==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE,TOXIN 31-OCT-09 3KI6 . COMPND 2 MOLECULE: CHOLIX TOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR R.JORGENSEN,P.R.EDWARDS,A.R.MERRILL . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 19.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 1 423 A G 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.1 48.3 60.5 10.1 2 424 A S + 0 0 110 1,-0.2 2,-1.1 0, 0.0 0, 0.0 0.854 360.0 62.4 -69.3 -34.3 48.8 59.2 13.6 3 425 A H S S+ 0 0 122 16,-0.1 2,-0.3 12,-0.0 -1,-0.2 -0.794 77.5 132.1 -91.9 99.5 45.5 60.7 15.0 4 426 A M - 0 0 110 -2,-1.1 15,-0.0 10,-0.4 2,-0.0 -0.933 55.3-122.6-155.3 121.8 43.1 58.8 12.9 5 427 A A - 0 0 16 -2,-0.3 2,-0.5 162,-0.1 9,-0.2 -0.305 21.6-145.6 -60.1 146.4 39.9 56.9 13.8 6 428 A V E -A 13 0A 64 7,-2.4 7,-2.9 5,-0.0 2,-0.6 -0.980 7.2-147.3-118.1 118.8 39.8 53.3 12.8 7 429 A I E +A 12 0A 25 -2,-0.5 5,-0.2 5,-0.2 91,-0.0 -0.762 26.6 167.9 -87.7 123.8 36.4 52.0 11.7 8 430 A T E > -A 11 0A 36 3,-1.4 3,-2.1 -2,-0.6 88,-0.2 -0.800 52.7 -98.4-123.7 168.2 35.9 48.3 12.6 9 431 A P T 3 S+ 0 0 59 0, 0.0 87,-2.9 0, 0.0 33,-0.2 0.771 126.6 55.7 -60.6 -21.4 32.7 46.1 12.6 10 432 A Q T 3 S- 0 0 110 1,-0.4 2,-0.2 85,-0.3 87,-0.1 0.245 124.1-104.2 -95.2 15.9 32.5 46.8 16.4 11 433 A G E < -A 8 0A 4 -3,-2.1 -3,-1.4 85,-0.3 -1,-0.4 -0.472 65.9 -10.4 97.9-165.5 32.5 50.5 15.6 12 434 A V E +A 7 0A 46 85,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.407 57.9 175.6 -74.0 134.3 35.1 53.2 15.9 13 435 A T E +A 6 0A 56 -7,-2.9 -7,-2.4 1,-0.1 3,-0.0 -0.804 57.1 38.2-125.6 173.3 38.4 52.6 17.7 14 436 A N S S+ 0 0 111 -2,-0.3 -10,-0.4 -9,-0.2 2,-0.3 0.887 86.8 114.4 54.8 47.3 41.6 54.8 18.2 15 437 A W + 0 0 33 -3,-0.2 2,-0.2 -10,-0.1 -1,-0.1 -0.759 39.6 179.8-154.1 95.4 39.6 58.0 18.6 16 438 A T > - 0 0 71 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.536 43.1-110.7 -92.8 163.3 39.4 60.0 21.8 17 439 A Y H > S+ 0 0 54 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.893 120.2 58.2 -57.0 -39.0 37.5 63.2 22.4 18 440 A Q H > S+ 0 0 157 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.921 107.8 46.5 -59.4 -40.3 40.9 65.0 22.6 19 441 A E H > S+ 0 0 32 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 113.4 47.5 -67.1 -43.2 41.7 63.8 19.1 20 442 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.929 109.6 54.1 -62.4 -44.3 38.3 64.7 17.7 21 443 A E H X S+ 0 0 65 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.917 109.2 47.8 -58.5 -43.8 38.5 68.2 19.4 22 444 A A H X S+ 0 0 56 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.892 112.8 49.0 -64.7 -39.0 41.9 68.9 17.7 23 445 A T H X S+ 0 0 37 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.909 110.2 51.0 -63.3 -45.8 40.4 67.7 14.3 24 446 A H H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.909 109.6 50.3 -56.6 -45.8 37.3 69.9 14.8 25 447 A Q H X S+ 0 0 74 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.891 110.2 49.9 -63.5 -40.4 39.5 72.9 15.5 26 448 A A H X S+ 0 0 23 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.935 111.7 48.7 -62.3 -45.4 41.6 72.2 12.4 27 449 A L H <>S+ 0 0 13 -4,-2.8 5,-2.3 2,-0.2 -2,-0.2 0.920 110.3 51.6 -58.0 -43.8 38.4 72.0 10.3 28 450 A T H ><5S+ 0 0 63 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.931 107.7 51.7 -59.3 -46.1 37.2 75.2 11.8 29 451 A R H 3<5S+ 0 0 189 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.0 55.3 -56.3 -36.6 40.4 77.0 10.9 30 452 A E T 3<5S- 0 0 124 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.350 125.2-100.8 -83.0 0.3 40.0 75.7 7.3 31 453 A G T < 5S+ 0 0 7 -3,-1.8 75,-2.9 1,-0.3 2,-0.2 0.590 75.4 137.0 95.8 13.8 36.6 77.3 7.0 32 454 A Y E < -B 105 0B 69 -5,-2.3 2,-0.4 73,-0.2 -1,-0.3 -0.632 36.2-155.4 -92.5 154.1 34.3 74.2 7.6 33 455 A V E -B 104 0B 41 71,-2.6 71,-2.4 -2,-0.2 2,-0.2 -0.993 19.2-118.6-133.1 129.9 31.2 74.3 9.7 34 456 A F E +B 103 0B 9 -2,-0.4 69,-0.3 69,-0.2 3,-0.1 -0.472 33.0 171.0 -63.8 133.1 29.5 71.3 11.5 35 457 A V E - 0 0 0 67,-3.0 2,-0.3 1,-0.4 68,-0.2 0.505 52.1 -51.2-122.4 -10.7 26.0 70.8 10.3 36 458 A G E -B 102 0B 0 66,-1.1 66,-3.0 31,-0.1 -1,-0.4 -0.885 53.5 -75.0 159.6 169.1 24.9 67.5 11.9 37 459 A Y E -BC 101 66B 6 29,-3.0 29,-2.3 -2,-0.3 2,-0.5 -0.722 29.3-160.4 -90.1 143.2 25.4 63.9 12.7 38 460 A H E -B 100 0B 30 62,-2.6 62,-2.6 -2,-0.3 2,-0.4 -0.982 8.8-161.0-123.0 118.1 24.9 61.1 10.2 39 461 A G E +B 99 0B 7 -2,-0.5 2,-0.3 60,-0.2 60,-0.2 -0.802 26.8 135.9 -96.7 138.8 24.4 57.6 11.6 40 462 A T E -B 98 0B 20 58,-2.4 58,-2.7 -2,-0.4 133,-0.2 -0.904 51.9 -67.1-160.3-175.4 25.0 54.5 9.6 41 463 A N > - 0 0 48 -2,-0.3 4,-2.2 56,-0.2 5,-0.2 -0.377 51.2-103.6 -79.4 170.0 26.5 51.0 9.5 42 464 A H H > S+ 0 0 37 54,-0.2 4,-1.3 1,-0.2 5,-0.1 0.797 117.0 50.6 -70.8 -24.1 30.2 50.4 9.7 43 465 A V H > S+ 0 0 86 2,-0.2 4,-1.6 1,-0.2 3,-0.3 0.970 113.9 42.1 -76.0 -52.9 30.6 49.6 6.0 44 466 A A H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.856 110.0 60.9 -61.1 -34.1 28.8 52.7 4.6 45 467 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.904 103.0 48.8 -64.7 -40.3 30.6 54.8 7.3 46 468 A Q H X S+ 0 0 70 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.913 111.2 51.1 -63.9 -40.2 34.0 54.0 5.9 47 469 A T H X S+ 0 0 87 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.939 111.4 47.5 -60.7 -45.9 32.8 54.8 2.4 48 470 A I H < S+ 0 0 26 -4,-2.5 117,-0.3 1,-0.2 -2,-0.2 0.898 110.0 51.1 -66.6 -40.0 31.5 58.2 3.5 49 471 A V H < S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 116,-0.2 0.865 110.1 51.9 -64.9 -35.5 34.6 59.1 5.5 50 472 A N H < S- 0 0 118 -4,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.938 136.5 -29.6 -64.1 -47.2 36.7 58.3 2.3 51 473 A R < - 0 0 183 -4,-2.3 2,-0.5 -5,-0.1 -1,-0.3 -0.832 58.2-122.7-173.1 129.8 34.5 60.6 0.1 52 474 A I + 0 0 8 111,-0.4 -4,-0.1 -2,-0.3 111,-0.1 -0.706 48.0 152.9 -79.3 122.7 30.9 61.7 0.2 53 475 A A 0 0 38 -2,-0.5 -2,-0.1 0, 0.0 104,-0.0 -0.987 360.0 360.0-149.0 149.8 29.2 60.7 -3.1 54 476 A P 0 0 116 0, 0.0 9,-0.0 0, 0.0 7,-0.0 -0.363 360.0 360.0 -67.1 360.0 25.7 59.9 -4.2 55 ! 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 56 485 A N > 0 0 135 0, 0.0 4,-2.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -41.1 10.3 59.6 -3.7 57 486 A E T 4 + 0 0 185 2,-0.2 5,-0.1 1,-0.2 0, 0.0 0.855 360.0 42.5 -62.6 -36.5 13.8 58.3 -2.9 58 487 A E T >4 S+ 0 0 149 2,-0.2 3,-1.6 1,-0.1 -1,-0.2 0.937 114.3 50.3 -71.8 -48.9 15.1 60.3 -5.9 59 488 A K T 34 S+ 0 0 57 1,-0.3 77,-0.4 75,-0.1 -2,-0.2 0.895 120.7 34.9 -57.4 -42.7 12.9 63.4 -5.1 60 489 A W T 3< S+ 0 0 32 -4,-2.6 -1,-0.3 75,-0.1 -2,-0.2 0.121 91.7 141.3-100.9 20.1 14.1 63.4 -1.5 61 490 A G < + 0 0 14 -3,-1.6 75,-0.4 93,-0.1 2,-0.3 -0.325 22.9 88.4 -67.0 143.1 17.6 62.2 -2.3 62 491 A G S S- 0 0 12 94,-0.2 2,-0.6 -5,-0.1 94,-0.2 -0.909 81.4 -55.0 158.7-174.9 20.6 63.6 -0.5 63 492 A L E -E 155 0C 6 92,-2.5 92,-2.7 -2,-0.3 2,-0.4 -0.836 53.7-147.2 -93.5 119.8 22.8 63.2 2.5 64 493 A Y E +E 154 0C 74 -2,-0.6 2,-0.3 90,-0.2 90,-0.2 -0.737 24.8 164.7 -92.2 134.2 20.7 63.2 5.7 65 494 A V E -E 153 0C 6 88,-2.5 88,-2.7 -2,-0.4 2,-0.4 -0.930 20.0-151.6-139.8 163.3 22.0 64.6 9.0 66 495 A A B -C 37 0B 2 -29,-2.3 -29,-3.0 -2,-0.3 6,-0.1 -0.998 15.6-150.0-136.4 138.7 20.5 65.6 12.3 67 496 A T S S+ 0 0 23 -2,-0.4 2,-0.8 -31,-0.2 -1,-0.1 0.792 89.9 73.4 -74.3 -24.9 21.7 68.2 14.8 68 497 A H S >> S- 0 0 81 83,-0.3 3,-1.5 1,-0.2 4,-1.0 -0.802 79.8-149.2 -90.6 114.0 20.1 66.1 17.6 69 498 A A H 3> S+ 0 0 5 -2,-0.8 4,-2.5 1,-0.3 5,-0.2 0.823 90.2 64.4 -55.5 -37.2 22.5 63.2 18.0 70 499 A E H 3> S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.861 97.8 57.2 -60.6 -30.5 19.8 60.7 19.1 71 500 A V H <4 S+ 0 0 32 -3,-1.5 4,-0.4 1,-0.2 3,-0.3 0.953 111.0 41.5 -62.2 -50.1 18.1 61.1 15.7 72 501 A A H >< S+ 0 0 4 -4,-1.0 3,-1.7 1,-0.2 4,-0.4 0.875 107.9 62.1 -63.4 -35.3 21.2 60.0 13.9 73 502 A H H >< S+ 0 0 4 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.841 92.9 64.5 -64.5 -29.8 21.9 57.2 16.5 74 503 A G T 3< S+ 0 0 30 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.747 108.2 41.5 -62.0 -23.3 18.6 55.6 15.5 75 504 A Y T < S+ 0 0 158 -3,-1.7 2,-2.0 -4,-0.4 -1,-0.3 0.404 85.3 100.5-100.3 -1.0 20.1 55.0 12.1 76 505 A A S < S+ 0 0 0 -3,-1.3 97,-1.8 -4,-0.4 21,-0.9 -0.415 73.5 70.5 -90.8 64.0 23.6 53.9 13.2 77 506 A R S S- 0 0 46 -2,-2.0 2,-0.2 19,-0.1 -36,-0.2 -0.977 86.1 -97.6-166.5 155.0 23.0 50.2 12.8 78 507 A I - 0 0 37 -2,-0.3 3,-0.1 14,-0.2 19,-0.1 -0.626 36.3-175.4 -69.4 146.4 22.5 47.4 10.4 79 508 A K + 0 0 142 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.507 58.5 59.5-128.4 -7.7 18.7 46.7 10.0 80 509 A E S S- 0 0 129 7,-0.0 2,-0.2 12,-0.0 -1,-0.2 -0.994 72.9-139.8-125.1 125.0 18.2 43.6 7.8 81 510 A G - 0 0 13 5,-0.6 6,-0.1 -2,-0.5 -2,-0.0 -0.589 6.2-157.7 -76.3 144.2 19.7 40.3 8.9 82 511 A T + 0 0 106 -2,-0.2 -1,-0.1 4,-0.1 3,-0.1 0.299 59.1 104.6-108.4 10.9 21.2 38.5 5.9 83 512 A G S > S- 0 0 23 4,-2.4 3,-1.8 1,-0.2 6,-0.1 -0.097 89.7 -57.1 -77.9-178.0 21.0 35.1 7.5 84 513 A E G > S+ 0 0 140 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 -0.341 126.2 7.7 -67.0 144.4 18.4 32.5 6.6 85 514 A Y G 3 S- 0 0 211 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.663 133.5 -65.1 59.4 20.3 14.8 33.6 7.0 86 515 A G G < S+ 0 0 43 -3,-1.8 -5,-0.6 1,-0.3 -1,-0.3 0.644 92.7 148.8 79.4 15.3 16.1 37.1 7.7 87 516 A L < - 0 0 105 -3,-2.0 -4,-2.4 -7,-0.1 -1,-0.3 -0.550 52.7-110.8 -71.7 145.8 17.9 36.2 10.9 88 517 A P - 0 0 23 0, 0.0 -7,-0.1 0, 0.0 -4,-0.1 -0.555 29.7-119.1 -72.2 150.7 20.9 38.3 11.5 89 518 A T > - 0 0 49 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.335 30.5-103.5 -75.9 167.3 24.2 36.5 11.3 90 519 A R H > S+ 0 0 166 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 125.7 52.2 -57.0 -42.4 26.5 36.4 14.4 91 520 A A H > S+ 0 0 69 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.867 108.2 52.4 -62.0 -38.3 28.7 39.1 12.8 92 521 A E H 4 S+ 0 0 24 1,-0.2 83,-0.5 2,-0.2 -1,-0.2 0.878 110.0 47.0 -66.4 -38.2 25.5 41.2 12.3 93 522 A R H < S+ 0 0 118 -4,-2.3 83,-0.3 1,-0.2 -2,-0.2 0.865 115.0 46.7 -67.6 -37.9 24.5 40.9 15.9 94 523 A D H < S+ 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.631 93.1 100.8 -80.9 -14.9 27.9 41.8 17.1 95 524 A A < - 0 0 4 -4,-1.1 80,-0.4 -5,-0.2 2,-0.4 -0.213 55.7-154.9 -66.9 161.3 28.4 44.7 14.8 96 525 A R - 0 0 86 -87,-2.9 -85,-0.3 -88,-0.2 78,-0.2 -0.991 14.2-127.3-132.8 145.3 28.0 48.3 15.9 97 526 A G - 0 0 2 76,-2.6 75,-0.7 -21,-0.9 2,-0.4 -0.093 23.4-115.1 -78.9-174.2 27.1 51.3 13.7 98 527 A V E -BD 40 171B 1 -58,-2.7 -58,-2.4 -87,-0.1 2,-0.6 -0.978 7.4-144.7-131.2 136.1 29.0 54.5 13.4 99 528 A M E -B 39 0B 2 71,-0.5 69,-2.9 -2,-0.4 2,-0.3 -0.904 25.1-166.4 -94.2 123.3 28.1 58.1 14.3 100 529 A L E -BD 38 167B 0 -62,-2.6 -62,-2.6 -2,-0.6 2,-0.5 -0.839 15.7-139.8-110.0 150.9 29.6 60.6 11.8 101 530 A R E -BD 37 166B 0 65,-3.3 65,-2.1 -2,-0.3 2,-0.5 -0.943 19.4-151.9-107.2 126.6 30.0 64.3 12.0 102 531 A V E -BD 36 165B 0 -66,-3.0 -67,-3.0 -2,-0.5 -66,-1.1 -0.869 12.2-173.8-107.1 135.6 29.3 66.2 8.7 103 532 A Y E -BD 34 164B 0 61,-2.8 61,-2.4 -2,-0.5 -69,-0.2 -0.954 4.3-163.5-124.0 141.5 31.0 69.6 7.9 104 533 A I E -B 33 0B 0 -71,-2.4 -71,-2.6 -2,-0.4 59,-0.1 -0.873 36.0 -93.0-119.6 154.5 30.4 71.9 5.0 105 534 A P E > -B 32 0B 37 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.455 41.3-118.2 -59.7 139.8 32.4 74.8 3.7 106 535 A R G > S+ 0 0 169 -75,-2.9 3,-1.9 1,-0.3 4,-0.3 0.809 111.1 65.2 -52.8 -33.5 31.1 78.0 5.3 107 536 A A G > S+ 0 0 71 1,-0.3 3,-1.6 -76,-0.2 -1,-0.3 0.812 90.2 66.7 -62.4 -26.2 30.2 79.4 1.9 108 537 A S G X S+ 0 0 9 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.683 79.1 80.4 -68.5 -15.1 27.5 76.7 1.5 109 538 A L G X S+ 0 0 26 -3,-1.9 3,-1.6 -4,-0.4 -1,-0.3 0.747 75.6 75.5 -63.3 -20.7 25.6 78.2 4.5 110 539 A E G < S+ 0 0 135 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.756 104.3 35.4 -61.2 -23.1 24.2 80.7 2.0 111 540 A R G < S+ 0 0 72 -3,-1.8 29,-2.3 -4,-0.2 2,-0.7 -0.168 87.1 115.4-123.2 37.6 21.9 77.9 0.6 112 541 A F E < -f 140 0C 0 -3,-1.6 86,-2.8 27,-0.2 29,-0.2 -0.861 48.8-176.4-113.7 93.2 21.2 76.1 4.0 113 542 A Y E -fg 141 198C 46 27,-2.6 29,-1.9 -2,-0.7 2,-0.3 -0.505 15.3-164.8 -98.2 159.1 17.5 76.6 4.5 114 543 A R E -f 142 0C 37 84,-2.1 2,-0.3 27,-0.2 29,-0.2 -0.994 3.5-173.7-142.3 145.6 15.1 75.7 7.3 115 544 A T - 0 0 10 27,-2.4 4,-0.1 -2,-0.3 7,-0.0 -0.946 27.0-141.5-126.8 152.9 11.3 75.5 7.6 116 545 A N S S+ 0 0 115 -2,-0.3 27,-0.1 27,-0.2 3,-0.0 0.523 79.2 99.2 -83.3 -10.6 9.0 74.8 10.5 117 546 A T S S- 0 0 58 1,-0.1 -2,-0.2 5,-0.1 5,-0.1 -0.617 94.4-100.4 -75.6 132.0 6.7 72.7 8.3 118 547 A P > - 0 0 25 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.307 36.5-122.2 -51.2 135.5 7.4 69.0 8.7 119 548 A L G > S+ 0 0 1 25,-2.4 3,-2.0 1,-0.3 4,-0.2 0.845 107.2 61.1 -60.7 -36.2 9.6 68.2 5.7 120 549 A E G 3 S+ 0 0 140 24,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.702 112.9 40.6 -55.9 -25.6 7.3 65.5 4.2 121 550 A N G < S+ 0 0 116 -3,-2.1 -1,-0.3 1,-0.1 3,-0.2 0.268 100.1 76.4-106.1 6.3 4.7 68.2 3.9 122 551 A A <> + 0 0 1 -3,-2.0 4,-3.1 -4,-0.3 5,-0.3 0.246 51.2 113.2-108.8 16.9 6.9 71.0 2.7 123 552 A E H > S+ 0 0 78 1,-0.2 4,-2.7 -3,-0.2 5,-0.2 0.883 80.0 50.4 -59.4 -39.9 7.6 70.2 -0.9 124 553 A E H > S+ 0 0 162 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 114.5 44.1 -61.7 -46.3 5.6 73.2 -2.2 125 554 A H H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.929 113.6 50.4 -62.2 -48.5 7.5 75.6 0.1 126 555 A I H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.921 110.9 47.8 -59.0 -47.5 10.9 74.0 -0.6 127 556 A T H X>S+ 0 0 36 -4,-2.7 4,-1.7 -5,-0.3 5,-0.7 0.883 111.7 51.5 -64.7 -33.6 10.4 74.2 -4.4 128 557 A Q H <5S+ 0 0 159 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.931 112.9 46.0 -65.5 -41.7 9.3 77.9 -4.1 129 558 A V H <5S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 118.9 38.2 -70.5 -43.6 12.4 78.7 -2.0 130 559 A I H <5S- 0 0 21 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.635 103.5-127.5 -84.7 -16.1 15.0 76.9 -4.2 131 560 A G T <5S+ 0 0 68 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.660 77.7 59.6 80.7 18.4 13.3 77.9 -7.5 132 561 A H S S- 0 0 46 4,-0.3 3,-2.8 -27,-0.1 -1,-0.2 -0.927 102.4 -67.1-154.6 167.9 7.3 64.9 11.7 147 576 A A T 3 S+ 0 0 86 1,-0.3 3,-0.1 -2,-0.3 -30,-0.1 -0.446 128.1 11.3 -63.4 132.2 5.0 67.3 13.5 148 577 A G T 3 S+ 0 0 94 1,-0.3 -1,-0.3 -2,-0.2 2,-0.1 0.436 110.1 123.9 77.9 0.0 6.4 67.7 17.0 149 578 A G < - 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