65,-0.9 0.503 89.0 56.4 -74.5 2.9 6.9 4.5 7.1 81 106 A L T 3 + 0 0 44 -59,-0.2 -2,-0.1 62,-0.2 62,-0.1 -0.230 69.3 117.9-120.8 34.3 4.3 7.3 6.5 82 107 A D S < S- 0 0 75 -3,-1.0 63,-0.1 3,-0.0 -1,-0.1 0.598 73.5-127.9 -82.4 -15.4 2.6 5.7 3.4 83 108 A G S S+ 0 0 38 -3,-0.2 62,-0.2 2,-0.1 -2,-0.0 0.563 72.2 123.0 79.6 11.9 -0.9 5.4 4.9 84 109 A T S S+ 0 0 35 60,-0.3 61,-0.2 1,-0.3 -3,-0.0 0.734 87.6 29.3 -74.4 -21.7 -1.4 1.6 4.2 85 110 A Y S S- 0 0 23 59,-3.4 -1,-0.3 6,-0.0 -2,-0.1 -0.671 91.9-160.0-132.9 69.7 -2.0 0.9 7.9 86 111 A P - 0 0 42 0, 0.0 6,-0.6 0, 0.0 3,-0.4 -0.329 13.4-126.7 -61.6 131.5 -3.5 4.3 9.2 87 112 A P S S+ 0 0 25 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.223 88.8 40.1 -71.3 164.8 -3.3 4.9 13.0 88 113 A G S S+ 0 0 47 6,-2.0 2,-0.2 4,-0.4 7,-0.1 0.763 96.6 107.4 67.0 28.4 -6.4 5.8 15.0 89 114 A T S S- 0 0 55 3,-3.0 -1,-0.3 -3,-0.4 -4,-0.0 -0.666 88.2-101.4-122.7 177.0 -8.5 3.3 13.1 90 115 A E S S+ 0 0 195 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.1 0.942 125.8 46.3 -65.1 -45.2 -10.1 -0.2 13.8 91 116 A Q S S+ 0 0 100 1,-0.3 -1,-0.1 -4,-0.1 -3,-0.0 0.907 126.7 27.7 -59.7 -55.1 -7.1 -1.8 11.9 92 117 A N - 0 0 4 -6,-0.6 -3,-3.0 1,-0.1 -4,-0.4 -0.913 65.9-179.8-116.5 97.9 -4.4 0.4 13.6 93 118 A P + 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.516 41.3 126.8 -77.0 -3.4 -5.6 1.4 17.1 94 119 A A S S- 0 0 5 1,-0.1 -6,-2.0 49,-0.1 -5,-0.1 -0.125 78.8 -91.8 -51.4 144.7 -2.3 3.4 17.7 95 120 A N - 0 0 107 -8,-0.2 -1,-0.1 1,-0.1 -6,-0.0 -0.433 35.7-149.2 -59.3 126.0 -2.7 7.0 18.8 96 121 A P + 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.420 64.0 100.6 -83.7 5.8 -2.6 8.9 15.4 97 122 A N S S- 0 0 105 44,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.793 70.0-128.9 -96.9 129.8 -1.0 12.0 16.9 98 123 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 43,-0.2 -0.382 22.9-140.7 -70.0 147.6 2.7 12.9 16.5 99 124 A S E -G 140 0B 45 41,-2.3 41,-2.1 -2,-0.1 2,-0.6 -0.732 5.1-135.8-104.3 159.1 4.6 13.8 19.8 100 125 A L E -G 139 0B 70 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.960 24.2-157.2-117.1 100.4 7.2 16.6 20.3 101 126 A E E -G 138 0B 46 37,-3.3 37,-2.7 -2,-0.6 3,-0.1 -0.695 15.9-148.9 -84.2 136.2 10.0 15.0 22.3 102 127 A E S S+ 0 0 122 -2,-0.3 2,-0.3 35,-0.2 -1,-0.1 0.792 90.1 9.0 -70.7 -27.7 12.3 17.4 24.3 103 128 A S S S- 0 0 79 35,-0.1 35,-0.2 -3,-0.0 -1,-0.1 -0.886 104.7 -78.0-140.5 161.4 15.2 14.9 23.7 104 129 A H - 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