==== 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 3VDK . 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) . 5817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 47.9 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 . 11 15.5 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 1 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 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 0 282 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.0 -10.6 25.1 17.1 2 307 A V - 0 0 109 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.390 360.0-149.4 -61.6 133.8 -9.0 26.4 20.3 3 308 A E - 0 0 153 2,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.808 4.7-157.0 -79.6 -31.4 -5.5 25.1 20.6 4 309 A F + 0 0 177 1,-0.2 -2,-0.1 0, 0.0 -1,-0.0 0.869 57.8 111.1 50.1 38.7 -5.1 25.0 24.4 5 310 A E S S- 0 0 124 58,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.951 79.8 -95.3-131.9 155.1 -1.3 25.2 23.9 6 311 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 30,-0.0 -0.472 43.1-129.3 -70.8 147.4 1.0 28.0 24.8 7 312 A S > - 0 0 58 1,-0.1 4,-2.2 -2,-0.1 3,-0.2 -0.689 9.2-126.1 -96.3 150.5 1.7 30.2 21.8 8 313 A D H > S+ 0 0 95 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.868 110.7 57.4 -59.3 -38.0 5.2 31.3 20.5 9 314 A K H > S+ 0 0 166 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 109.6 44.8 -60.1 -40.9 4.2 34.9 20.7 10 315 A H H > S+ 0 0 112 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.876 110.8 52.2 -73.1 -37.8 3.4 34.6 24.4 11 316 A I H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.908 108.4 52.3 -63.9 -39.4 6.5 32.6 25.2 12 317 A K H X S+ 0 0 111 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.881 106.3 53.8 -63.8 -36.8 8.6 35.3 23.5 13 318 A E H X S+ 0 0 120 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.901 108.2 49.8 -62.0 -40.8 6.8 37.9 25.7 14 319 A Y H X S+ 0 0 20 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.891 105.2 57.5 -64.4 -41.6 7.8 35.8 28.8 15 320 A L H < S+ 0 0 26 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.884 106.7 49.2 -53.1 -42.0 11.4 35.8 27.5 16 321 A N H >< S+ 0 0 108 -4,-1.8 3,-0.9 1,-0.2 4,-0.2 0.938 111.1 50.8 -61.7 -46.6 11.4 39.6 27.5 17 322 A K H 3< S+ 0 0 153 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.912 120.4 30.7 -59.0 -48.5 10.0 39.6 31.1 18 323 A I T >X S+ 0 0 20 -4,-2.5 3,-1.7 1,-0.2 4,-1.0 0.193 81.2 120.7-100.3 19.9 12.6 37.2 32.6 19 324 A Q T <4 S+ 0 0 63 -3,-0.9 3,-0.3 -4,-0.4 -1,-0.2 0.796 70.3 57.2 -57.3 -34.3 15.6 38.1 30.4 20 325 A N T 34 S+ 0 0 150 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.745 115.7 36.1 -69.3 -24.0 17.8 39.2 33.3 21 326 A S T <4 S+ 0 0 77 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.420 85.8 127.5-106.1 -0.9 17.4 35.9 35.1 22 327 A L < + 0 0 34 -4,-1.0 2,-0.2 -3,-0.3 18,-0.1 -0.373 32.3 140.2 -60.8 127.1 17.4 33.7 31.9 23 328 A S - 0 0 47 2,-0.6 18,-2.7 16,-0.2 4,-0.1 -0.742 69.5 -76.5-148.4-168.4 20.0 31.0 32.3 24 329 A T S S+ 0 0 45 16,-0.2 2,-0.3 -2,-0.2 -2,-0.1 0.492 108.2 84.1 -81.7 -3.7 20.7 27.3 31.5 25 330 A E S S- 0 0 129 1,-0.1 -2,-0.6 17,-0.1 16,-0.2 -0.781 99.8 -91.9 -91.8 145.2 18.5 26.5 34.6 26 331 A W - 0 0 80 -2,-0.3 14,-0.2 14,-0.1 3,-0.1 -0.265 42.9-123.2 -54.8 137.5 14.7 26.4 34.1 27 332 A S - 0 0 10 12,-2.3 3,-0.1 1,-0.2 -1,-0.1 -0.240 37.0 -83.5 -69.8 167.2 13.0 29.7 34.7 28 333 A P - 0 0 83 0, 0.0 11,-0.3 0, 0.0 -1,-0.2 -0.354 62.0 -83.8 -60.7 157.1 10.2 30.1 37.2 29 334 A a - 0 0 28 1,-0.1 9,-0.2 9,-0.1 34,-0.1 -0.426 35.9-127.9 -61.1 138.1 6.8 29.1 35.9 30 335 A S S S+ 0 0 33 7,-2.2 2,-0.3 -2,-0.1 -1,-0.1 0.660 89.2 45.4 -64.9 -17.3 5.3 32.0 34.0 31 336 A V - 0 0 40 6,-0.1 5,-0.1 3,-0.1 3,-0.1 -0.851 63.4-148.2-125.7 160.8 2.0 31.7 36.0 32 337 A T S S+ 0 0 125 -2,-0.3 35,-0.4 1,-0.3 2,-0.3 0.489 91.3 22.5-105.7 -8.0 1.1 31.3 39.7 33 338 A b S S+ 0 0 31 33,-0.2 -1,-0.3 2,-0.1 35,-0.2 -0.979 112.9 7.3-149.8 156.2 -2.1 29.4 38.8 34 339 A G S S- 0 0 19 33,-2.2 32,-3.2 -2,-0.3 2,-0.4 -0.327 105.3 -21.3 73.5-156.5 -3.2 27.3 35.8 35 340 A N E +A 65 0A 106 30,-0.2 30,-0.2 -5,-0.1 2,-0.2 -0.724 69.7 143.1 -94.2 136.9 -1.0 26.5 32.8 36 341 A G E -A 64 0A 10 28,-2.9 28,-1.7 -2,-0.4 2,-0.3 -0.649 38.7 -95.5-144.1-155.4 2.1 28.4 31.9 37 342 A I E -A 63 0A 10 26,-0.3 -7,-2.2 -2,-0.2 2,-0.4 -0.941 13.0-157.0-134.2 154.1 5.6 28.0 30.5 38 343 A Q E -A 62 0A 40 24,-2.4 24,-2.3 -2,-0.3 2,-0.3 -0.977 21.3-172.7-122.3 145.0 9.2 27.5 31.8 39 344 A V E +A 61 0A 0 -2,-0.4 -12,-2.3 -11,-0.3 2,-0.3 -0.913 9.9 169.8-133.7 159.1 12.1 28.4 29.5 40 345 A R E -A 60 0A 57 20,-1.9 20,-3.4 -2,-0.3 2,-0.4 -0.979 39.7 -95.5-158.2 161.5 15.9 28.1 29.5 41 346 A I E -A 59 0A 24 -18,-2.7 18,-0.2 -2,-0.3 5,-0.1 -0.683 50.2-107.8 -76.0 132.2 18.9 28.5 27.3 42 347 A K > - 0 0 93 16,-3.0 3,-3.0 -2,-0.4 4,-0.2 -0.408 26.9-122.2 -59.9 131.1 19.9 25.2 25.8 43 348 A P G > S+ 0 0 72 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.828 111.7 56.9 -47.3 -40.6 23.2 24.1 27.5 44 349 A G G 3 S+ 0 0 70 1,-0.3 3,-0.2 2,-0.1 -2,-0.1 0.533 105.9 52.5 -69.7 -5.7 25.0 23.9 24.2 45 350 A S G X S+ 0 0 9 -3,-3.0 3,-1.7 13,-0.2 -1,-0.3 0.242 71.8 109.9-111.4 12.7 24.1 27.6 23.6 46 351 A A T < S+ 0 0 58 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.746 75.1 57.8 -62.3 -23.0 25.5 28.9 26.9 47 352 A N T 3 S+ 0 0 163 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.597 84.2 105.6 -83.3 -12.6 28.3 30.7 25.1 48 353 A K S < S- 0 0 94 -3,-1.7 5,-0.1 1,-0.1 2,-0.1 -0.359 74.2-114.7 -72.9 144.4 26.1 32.8 22.9 49 354 A P > - 0 0 62 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.398 32.0-107.1 -69.8 159.6 25.6 36.5 23.4 50 355 A K G > S+ 0 0 132 1,-0.3 3,-0.8 2,-0.1 -2,-0.1 0.835 117.8 58.2 -53.1 -36.8 22.1 37.6 24.3 51 356 A D G 3 S+ 0 0 138 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.320 102.3 53.4 -85.3 8.3 21.6 39.1 20.9 52 357 A E G < S+ 0 0 129 -3,-1.9 2,-0.7 2,-0.1 -1,-0.2 -0.102 70.9 127.8-131.7 38.3 22.2 35.8 19.0 53 358 A L < - 0 0 44 -3,-0.8 2,-0.4 -5,-0.1 3,-0.1 -0.863 49.8-146.3 -95.2 113.7 19.8 33.4 20.7 54 359 A D >> - 0 0 76 -2,-0.7 4,-2.8 1,-0.1 5,-0.8 -0.684 7.8-141.5 -79.9 126.7 17.6 31.7 18.1 55 360 A Y H >5S+ 0 0 38 -2,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.905 97.1 40.1 -55.1 -45.3 14.1 31.0 19.5 56 361 A A H 45S+ 0 0 67 1,-0.1 -1,-0.2 2,-0.1 -2,-0.0 0.905 129.2 25.8 -74.7 -40.3 13.6 27.6 17.9 57 362 A N H 45S+ 0 0 108 1,-0.1 -2,-0.2 3,-0.1 -1,-0.1 0.743 125.3 39.2 -98.9 -29.6 17.2 26.2 18.5 58 363 A D H <5S+ 0 0 7 -4,-2.8 -16,-3.0 -17,-0.1 2,-0.4 0.639 104.4 66.9-102.3 -18.2 18.7 28.0 21.4 59 364 A I E << -A 41 0A 10 -5,-0.8 2,-0.3 -4,-0.6 -18,-0.2 -0.882 64.7-154.9-107.6 133.6 15.7 28.2 23.8 60 365 A E E -A 40 0A 59 -20,-3.4 -20,-1.9 -2,-0.4 2,-0.4 -0.846 13.3-167.8-103.9 147.2 14.1 25.2 25.5 61 366 A K E +A 39 0A 66 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.2 -0.984 10.3 176.4-135.4 143.8 10.5 25.4 26.6 62 367 A K E -A 38 0A 88 -24,-2.3 -24,-2.4 -2,-0.4 2,-0.2 -0.994 32.3-112.4-146.7 146.1 8.2 23.2 28.8 63 368 A I E -A 37 0A 68 -2,-0.3 2,-0.4 -26,-0.2 -26,-0.3 -0.498 30.0-163.0 -73.9 138.6 4.7 23.5 30.0 64 369 A a E -A 36 0A 13 -28,-1.7 -28,-2.9 -2,-0.2 2,-0.5 -0.973 3.0-155.2-121.9 144.4 4.3 24.1 33.8 65 370 A K E -A 35 0A 161 -2,-0.4 -30,-0.2 -30,-0.2 2,-0.1 -0.965 12.1-178.0-124.6 116.6 1.0 23.5 35.6 66 371 A M - 0 0 87 -32,-3.2 -32,-0.2 -2,-0.5 -33,-0.2 -0.395 44.2 -63.3 -98.5-176.7 0.2 25.3 38.9 67 372 A E S S- 0 0 164 -35,-0.4 -33,-2.2 1,-0.1 -1,-0.2 -0.214 72.0 -74.6 -66.9 160.3 -2.9 24.9 41.1 68 373 A K - 0 0 187 -35,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.191 54.9-104.0 -57.8 142.3 -6.3 25.9 39.7 69 374 A b - 0 0 64 -3,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.505 38.6-128.9 -71.5 135.0 -6.9 29.7 39.5 70 375 A P 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -37,-0.0 -0.395 360.0 360.0 -84.0 159.8 -9.2 31.0 42.3 71 376 A H 0 0 245 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.648 360.0 360.0 -86.0 360.0 -12.3 33.1 41.9