==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL INVASION 05-JAN-12 3VDJ . COMPND 2 MOLECULE: CIRCUMSPOROZOITE (CS) PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.B.DOUD,A.C.KOKSAL,L.Z.MI,G.SONG,C.LU,T.A.SPRINGER . 71 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 49.3 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 . 8 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 1 0 0 0 0 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 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 306 A Y 0 0 272 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.6 -10.6 -13.3 2.5 2 307 A V - 0 0 106 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.468 360.0-148.0 -66.2 132.0 -9.1 -11.9 5.7 3 308 A E - 0 0 151 -2,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.858 4.7-157.7 -74.5 -38.9 -5.5 -13.2 6.0 4 309 A F + 0 0 176 1,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.855 58.3 106.8 56.3 37.4 -5.2 -13.5 9.8 5 310 A E S S- 0 0 123 58,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.963 81.2 -94.7-135.2 154.5 -1.4 -13.3 9.4 6 311 A P - 0 0 57 0, 0.0 2,-0.3 0, 0.0 30,-0.0 -0.429 43.4-129.3 -68.0 144.2 1.0 -10.4 10.2 7 312 A S > - 0 0 60 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.677 10.0-125.6 -97.0 152.1 1.8 -8.2 7.2 8 313 A D H > S+ 0 0 95 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.873 111.6 57.9 -60.2 -37.5 5.2 -7.2 6.0 9 314 A K H > S+ 0 0 166 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.923 110.1 43.0 -56.6 -45.0 4.2 -3.5 6.1 10 315 A H H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.840 111.8 53.1 -72.9 -34.8 3.4 -3.9 9.8 11 316 A I H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.910 108.0 51.5 -67.3 -39.0 6.5 -5.9 10.6 12 317 A K H X S+ 0 0 112 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.858 106.3 55.1 -64.3 -34.9 8.6 -3.2 8.9 13 318 A E H X S+ 0 0 116 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.925 107.7 49.3 -61.9 -41.3 6.8 -0.6 11.1 14 319 A Y H X S+ 0 0 21 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.888 104.9 58.1 -65.8 -37.8 7.9 -2.6 14.2 15 320 A L H X S+ 0 0 27 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.894 106.6 48.9 -58.0 -40.8 11.5 -2.7 12.9 16 321 A N H >< S+ 0 0 114 -4,-1.8 3,-0.7 1,-0.2 4,-0.2 0.936 111.2 51.3 -62.2 -43.1 11.4 1.1 12.9 17 322 A K H 3< S+ 0 0 153 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.922 120.6 29.8 -60.1 -48.9 10.0 1.1 16.5 18 323 A I H >X S+ 0 0 20 -4,-2.6 3,-1.9 1,-0.2 4,-1.0 0.245 81.0 121.3-100.9 17.1 12.6 -1.3 18.1 19 324 A Q T << S+ 0 0 74 -3,-0.7 3,-0.3 -4,-0.5 -1,-0.2 0.778 70.3 58.0 -52.2 -34.2 15.6 -0.4 15.8 20 325 A N T 34 S+ 0 0 156 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.755 115.4 34.5 -70.0 -25.1 17.8 0.7 18.8 21 326 A S T <4 S+ 0 0 78 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.366 86.7 127.2-108.8 1.7 17.5 -2.6 20.6 22 327 A L < + 0 0 37 -4,-1.0 2,-0.2 -3,-0.3 18,-0.1 -0.397 31.9 136.2 -61.4 129.7 17.4 -4.8 17.4 23 328 A S S S- 0 0 49 2,-0.6 18,-2.8 16,-0.2 4,-0.1 -0.779 71.2 -70.9-153.6-165.2 20.1 -7.5 17.7 24 329 A T S S+ 0 0 50 16,-0.2 2,-0.4 -2,-0.2 -2,-0.1 0.448 108.9 83.4 -82.7 -0.8 20.7 -11.3 17.0 25 330 A E S S- 0 0 133 1,-0.1 -2,-0.6 17,-0.1 16,-0.2 -0.812 99.1 -92.6 -97.2 145.1 18.5 -12.0 20.1 26 331 A W - 0 0 66 -2,-0.4 14,-0.2 14,-0.1 3,-0.1 -0.274 42.3-124.7 -56.5 137.7 14.7 -12.1 19.5 27 332 A S - 0 0 9 12,-2.2 3,-0.1 1,-0.2 -1,-0.1 -0.185 37.4 -81.8 -68.7 169.2 13.0 -8.7 20.2 28 333 A P - 0 0 83 0, 0.0 11,-0.3 0, 0.0 -1,-0.2 -0.338 62.3 -84.8 -61.1 158.5 10.1 -8.4 22.7 29 334 A a - 0 0 25 1,-0.1 9,-0.2 9,-0.1 34,-0.1 -0.476 36.6-126.5 -62.4 140.1 6.8 -9.4 21.3 30 335 A S S S+ 0 0 37 7,-1.9 2,-0.3 -2,-0.1 -1,-0.1 0.638 89.9 44.4 -65.1 -17.3 5.3 -6.4 19.4 31 336 A V - 0 0 45 3,-0.1 5,-0.1 6,-0.1 -2,-0.1 -0.858 63.6-147.7-125.4 160.9 2.0 -6.6 21.4 32 337 A T S S+ 0 0 121 -2,-0.3 35,-0.4 1,-0.2 2,-0.3 0.456 90.7 24.3-104.8 -6.8 1.1 -7.1 25.1 33 338 A b S S+ 0 0 28 33,-0.2 -1,-0.2 2,-0.1 35,-0.2 -0.979 113.0 6.3-150.5 156.6 -2.1 -9.0 24.2 34 339 A G S S- 0 0 21 33,-2.4 32,-3.2 -2,-0.3 2,-0.4 -0.321 105.3 -23.8 70.0-155.3 -3.3 -11.1 21.2 35 340 A N E +A 65 0A 104 30,-0.2 30,-0.2 -5,-0.1 2,-0.2 -0.760 68.4 140.8 -98.3 139.8 -1.0 -11.9 18.3 36 341 A G E -A 64 0A 9 28,-2.9 28,-1.6 -2,-0.4 2,-0.3 -0.588 39.9 -90.4-145.5-152.1 2.1 -10.0 17.2 37 342 A I E -A 63 0A 10 26,-0.3 -7,-1.9 -2,-0.2 2,-0.4 -0.965 14.4-156.8-135.4 149.0 5.6 -10.5 15.9 38 343 A Q E -A 62 0A 38 24,-2.6 24,-2.3 -2,-0.3 2,-0.3 -0.966 20.4-171.1-116.9 147.4 9.1 -10.9 17.2 39 344 A V E +A 61 0A 0 -2,-0.4 -12,-2.2 -11,-0.3 2,-0.3 -0.936 10.7 170.0-134.5 155.2 12.1 -10.1 15.0 40 345 A R E -A 60 0A 61 20,-1.8 20,-3.0 -2,-0.3 2,-0.4 -0.977 38.8 -99.9-153.7 161.9 15.9 -10.5 15.1 41 346 A I E -A 59 0A 24 -18,-2.8 18,-0.2 -2,-0.3 5,-0.1 -0.735 47.5-107.8 -79.9 132.1 18.9 -10.1 12.8 42 347 A K > - 0 0 67 16,-2.6 3,-2.6 -2,-0.4 4,-0.2 -0.387 25.5-123.8 -57.6 135.1 20.1 -13.4 11.4 43 348 A P G > S+ 0 0 83 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.846 112.4 56.9 -51.1 -38.6 23.4 -14.3 13.0 44 349 A G G 3 S+ 0 0 79 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.547 106.5 51.4 -71.2 -6.6 25.1 -14.5 9.6 45 350 A S G X S+ 0 0 10 -3,-2.6 3,-1.7 13,-0.2 -1,-0.3 0.283 75.6 106.9-108.5 7.9 24.1 -10.9 9.1 46 351 A A T < S+ 0 0 57 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.721 75.0 56.6 -63.3 -23.0 25.5 -9.6 12.3 47 352 A N T 3 S+ 0 0 165 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.577 85.5 105.4 -84.4 -11.6 28.4 -7.8 10.6 48 353 A K S < S- 0 0 97 -3,-1.7 2,-0.1 1,-0.1 5,-0.1 -0.379 74.7-113.2 -73.9 146.9 26.2 -5.7 8.3 49 354 A P > - 0 0 61 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.413 31.3-108.8 -70.5 156.6 25.6 -2.0 8.8 50 355 A K G > S+ 0 0 154 1,-0.3 3,-0.9 2,-0.1 -2,-0.1 0.833 117.3 59.2 -53.9 -35.7 22.1 -0.9 9.7 51 356 A D G 3 S+ 0 0 134 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.317 102.3 53.2 -83.9 10.9 21.6 0.6 6.2 52 357 A E G < S+ 0 0 129 -3,-2.0 2,-0.7 2,-0.1 -1,-0.2 -0.013 71.6 127.8-131.7 33.5 22.2 -2.7 4.4 53 358 A L < - 0 0 47 -3,-0.9 2,-0.4 -5,-0.1 3,-0.0 -0.810 49.5-145.6 -93.5 114.1 19.8 -5.1 6.0 54 359 A D >> - 0 0 76 -2,-0.7 4,-2.4 1,-0.1 5,-0.8 -0.629 7.0-143.1 -76.1 128.9 17.6 -6.9 3.6 55 360 A Y H >5S+ 0 0 38 -2,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.919 96.5 39.7 -58.1 -46.2 14.1 -7.5 5.0 56 361 A A H 45S+ 0 0 60 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.865 130.0 25.0 -74.4 -35.6 13.5 -10.9 3.4 57 362 A N H 45S+ 0 0 105 1,-0.1 -2,-0.2 3,-0.1 -1,-0.1 0.715 123.9 40.7-107.1 -28.5 17.0 -12.3 3.9 58 363 A D H <5S+ 0 0 9 -4,-2.4 -16,-2.6 -17,-0.1 2,-0.4 0.612 104.7 67.8-102.0 -14.9 18.7 -10.6 6.9 59 364 A I E << -A 41 0A 6 -5,-0.8 2,-0.4 -4,-0.6 -18,-0.2 -0.907 65.3-154.2-110.1 131.7 15.8 -10.3 9.3 60 365 A E E -A 40 0A 52 -20,-3.0 -20,-1.8 -2,-0.4 2,-0.3 -0.839 15.0-168.0-100.2 143.7 14.1 -13.3 11.0 61 366 A K E +A 39 0A 65 -2,-0.4 2,-0.3 -22,-0.2 -22,-0.2 -0.963 10.4 177.6-131.1 147.6 10.5 -13.1 12.1 62 367 A K E -A 38 0A 88 -24,-2.3 -24,-2.6 -2,-0.3 2,-0.2 -0.988 31.4-113.7-149.0 141.9 8.2 -15.2 14.3 63 368 A I E -A 37 0A 70 -2,-0.3 2,-0.4 -26,-0.2 -26,-0.3 -0.487 29.8-160.3 -68.4 138.2 4.6 -14.9 15.4 64 369 A a E -A 36 0A 11 -28,-1.6 -28,-2.9 -2,-0.2 2,-0.5 -0.972 3.1-154.8-121.6 142.2 4.1 -14.4 19.2 65 370 A K E -A 35 0A 157 -2,-0.4 -30,-0.2 -30,-0.2 2,-0.1 -0.939 15.2-179.3-123.9 111.0 0.9 -15.0 21.0 66 371 A M - 0 0 88 -32,-3.2 -32,-0.2 -2,-0.5 -33,-0.2 -0.276 42.0 -58.5 -96.5-177.1 0.1 -13.2 24.2 67 372 A E S S- 0 0 142 -35,-0.4 -33,-2.4 1,-0.1 -1,-0.2 -0.201 72.4 -77.7 -63.1 155.8 -2.8 -13.3 26.6 68 373 A K - 0 0 185 -35,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.240 54.5-105.5 -53.7 134.8 -6.3 -12.5 25.3 69 374 A b - 0 0 61 -3,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.466 38.3-130.2 -66.3 132.5 -6.9 -8.8 24.9 70 375 A P 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 -0.455 360.0 360.0 -84.3 155.4 -9.2 -7.4 27.7 71 376 A H 0 0 244 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.569 360.0 360.0 -81.8 360.0 -12.3 -5.3 27.3