==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 28-MAY-08 3D9X . COMPND 2 MOLECULE: ADHESIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BARTONELLA HENSELAE; . AUTHOR K.ZETH,A.LUPAS,J.MARTIN . 339 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15023.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 26.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 3.2 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 . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 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 7 4 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 PARALLEL BRIDGES PER LADDER . 3 0 10 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 0 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 1 385 A G 0 0 62 0, 0.0 2,-0.2 0, 0.0 243,-0.1 0.000 360.0 360.0 360.0 83.4 26.2 20.4 7.1 2 386 A G - 0 0 13 15,-0.2 243,-3.4 14,-0.1 2,-0.3 -0.155 360.0-147.8 90.2 90.1 26.4 21.2 4.4 3 387 A W E -A 15 0A 7 12,-1.8 12,-3.0 -2,-0.2 2,-0.4 -0.934 19.3-116.1-129.4 159.3 24.6 19.3 1.7 4 388 A N E -Ab 14 247A 34 242,-2.6 244,-2.5 -2,-0.3 2,-0.4 -0.824 21.9-161.9-100.2 132.4 25.6 18.7 -1.9 5 389 A L E -Ab 13 248A 0 8,-2.6 8,-2.0 -2,-0.4 2,-0.3 -0.955 9.1-179.8-110.8 131.2 23.8 20.1 -4.9 6 390 A T E - b 0 249A 18 242,-2.4 244,-2.4 -2,-0.4 2,-0.4 -0.929 13.1-155.2-122.1 154.9 24.2 18.7 -8.5 7 391 A V E > S- b 0 250A 3 -2,-0.3 3,-1.4 4,-0.2 244,-0.2 -0.998 82.5 -11.7-128.1 125.2 22.5 19.8 -11.7 8 392 A N T 3 S- 0 0 72 242,-2.0 243,-0.1 -2,-0.4 -1,-0.1 0.888 127.6 -61.6 48.7 41.8 22.1 17.3 -14.5 9 393 A N T 3 S+ 0 0 129 241,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.799 99.7 145.0 56.8 32.2 24.6 15.1 -12.6 10 394 A D < - 0 0 59 -3,-1.4 2,-0.1 1,-0.2 -1,-0.1 0.028 57.8 -54.3 -77.7-162.4 27.3 17.7 -12.7 11 395 A N - 0 0 109 1,-0.1 -4,-0.2 -5,-0.1 -1,-0.2 -0.402 64.6 -87.2 -78.8 157.0 29.7 18.2 -9.9 12 396 A N - 0 0 92 -6,-0.1 2,-0.5 -2,-0.1 -6,-0.2 -0.355 33.9-167.7 -57.8 133.7 28.8 18.8 -6.2 13 397 A T E -A 5 0A 13 -8,-2.0 -8,-2.6 -2,-0.1 2,-0.3 -0.999 23.6-131.6-115.8 124.7 28.3 22.4 -5.2 14 398 A V E -A 4 0A 80 -2,-0.5 2,-0.7 -10,-0.2 -10,-0.2 -0.595 12.9-160.4 -82.2 133.7 28.2 22.6 -1.4 15 399 A V E -A 3 0A 0 -12,-3.0 -12,-1.8 -2,-0.3 3,-0.1 -0.948 29.8-154.2-107.2 102.0 25.4 24.5 0.3 16 400 A S > - 0 0 61 -2,-0.7 3,-2.7 -14,-0.2 2,-0.2 -0.251 28.1 -79.0 -77.8 163.1 27.1 25.0 3.6 17 401 A S T 3 S+ 0 0 77 1,-0.3 101,-0.2 101,-0.1 -15,-0.2 -0.449 127.2 11.5 -54.7 122.5 25.6 25.6 7.0 18 402 A G T 3 S+ 0 0 53 99,-2.5 -1,-0.3 -2,-0.2 100,-0.2 0.478 110.1 121.4 78.5 1.1 24.6 29.3 6.9 19 403 A G < - 0 0 14 -3,-2.7 100,-2.9 98,-0.1 2,-0.3 0.047 53.1-122.2 -82.2-164.1 25.3 29.3 3.2 20 404 A A E -e 119 0B 48 98,-0.2 2,-0.3 -3,-0.1 100,-0.2 -0.970 15.8-165.6-147.8 153.8 23.0 30.2 0.3 21 405 A L E -e 120 0B 9 98,-2.2 100,-2.1 -2,-0.3 2,-0.4 -0.984 11.1-160.2-141.0 133.6 21.4 29.0 -2.9 22 406 A D E -ef 121 267B 10 244,-2.6 246,-2.4 -2,-0.3 2,-0.5 -0.954 0.1-163.5-115.6 131.3 19.6 31.1 -5.5 23 407 A L E +ef 122 268B 5 98,-2.4 100,-2.2 -2,-0.4 2,-0.3 -0.965 21.6 175.7-109.8 129.0 17.2 29.7 -8.1 24 408 A S E - f 0 269B 14 244,-2.7 246,-2.8 -2,-0.5 2,-0.4 -0.917 28.8-121.7-136.9 158.8 16.5 32.0 -11.0 25 409 A S E - f 0 270B 26 -2,-0.3 246,-0.2 244,-0.2 3,-0.1 -0.827 8.9-151.1 -98.4 139.1 14.7 32.2 -14.3 26 410 A G S S- 0 0 43 244,-2.7 2,-0.3 -2,-0.4 245,-0.2 0.604 74.7 -1.9 -79.7 -14.1 16.4 32.8 -17.5 27 411 A S S > S- 0 0 21 243,-0.4 3,-1.8 3,-0.3 -1,-0.1 -0.989 77.9 -89.6-166.9 168.6 13.5 34.5 -19.2 28 412 A K T 3 S+ 0 0 138 -2,-0.3 18,-0.0 1,-0.3 243,-0.0 0.635 112.1 74.8 -65.0 -13.3 9.8 35.6 -19.0 29 413 A N T 3 S+ 0 0 0 1,-0.1 17,-2.6 243,-0.1 2,-0.5 0.695 96.2 51.5 -71.8 -20.5 8.8 32.2 -20.4 30 414 A L E < S-I 45 0C 3 -3,-1.8 2,-0.4 15,-0.2 -3,-0.3 -0.986 73.0-161.2-123.1 124.6 9.5 30.6 -17.1 31 415 A K E -I 44 0C 92 13,-2.9 13,-2.4 -2,-0.5 2,-0.4 -0.872 5.5-172.1-105.1 132.6 8.1 31.9 -13.9 32 416 A I E -I 43 0C 16 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.993 10.3-166.9-126.3 124.2 9.5 31.1 -10.4 33 417 A V E +I 42 0C 90 9,-3.1 9,-2.7 -2,-0.4 2,-0.3 -0.944 19.7 145.9-120.1 127.9 7.5 32.2 -7.4 34 418 A K - 0 0 12 -2,-0.4 2,-0.2 7,-0.2 7,-0.1 -0.973 25.1-152.1-148.8 151.7 8.5 32.4 -3.8 35 419 A D - 0 0 74 5,-0.5 3,-0.1 3,-0.4 -2,-0.0 -0.651 30.3-108.6-119.6-179.9 7.7 34.7 -0.9 36 420 A G S S+ 0 0 30 -2,-0.2 3,-0.1 1,-0.2 90,-0.0 0.485 108.4 59.8 -86.7 -1.4 9.6 35.8 2.2 37 421 A K S S+ 0 0 177 1,-0.2 2,-0.3 91,-0.1 -1,-0.2 0.801 107.0 28.8 -97.5 -35.0 7.3 33.9 4.6 38 422 A K - 0 0 129 2,-0.2 -3,-0.4 -3,-0.1 -1,-0.2 -0.907 69.2-126.4-131.4 154.7 7.6 30.2 3.5 39 423 A N + 0 0 25 -2,-0.3 89,-0.1 96,-0.3 97,-0.1 0.750 69.1 125.3 -69.5 -18.6 10.3 28.1 1.9 40 424 A N - 0 0 69 95,-0.1 -5,-0.5 1,-0.1 2,-0.4 -0.017 40.6-167.0 -53.9 132.3 7.8 27.0 -0.9 41 425 A V E - j 0 138C 0 96,-2.6 98,-2.7 -7,-0.1 2,-0.4 -0.982 3.1-163.7-124.3 133.0 8.8 27.6 -4.5 42 426 A T E -Ij 33 139C 50 -9,-2.7 -9,-3.1 -2,-0.4 2,-0.4 -0.968 5.0-163.9-118.3 130.4 6.4 27.3 -7.5 43 427 A F E +Ij 32 140C 1 96,-2.7 98,-2.9 -2,-0.4 99,-0.4 -0.895 15.9 165.6-112.5 142.4 7.6 27.0 -11.1 44 428 A D E -I 31 0C 36 -13,-2.4 -13,-2.9 -2,-0.4 2,-0.4 -0.986 35.9-116.9-153.9 160.9 5.5 27.5 -14.2 45 429 A V E -I 30 0C 2 -2,-0.3 -15,-0.2 -15,-0.2 99,-0.1 -0.806 43.0-109.5 -91.6 136.5 5.5 28.1 -17.9 46 430 A A - 0 0 8 -17,-2.6 3,-0.1 -2,-0.4 -17,-0.1 -0.402 14.7-137.6 -63.8 144.2 4.1 31.4 -19.1 47 431 A R S S+ 0 0 116 1,-0.2 120,-2.5 119,-0.1 121,-1.9 0.675 99.5 53.4 -80.1 -13.6 0.8 31.1 -20.9 48 432 A D E S-m 168 0D 85 119,-0.2 2,-0.3 118,-0.2 121,-0.2 -0.973 84.1-169.8-116.8 107.6 2.0 33.6 -23.5 49 433 A L E -m 169 0D 2 119,-2.4 121,-2.5 -2,-0.5 2,-0.5 -0.738 21.1-152.1-101.1 151.6 5.3 32.3 -24.8 50 434 A T E +m 170 0D 32 -2,-0.3 2,-0.3 119,-0.2 121,-0.2 -0.987 34.3 164.4-118.5 117.1 7.9 33.9 -27.0 51 435 A L - 0 0 3 119,-2.2 121,-0.2 -2,-0.5 224,-0.2 -0.844 45.2-145.0-133.4 161.0 9.8 31.2 -29.0 52 436 A K S S- 0 0 89 222,-2.7 11,-0.9 1,-0.3 2,-0.3 0.794 82.4 -12.6 -90.7 -41.2 12.0 30.6 -32.0 53 437 A S E -St 62 275E 28 221,-2.1 223,-2.5 9,-0.2 2,-0.4 -0.996 46.5-154.8-159.7 159.4 10.6 27.3 -33.1 54 438 A I E -St 61 276E 0 7,-2.4 7,-2.4 -2,-0.3 2,-0.5 -0.994 11.1-161.5-137.4 129.8 8.4 24.3 -32.3 55 439 A K E +St 60 277E 101 221,-2.7 223,-2.3 -2,-0.4 2,-0.4 -0.973 12.7 174.2-112.3 127.2 8.7 20.9 -33.8 56 440 A L E > -S 59 0E 0 3,-3.3 3,-2.3 -2,-0.5 2,-0.2 -0.838 66.9 -76.4-130.0 84.3 5.8 18.4 -33.6 57 441 A D T 3 S- 0 0 109 -2,-0.4 -1,-0.2 1,-0.3 234,-0.1 -0.399 118.3 -4.3 52.2-116.7 7.1 15.5 -35.6 58 442 A G T 3 S+ 0 0 26 232,-0.4 11,-2.8 -2,-0.2 2,-0.5 0.428 121.2 89.3 -82.9 1.0 6.7 16.6 -39.3 59 443 A V E < -SU 56 68E 1 -3,-2.3 -3,-3.3 9,-0.2 2,-0.4 -0.862 55.2-178.0-100.8 130.1 5.1 19.9 -38.3 60 444 A T E -SU 55 67E 42 7,-3.0 7,-3.1 -2,-0.5 2,-0.4 -0.995 11.6-170.6-127.8 134.3 7.3 23.0 -37.6 61 445 A L E +SU 54 66E 2 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.2 -0.993 27.0 148.1-117.1 128.5 6.2 26.4 -36.5 62 446 A N E -S 53 0E 40 3,-2.6 3,-0.3 -2,-0.4 -9,-0.2 -0.761 63.4 -72.0-145.0-170.4 9.0 29.1 -36.5 63 447 A E S S+ 0 0 91 -11,-0.9 110,-0.5 1,-0.2 3,-0.1 0.604 129.9 48.4 -68.6 -11.9 9.7 32.8 -37.0 64 448 A T S S- 0 0 82 1,-0.3 12,-0.6 108,-0.1 2,-0.3 0.726 119.0 -98.4 -96.3 -30.5 9.0 32.3 -40.8 65 449 A G E - V 0 75E 0 -3,-0.3 -3,-2.6 10,-0.2 2,-0.5 -0.999 56.4 -24.6 151.8-152.8 5.7 30.4 -40.5 66 450 A L E -UV 61 74E 2 8,-2.1 8,-2.9 -2,-0.3 2,-0.4 -0.898 50.2-177.5-104.2 128.4 4.2 26.9 -40.5 67 451 A F E -UV 60 73E 48 -7,-3.1 -7,-3.0 -2,-0.5 2,-0.5 -0.989 9.2-169.6-128.8 130.2 5.9 24.1 -42.3 68 452 A I E > -U 59 0E 8 4,-2.2 3,-2.2 -2,-0.4 -9,-0.2 -0.983 33.9-113.2-119.7 125.9 4.7 20.6 -42.8 69 453 A A T 3 S+ 0 0 60 -11,-2.8 -11,-0.1 -2,-0.5 4,-0.0 -0.304 102.6 0.1 -57.6 130.7 7.1 18.0 -44.2 70 454 A N T 3 S+ 0 0 157 1,-0.2 -1,-0.3 234,-0.0 -12,-0.0 0.801 132.1 74.2 57.2 31.4 5.9 16.9 -47.6 71 455 A G S < S- 0 0 7 -3,-2.2 11,-0.3 1,-0.2 -1,-0.2 -0.710 88.0 -31.9-151.2-166.5 3.0 19.3 -47.1 72 456 A P - 0 0 0 0, 0.0 -4,-2.2 0, 0.0 2,-0.4 -0.136 40.8-158.1 -60.9 156.9 1.9 22.9 -47.0 73 457 A Q E -VW 67 80E 73 7,-2.5 7,-3.2 -6,-0.2 2,-0.5 -0.998 2.3-165.4-134.3 139.0 3.9 25.9 -45.9 74 458 A I E +VW 66 79E 2 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.2 -0.973 27.1 145.4-126.4 112.9 2.5 29.2 -44.7 75 459 A T E > -VW 65 78E 17 3,-2.3 3,-1.9 -2,-0.5 -10,-0.2 -0.788 65.2 -86.7-135.6 179.3 4.9 32.1 -44.6 76 460 A A T 3 S+ 0 0 53 -12,-0.6 3,-0.1 1,-0.3 -11,-0.1 0.731 125.9 61.3 -63.4 -21.8 4.9 35.9 -45.1 77 461 A S T 3 S- 0 0 92 1,-0.3 -1,-0.3 109,-0.1 2,-0.3 0.589 119.6-103.5 -80.3 -7.9 5.5 35.2 -48.8 78 462 A G E < -W 75 0E 6 -3,-1.9 -3,-2.3 121,-0.1 2,-0.5 -0.773 50.4 -30.3 127.0-168.8 2.2 33.4 -48.9 79 463 A I E -Wx 74 201E 4 121,-0.6 123,-2.2 117,-0.3 2,-0.6 -0.807 37.4-168.1 -94.4 125.4 0.6 29.9 -48.9 80 464 A N E -Wx 73 202E 46 -7,-3.2 -7,-2.5 -2,-0.5 123,-0.2 -0.980 12.7-154.0-106.7 116.6 2.3 27.0 -50.5 81 465 A A E > - 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