==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 25-FEB-13 4JDM . COMPND 2 MOLECULE: VIRULENCE PLASMID PROTEIN PGP3-D; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR A.GALALELDEEN,A.B.TAYLOR,D.CHEN,S.P.HOLLOWAY,G.ZHONG,P.J.HAR . 1590 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1088 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 463 29.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 168 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 4 2 1 0 0 0 0 0 0 0 0 1 0 1 2 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 5 6 2 8 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 . 6 5 13 8 6 6 23 1 0 6 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 8 2 4 3 3 0 0 1 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 2 A G 0 0 94 0, 0.0 16,-0.2 0, 0.0 276,-0.1 0.000 360.0 360.0 360.0 -25.1 92.2 108.3 50.9 2 3 A N - 0 0 122 14,-0.1 2,-0.2 1,-0.1 275,-0.1 -0.169 360.0-134.1 -96.8-171.8 91.4 112.1 50.9 3 4 A S + 0 0 36 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.788 49.9 66.6-134.6 176.9 88.3 114.3 51.3 4 5 A G E S-A 15 0A 16 11,-0.9 11,-3.0 -2,-0.2 2,-0.3 -0.742 78.7 -46.7 116.6-158.8 86.8 117.3 49.5 5 6 A F E +A 14 0A 57 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.874 53.6 163.5-117.8 156.4 85.3 118.1 46.1 6 7 A Y E -A 13 0A 57 7,-2.6 7,-2.7 -2,-0.3 2,-0.5 -0.954 35.9 -97.2-161.2 173.6 86.7 117.2 42.7 7 8 A L E -A 12 0A 113 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.900 21.3-172.7-111.8 123.5 85.8 116.8 39.0 8 9 A Y E > -A 11 0A 72 3,-3.6 3,-2.4 -2,-0.5 2,-0.4 -0.902 67.8 -65.6-113.0 99.9 84.9 113.5 37.4 9 10 A N T 3 S- 0 0 131 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.437 122.5 -10.4 52.8-109.2 84.7 114.3 33.7 10 11 A T T 3 S+ 0 0 120 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.682 121.9 90.9 -87.7 -16.8 81.8 116.7 33.5 11 12 A E E < -A 8 0A 23 -3,-2.4 -3,-3.6 540,-0.0 2,-0.8 -0.657 61.6-152.2 -92.4 126.2 80.6 116.2 37.1 12 13 A N E +A 7 0A 36 -2,-0.5 539,-2.6 -5,-0.2 540,-0.6 -0.818 35.7 176.1 -89.7 108.6 81.7 118.2 40.1 13 14 A C E -Ab 6 552A 0 -7,-2.7 -7,-2.6 -2,-0.8 2,-0.3 -0.730 32.8-120.3-119.3 161.6 81.4 115.7 43.0 14 15 A V E -Ab 5 553A 3 538,-1.6 540,-2.4 -2,-0.2 2,-0.3 -0.742 31.0-173.9 -91.9 145.7 82.0 115.4 46.7 15 16 A F E +Ab 4 554A 41 -11,-3.0 -11,-0.9 -2,-0.3 2,-0.3 -0.997 15.4 144.4-136.4 144.6 84.4 112.7 47.9 16 17 A A E - b 0 555A 5 538,-0.6 540,-2.4 -2,-0.3 262,-0.2 -0.891 56.4-105.8-155.5-178.8 85.3 111.4 51.3 17 18 A D S S- 0 0 28 260,-4.0 2,-0.2 -2,-0.3 261,-0.2 0.894 100.9 -8.0 -79.2 -45.6 86.2 108.1 53.0 18 19 A N - 0 0 0 259,-0.8 261,-0.5 556,-0.1 2,-0.3 -0.786 69.0-131.8-138.0-176.6 82.8 108.1 54.7 19 20 A I - 0 0 2 -2,-0.2 9,-0.6 259,-0.2 2,-0.4 -0.998 12.5-175.3-148.5 138.0 79.7 110.3 55.3 20 21 A K E +c 280 0B 54 259,-2.4 261,-1.0 -2,-0.3 2,-0.2 -0.902 19.5 164.2-136.6 103.4 77.6 111.5 58.3 21 22 A V E > -c 281 0B 1 -2,-0.4 3,-1.6 259,-0.2 261,-0.2 -0.734 45.2 -9.7-115.7 166.7 74.5 113.6 57.6 22 23 A G T 3 S- 0 0 23 259,-1.1 20,-0.2 1,-0.3 261,-0.1 -0.159 125.7 -5.9 57.5-132.5 71.4 114.6 59.6 23 24 A Q T 3 S+ 0 0 71 18,-1.9 -1,-0.3 17,-0.2 19,-0.2 0.530 98.3 128.7 -77.8 -4.9 70.5 113.0 62.9 24 25 A X < - 0 0 11 -3,-1.6 303,-0.1 17,-0.6 4,-0.1 -0.287 44.3-165.4 -58.3 130.5 73.4 110.6 62.3 25 26 A T S S+ 0 0 108 1,-0.1 -1,-0.2 2,-0.1 -3,-0.1 0.352 76.0 5.5 -99.6 1.9 75.7 110.4 65.3 26 27 A E S S- 0 0 70 -5,-0.2 -5,-0.1 -7,-0.1 -1,-0.1 -0.936 92.9 -80.1-172.1 166.0 78.5 108.7 63.4 27 28 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 0.161 68.1 -55.0 -69.8-166.4 79.1 107.7 59.7 28 29 A L - 0 0 0 -9,-0.6 543,-0.2 4,-0.1 2,-0.1 -0.601 54.8-172.6 -80.6 121.2 77.7 104.6 57.8 29 30 A K > - 0 0 45 -2,-0.5 3,-0.8 1,-0.2 543,-0.3 -0.357 46.6 -40.6 -98.5-176.3 78.3 101.2 59.4 30 31 A D T 3 S+ 0 0 63 1,-0.2 541,-0.3 -2,-0.1 -1,-0.2 -0.138 125.7 2.6 -52.9 134.5 77.7 97.7 57.9 31 32 A Q T 3 S+ 0 0 56 539,-1.3 15,-0.4 1,-0.2 2,-0.4 0.903 98.1 138.9 52.1 50.6 74.3 97.4 56.0 32 33 A Q E < -E 570 0C 42 538,-1.1 538,-2.5 -3,-0.8 2,-0.3 -0.957 29.3-176.5-124.3 143.2 73.4 101.0 56.4 33 34 A I E -EF 569 44C 8 11,-2.4 11,-1.8 -2,-0.4 2,-0.6 -0.936 32.5-107.8-130.4 159.2 71.8 103.5 54.0 34 35 A I E - F 0 43C 7 534,-0.5 265,-0.5 -2,-0.3 2,-0.5 -0.777 38.0-174.7 -91.2 123.8 70.9 107.2 54.2 35 36 A L E -GF 298 42C 8 7,-2.8 7,-2.6 -2,-0.6 2,-0.2 -0.969 21.0-130.3-126.3 122.0 67.2 107.7 54.5 36 37 A G - 0 0 0 261,-4.1 260,-2.5 -2,-0.5 261,-0.3 -0.494 26.4-170.3 -72.7 132.9 65.5 111.0 54.4 37 38 A T - 0 0 5 2,-0.4 260,-0.2 258,-0.3 -1,-0.1 -0.312 44.9 -86.6-103.7-168.2 63.0 111.7 57.2 38 39 A K S S+ 0 0 178 256,-0.2 257,-0.2 2,-0.1 -2,-0.0 0.934 122.7 25.3 -66.1 -46.8 60.5 114.5 57.7 39 40 A S S S- 0 0 60 1,-0.3 -2,-0.4 255,-0.1 -17,-0.0 0.218 132.3 -23.5 -83.5-144.6 63.3 116.5 59.4 40 41 A T S S- 0 0 8 -4,-0.1 -1,-0.3 1,-0.1 -17,-0.2 -0.407 84.2 -91.6 -69.0 144.0 67.0 115.8 58.6 41 42 A P - 0 0 0 0, 0.0 -18,-1.9 0, 0.0 -17,-0.6 -0.109 39.4-152.7 -56.5 150.2 67.9 112.3 57.2 42 43 A V E -F 35 0C 0 -7,-2.6 -7,-2.8 -20,-0.2 2,-0.2 -0.763 22.6-100.8-116.2 167.2 68.9 109.3 59.4 43 44 A A E -F 34 0C 16 283,-0.4 2,-0.3 -2,-0.3 286,-0.3 -0.623 45.6-168.5 -81.3 148.6 71.0 106.2 59.0 44 45 A A E -F 33 0C 0 -11,-1.8 -11,-2.4 -2,-0.2 2,-0.5 -0.991 23.2-142.7-144.9 145.3 68.9 103.1 58.4 45 46 A K E -n 330 0D 91 284,-1.0 286,-1.7 -2,-0.3 2,-0.3 -0.950 24.0-136.0-106.8 127.3 69.2 99.3 58.3 46 47 A X E +n 331 0D 13 -2,-0.5 2,-0.3 -15,-0.4 286,-0.2 -0.667 34.7 171.4 -79.2 137.8 67.2 97.5 55.6 47 48 A T E -n 332 0D 49 284,-2.3 286,-2.2 -2,-0.3 2,-0.4 -0.868 31.3-123.9-141.9 175.1 65.5 94.4 56.9 48 49 A A E -n 333 0D 31 -2,-0.3 3,-0.3 284,-0.2 4,-0.3 -0.921 16.9-162.4-130.9 107.1 62.9 91.7 56.1 49 50 A S S S+ 0 0 46 284,-1.3 2,-0.8 -2,-0.4 269,-0.1 -0.322 83.5 20.1 -74.9 167.1 59.8 90.9 58.2 50 51 A D S S- 0 0 38 284,-0.1 -1,-0.2 -2,-0.1 28,-0.1 0.176 134.0 -73.6 59.6 -17.6 58.1 87.5 57.7 51 52 A G + 0 0 15 -2,-0.8 20,-0.5 -3,-0.3 2,-0.3 0.313 66.4 176.2 91.4 119.3 61.4 86.5 56.2 52 53 A I - 0 0 20 -4,-0.3 18,-0.2 18,-0.1 2,-0.1 -0.952 43.4 -81.8-145.1 155.0 62.4 87.8 52.7 53 54 A S + 0 0 27 16,-4.6 16,-0.5 -2,-0.3 2,-0.3 -0.390 46.2 176.4 -56.5 125.9 65.7 87.3 50.8 54 55 A L + 0 0 54 14,-0.2 2,-0.6 -2,-0.1 14,-0.2 -0.790 6.0 168.1-135.2 98.2 68.3 89.7 51.9 55 56 A T E +H 67 0C 63 12,-1.6 12,-0.9 -2,-0.3 2,-0.5 -0.927 6.3 178.9-116.6 113.6 71.6 89.1 50.2 56 57 A V E -H 66 0C 43 -2,-0.6 2,-0.9 10,-0.2 3,-0.2 -0.957 16.4-163.7-119.4 121.7 74.5 91.6 50.4 57 58 A S + 0 0 37 8,-1.7 8,-0.3 -2,-0.5 -2,-0.0 -0.814 29.5 149.9 -98.5 91.6 77.9 91.3 48.9 58 59 A N + 0 0 23 -2,-0.9 -1,-0.2 6,-0.1 6,-0.1 0.820 68.0 68.3 -82.2 -39.3 80.0 93.9 50.7 59 60 A N S S+ 0 0 143 -3,-0.2 2,-0.8 1,-0.1 -1,-0.1 0.878 91.7 63.7 -42.6 -53.2 83.2 91.7 50.2 60 61 A S - 0 0 44 1,-0.1 5,-0.1 5,-0.1 -1,-0.1 -0.739 69.4-171.0 -77.0 109.8 83.1 92.4 46.4 61 62 A S + 0 0 42 -2,-0.8 2,-0.4 2,-0.1 498,-0.3 0.282 68.7 70.8 -89.7 10.0 83.6 96.1 46.3 62 63 A T S S- 0 0 94 1,-0.1 3,-0.1 496,-0.1 516,-0.0 -0.996 115.3 -3.5-129.0 133.9 82.8 96.0 42.6 63 64 A N S S+ 0 0 147 -2,-0.4 -1,-0.1 1,-0.2 516,-0.1 0.771 88.7 174.7 51.1 31.1 79.2 95.4 41.3 64 65 A A + 0 0 4 513,-0.2 515,-1.1 -6,-0.1 2,-0.3 -0.291 6.4 176.4 -61.7 149.2 78.2 94.9 44.9 65 66 A S E - 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