==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-NOV-08 3FAW . COMPND 2 MOLECULE: RETICULOCYTE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE COH1; . AUTHOR L.J.GOURLAY . 775 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 496 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 58 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 4 1 1 2 3 1 0 0 0 0 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 5 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 . 10 6 4 3 2 4 3 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 . 2 2 2 1 2 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 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 1 382 A Q 0 0 199 0, 0.0 2,-0.6 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 -0.2 37.2 27.2 -28.7 2 383 A V + 0 0 43 18,-0.1 2,-0.3 21,-0.1 20,-0.1 -0.653 360.0 160.9 -78.3 116.0 34.1 29.0 -30.0 3 384 A Q - 0 0 105 -2,-0.6 17,-2.1 18,-0.2 2,-0.2 -1.000 40.4-115.8-141.0 138.3 32.1 26.6 -32.2 4 385 A L E +A 19 0A 1 69,-0.4 15,-0.2 -2,-0.3 3,-0.1 -0.523 30.8 174.1 -72.5 133.0 28.5 26.6 -33.5 5 386 A K E - 0 0 118 13,-3.3 2,-0.3 1,-0.4 14,-0.2 0.821 55.9 -34.0-106.0 -53.1 26.5 23.6 -32.2 6 387 A D E -A 18 0A 47 12,-1.2 12,-2.1 72,-0.1 -1,-0.4 -0.926 49.8-143.4-160.1-179.9 22.9 24.1 -33.4 7 388 A A E -A 17 0A 2 72,-0.4 74,-1.7 -2,-0.3 2,-0.4 -0.985 4.9-165.0-158.8 147.6 20.2 26.7 -34.1 8 389 A Q E -Ab 16 81A 10 8,-2.6 8,-2.7 -2,-0.3 2,-0.6 -0.996 20.3-133.1-135.4 140.6 16.4 27.3 -33.8 9 390 A Q E +Ab 15 82A 1 72,-2.1 74,-1.9 -2,-0.4 6,-0.2 -0.862 24.9 175.3 -91.4 123.0 14.0 29.8 -35.4 10 391 A T E - 0 0 43 4,-1.6 2,-0.3 -2,-0.6 5,-0.1 0.614 62.4 -6.8-106.8 -21.7 11.8 31.2 -32.6 11 392 A D E > S-A 14 0A 57 3,-1.3 3,-1.1 51,-0.0 -1,-0.2 -0.931 87.0 -75.8-158.1-173.9 9.8 33.9 -34.5 12 393 A L T 3 S+ 0 0 81 -2,-0.3 50,-1.6 1,-0.3 3,-0.0 0.828 128.3 26.2 -59.7 -33.8 9.6 35.6 -37.9 13 394 A T T 3 S+ 0 0 78 48,-0.2 47,-1.2 46,-0.0 2,-0.3 0.033 111.0 75.8-121.1 25.5 12.7 37.8 -37.2 14 395 A S E < +AC 11 59A 14 -3,-1.1 -4,-1.6 45,-0.2 -3,-1.3 -0.983 42.0 178.1-148.6 132.4 14.8 35.8 -34.7 15 396 A I E -AC 9 58A 0 43,-2.5 43,-3.4 -2,-0.3 2,-0.5 -0.996 16.9-150.3-130.6 126.7 17.1 32.8 -34.6 16 397 A Q E -AC 8 57A 69 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.5 -0.865 12.7-165.2 -97.9 124.9 18.9 31.5 -31.5 17 398 A A E -AC 7 56A 0 39,-2.8 39,-3.0 -2,-0.5 2,-0.4 -0.945 10.2-143.3-112.4 125.0 22.3 29.8 -32.2 18 399 A S E -AC 6 55A 32 -12,-2.1 -13,-3.3 -2,-0.5 -12,-1.2 -0.710 19.6-172.0 -91.1 135.9 23.9 27.6 -29.5 19 400 A F E -A 4 0A 4 35,-2.9 -15,-0.2 -2,-0.4 3,-0.2 -0.792 38.2-118.2-119.6 162.1 27.7 27.6 -29.2 20 401 A T S S- 0 0 60 -17,-2.1 2,-0.3 1,-0.3 -18,-0.1 0.926 97.6 -24.7 -59.0 -46.8 30.2 25.7 -27.1 21 402 A T - 0 0 23 -18,-0.2 -1,-0.3 -20,-0.1 -18,-0.2 -0.968 41.4-154.1-163.0 154.7 31.1 29.0 -25.5 22 403 A L 0 0 24 29,-0.4 29,-0.1 -2,-0.3 30,-0.1 0.276 360.0 360.0-112.9 6.4 31.0 32.8 -26.1 23 404 A D 0 0 161 28,-0.2 -21,-0.1 -22,-0.1 -2,-0.1 0.392 360.0 360.0-103.0 360.0 33.9 33.7 -23.8 24 ! 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 25 408 A K > 0 0 118 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -41.1 30.3 41.3 -30.8 26 409 A T H > + 0 0 106 1,-0.2 4,-0.9 2,-0.2 3,-0.0 0.922 360.0 51.2 -64.6 -46.2 32.4 42.9 -33.6 27 410 A E H > S+ 0 0 154 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.670 111.5 47.7 -70.2 -18.5 34.7 39.9 -34.1 28 411 A I H > S+ 0 0 13 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.789 100.7 62.2 -92.7 -32.5 31.8 37.5 -34.5 29 412 A L H < S+ 0 0 75 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.556 101.4 60.8 -82.5 -3.9 29.7 39.6 -37.0 30 413 A K H < S+ 0 0 141 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.937 114.7 26.5 -39.0 -77.8 32.8 39.1 -39.0 31 414 A E H < S+ 0 0 84 -4,-0.8 43,-0.3 42,-0.0 2,-0.2 0.783 98.2 94.3 -80.7 -29.8 32.5 35.3 -39.1 32 415 A L < + 0 0 5 -4,-2.9 2,-0.3 41,-0.1 41,-0.2 -0.452 48.5 173.1 -72.0 128.8 28.8 34.6 -38.7 33 416 A K E -E 72 0B 136 39,-1.8 39,-2.4 -2,-0.2 2,-0.4 -0.997 16.0-158.7-137.4 143.7 26.8 34.2 -41.9 34 417 A V E +EF 71 42B 3 8,-0.6 8,-2.9 -2,-0.3 2,-0.3 -0.970 12.4 178.9-121.9 133.7 23.2 33.1 -42.6 35 418 A T E -EF 70 41B 29 35,-2.2 35,-2.8 -2,-0.4 6,-0.2 -0.917 21.3-122.5-131.3 160.8 21.7 31.7 -45.9 36 419 A D > - 0 0 17 4,-2.2 3,-2.0 -2,-0.3 31,-0.2 -0.166 47.3 -76.9 -90.7-173.8 18.3 30.5 -47.0 37 420 A K T 3 S+ 0 0 114 29,-2.4 30,-0.1 1,-0.3 32,-0.1 0.718 132.0 49.5 -59.1 -25.2 17.2 27.2 -48.5 38 421 A N T 3 S- 0 0 91 28,-0.2 -1,-0.3 2,-0.1 29,-0.1 0.067 121.1-105.0-102.8 22.0 18.7 28.1 -51.9 39 422 A Q S < S+ 0 0 169 -3,-2.0 2,-0.3 1,-0.2 -2,-0.1 0.575 72.2 146.7 69.5 13.2 22.1 29.1 -50.4 40 423 A N - 0 0 95 1,-0.1 -4,-2.2 -5,-0.0 -1,-0.2 -0.636 53.6-103.7 -86.3 139.1 21.4 32.8 -50.9 41 424 A A E -F 35 0B 90 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.300 29.6-154.8 -66.6 136.2 22.8 35.3 -48.3 42 425 A I E -F 34 0B 40 -8,-2.9 -8,-0.6 -2,-0.0 2,-0.3 -0.934 21.0-117.2-112.7 135.7 20.5 36.8 -45.7 43 426 A Q - 0 0 171 -2,-0.4 2,-0.7 18,-0.1 18,-0.5 -0.546 19.3-138.6 -75.7 127.6 21.3 40.2 -44.1 44 427 A I E -D 60 0A 32 -2,-0.3 16,-0.2 1,-0.2 3,-0.1 -0.791 13.6-168.7 -85.3 115.5 21.9 40.1 -40.3 45 428 A S E - 0 0 95 14,-2.1 2,-0.3 -2,-0.7 15,-0.2 0.902 64.9 -35.0 -71.1 -43.7 20.1 43.1 -38.8 46 429 A D E -D 59 0A 64 13,-1.0 13,-3.0 2,-0.0 2,-0.3 -0.967 53.8-138.4-166.8 165.9 21.8 42.7 -35.4 47 430 A I E -D 58 0A 0 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.971 5.5-156.9-133.3 154.7 23.0 40.1 -32.9 48 431 A T E -D 57 0A 66 9,-2.2 9,-2.7 -2,-0.3 2,-0.5 -1.000 14.5-140.6-130.9 131.0 22.9 39.8 -29.1 49 432 A L E -D 56 0A 61 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.819 11.6-170.7 -95.5 123.2 25.3 37.7 -27.0 50 433 A D E >> +D 55 0A 51 5,-2.5 5,-1.7 -2,-0.5 4,-0.8 -0.881 8.8 178.0-106.0 94.6 24.1 35.6 -24.0 51 434 A T T 45S+ 0 0 86 -2,-0.7 -29,-0.4 1,-0.2 -28,-0.2 0.761 75.5 59.3 -70.9 -26.5 27.4 34.5 -22.5 52 435 A S T 45S+ 0 0 111 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.933 118.3 28.5 -65.1 -48.9 25.7 32.7 -19.6 53 436 A K T 45S- 0 0 144 2,-0.2 -34,-0.2 -32,-0.0 -2,-0.2 0.449 103.9-128.7 -91.2 -3.1 23.8 30.3 -21.9 54 437 A S T <5 + 0 0 21 -4,-0.8 -35,-2.9 1,-0.2 2,-0.4 0.867 64.6 134.0 52.2 40.4 26.5 30.5 -24.7 55 438 A L E < -CD 18 50A 26 -5,-1.7 -5,-2.5 -37,-0.2 2,-0.5 -0.936 48.2-147.4-120.4 145.9 23.8 31.3 -27.2 56 439 A L E -CD 17 49A 0 -39,-3.0 -39,-2.8 -2,-0.4 2,-0.6 -0.953 9.5-147.2-112.9 121.0 23.7 34.0 -29.8 57 440 A I E -CD 16 48A 35 -9,-2.7 -9,-2.2 -2,-0.5 2,-0.5 -0.816 17.3-159.8 -91.1 119.9 20.4 35.7 -30.8 58 441 A I E -CD 15 47A 0 -43,-3.4 -43,-2.5 -2,-0.6 2,-0.3 -0.891 2.8-158.7-109.0 125.6 20.4 36.6 -34.5 59 442 A K E +CD 14 46A 85 -13,-3.0 -14,-2.1 -2,-0.5 -13,-1.0 -0.808 35.1 98.7-107.9 145.5 18.0 39.2 -35.9 60 443 A G E S- D 0 44A 5 -47,-1.2 2,-0.9 -2,-0.3 -16,-0.1 -0.961 77.8 -56.4 167.8-173.1 16.9 39.7 -39.5 61 444 A D + 0 0 124 -18,-0.5 2,-0.8 -2,-0.3 -48,-0.2 -0.819 52.6 175.9 -96.9 99.6 14.0 39.0 -41.9 62 445 A F - 0 0 0 -50,-1.6 -48,-0.2 -2,-0.9 5,-0.1 -0.679 11.4-165.2-110.9 77.9 13.7 35.2 -41.8 63 446 A N > - 0 0 66 -2,-0.8 3,-1.9 1,-0.2 4,-0.3 -0.465 14.6-146.2 -63.7 116.7 10.7 34.3 -44.0 64 447 A P G > S+ 0 0 23 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.722 96.6 66.3 -62.2 -19.6 9.8 30.7 -43.1 65 448 A K G 3 S+ 0 0 131 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.740 105.4 43.2 -69.8 -24.6 8.7 30.1 -46.7 66 449 A Q G < S+ 0 0 78 -3,-1.9 -29,-2.4 -29,-0.0 -28,-0.2 0.332 112.6 139.7 -96.2 2.2 12.4 30.6 -47.7 67 450 A G < + 0 0 17 -3,-0.8 2,-0.1 -4,-0.3 -31,-0.1 -0.249 20.7 76.2 -84.8 176.0 13.5 28.4 -44.7 68 451 A H S S- 0 0 85 12,-0.1 2,-0.2 -33,-0.1 13,-0.1 0.560 70.8-145.4 -77.3 159.6 15.0 26.5 -43.3 69 452 A F - 0 0 1 -2,-0.1 11,-2.7 -33,-0.1 2,-0.6 -0.614 3.8-135.0 -94.9 147.1 18.1 28.7 -42.8 70 453 A N E -EG 35 79B 35 -35,-2.8 -35,-2.2 -2,-0.2 2,-0.5 -0.913 16.7-162.9 -99.8 120.6 21.7 27.6 -42.8 71 454 A I E -EG 34 78B 0 7,-2.8 7,-2.6 -2,-0.6 2,-0.4 -0.890 13.2-172.0-101.3 132.5 23.8 29.2 -40.0 72 455 A S E +EG 33 77B 25 -39,-2.4 -39,-1.8 -2,-0.5 2,-0.3 -0.969 17.3 161.7-133.1 146.0 27.6 29.0 -40.5 73 456 A Y E > S- G 0 76B 27 3,-2.1 3,-1.8 -2,-0.4 -69,-0.4 -0.842 72.2 -22.5-162.4 115.0 30.7 29.8 -38.4 74 457 A N T 3 S- 0 0 104 1,-0.3 3,-0.1 -2,-0.3 -42,-0.1 0.793 127.2 -42.3 54.1 37.5 34.3 28.6 -38.9 75 458 A G T 3 S+ 0 0 67 1,-0.3 2,-0.5 -72,-0.0 -1,-0.3 0.082 112.1 112.7 98.2 -26.6 33.4 25.5 -40.9 76 459 A N E < -G 73 0B 67 -3,-1.8 -3,-2.1 2,-0.0 2,-0.4 -0.720 44.2-174.1 -76.6 127.5 30.4 24.3 -38.9 77 460 A N E +G 72 0B 99 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.997 4.4 179.0-122.4 125.4 27.2 24.6 -40.9 78 461 A V E -G 71 0B 23 -7,-2.6 -7,-2.8 -2,-0.4 2,-0.4 -0.964 23.3-131.3-127.2 145.5 23.9 23.8 -39.1 79 462 A T E -G 70 0B 93 -2,-0.4 -72,-0.4 -9,-0.2 -9,-0.2 -0.766 32.5-110.4 -94.4 138.1 20.3 23.9 -40.4 80 463 A T - 0 0 4 -11,-2.7 2,-0.4 -2,-0.4 -72,-0.2 -0.390 24.9-150.5 -71.0 141.9 17.7 25.8 -38.3 81 464 A R E -b 8 0A 50 -74,-1.7 -72,-2.1 -2,-0.1 2,-0.5 -0.882 20.7-118.3-106.6 142.1 15.0 23.8 -36.5 82 465 A Q E -b 9 0A 12 -2,-0.4 -72,-0.1 -74,-0.2 -74,-0.0 -0.721 28.1-129.1 -81.9 125.4 11.5 25.4 -35.9 83 466 A S > - 0 0 12 -74,-1.9 4,-2.6 -2,-0.5 5,-0.2 -0.343 21.8-114.2 -66.1 154.8 10.8 25.6 -32.1 84 467 A W H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 310,-0.2 0.864 118.7 54.6 -61.4 -35.4 7.4 24.2 -31.0 85 468 A E H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 111.7 44.2 -61.4 -41.9 6.2 27.8 -30.1 86 469 A F H > S+ 0 0 0 -77,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.851 109.9 55.6 -71.3 -37.0 7.1 28.9 -33.6 87 470 A K H X S+ 0 0 8 -4,-2.6 4,-3.0 2,-0.2 5,-0.4 0.872 109.6 47.3 -61.3 -39.0 5.5 25.8 -35.1 88 471 A D H X S+ 0 0 27 -4,-2.2 4,-1.8 3,-0.2 -2,-0.2 0.903 109.3 53.9 -65.9 -43.7 2.3 26.8 -33.3 89 472 A Q H < S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.913 122.2 29.4 -55.4 -43.7 2.7 30.4 -34.5 90 473 A L H < S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.851 136.5 19.7 -85.0 -39.4 2.9 29.2 -38.1 91 474 A Y H < S+ 0 0 36 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.483 72.3 136.0-121.7 -6.9 0.8 26.0 -38.1 92 475 A A < - 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