==== 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 3KI3 . 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) . 10864.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 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 . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.1 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 1 426 A M 0 0 128 0, 0.0 11,-0.2 0, 0.0 10,-0.2 0.000 360.0 360.0 360.0 153.4 23.8 6.3 -21.6 2 427 A A - 0 0 20 9,-2.3 2,-0.6 8,-0.3 9,-0.2 0.887 360.0-174.2 54.5 47.7 20.2 7.0 -20.6 3 428 A V E -A 10 0A 65 7,-2.0 7,-2.5 1,-0.0 2,-0.5 -0.634 16.2-142.4 -76.6 115.7 20.8 10.6 -19.6 4 429 A I E +A 9 0A 23 -2,-0.6 5,-0.2 5,-0.2 -1,-0.0 -0.697 29.2 168.6 -82.7 121.1 17.5 12.0 -18.1 5 430 A T E > -A 8 0A 41 3,-1.9 3,-0.7 -2,-0.5 86,-0.2 -0.744 51.2-102.0-118.8 171.3 16.9 15.6 -19.1 6 431 A P T 3 S+ 0 0 69 0, 0.0 85,-2.7 0, 0.0 33,-0.2 0.740 121.1 39.2 -63.1 -20.6 13.8 17.7 -18.7 7 432 A Q T 3 S- 0 0 119 1,-0.3 2,-0.1 83,-0.3 85,-0.1 -0.475 126.7 -30.3-132.1 57.5 13.0 17.1 -22.5 8 433 A G E < -A 5 0A 28 -3,-0.7 -3,-1.9 83,-0.4 2,-0.6 -0.248 63.1 -90.1 120.6 158.1 13.9 13.5 -23.2 9 434 A V E -A 4 0A 41 -5,-0.2 3,-0.3 -2,-0.1 -5,-0.2 -0.938 50.5-160.1-101.1 116.8 16.2 10.7 -22.3 10 435 A T E +A 3 0A 62 -7,-2.5 -7,-2.0 -2,-0.6 -8,-0.3 -0.502 60.8 29.2-100.5 166.6 19.2 10.9 -24.5 11 436 A N S S+ 0 0 111 -9,-0.2 -9,-2.3 -10,-0.2 2,-0.2 0.937 89.8 118.1 54.2 52.1 21.9 8.5 -25.5 12 437 A W + 0 0 28 -3,-0.3 2,-0.2 -11,-0.2 -1,-0.1 -0.659 35.3 171.7-155.5 88.2 19.5 5.6 -25.1 13 438 A T > - 0 0 59 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.502 47.8-106.6 -91.3 166.2 18.6 3.4 -28.1 14 439 A Y H > S+ 0 0 26 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.902 121.4 55.5 -57.8 -40.9 16.6 0.2 -28.0 15 440 A Q H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.903 108.6 47.5 -61.7 -39.1 19.8 -1.8 -28.6 16 441 A E H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.912 113.1 48.4 -65.5 -43.8 21.4 -0.2 -25.6 17 442 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.923 108.4 54.5 -59.1 -47.3 18.3 -0.9 -23.5 18 443 A E H X S+ 0 0 66 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.921 108.1 47.7 -59.2 -43.6 18.1 -4.5 -24.7 19 444 A A H X S+ 0 0 56 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.852 112.5 50.3 -65.0 -34.5 21.7 -5.2 -23.6 20 445 A T H X S+ 0 0 36 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.904 110.2 50.1 -67.1 -42.5 21.0 -3.6 -20.2 21 446 A H H X S+ 0 0 24 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.924 109.9 50.4 -59.4 -46.7 17.8 -5.7 -19.8 22 447 A Q H X S+ 0 0 111 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.893 109.3 51.7 -59.8 -40.1 19.8 -8.9 -20.6 23 448 A A H X S+ 0 0 37 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.924 106.5 53.6 -63.9 -42.1 22.4 -7.8 -18.0 24 449 A L H <>S+ 0 0 10 -4,-2.4 5,-2.7 1,-0.2 4,-0.3 0.903 107.7 51.4 -57.2 -41.8 19.5 -7.4 -15.5 25 450 A T H ><5S+ 0 0 70 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.943 110.4 47.5 -59.0 -47.2 18.4 -11.0 -16.2 26 451 A R H 3<5S+ 0 0 231 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.6 56.4 -63.9 -29.9 21.9 -12.3 -15.7 27 452 A E T 3<5S- 0 0 122 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.456 124.7-102.9 -79.7 -4.7 22.1 -10.2 -12.4 28 453 A G T < 5S+ 0 0 29 -3,-1.5 73,-2.7 -4,-0.3 2,-0.3 0.714 76.8 132.3 90.8 23.4 18.9 -12.0 -11.2 29 454 A Y E < -B 100 0B 58 -5,-2.7 2,-0.4 71,-0.2 -1,-0.3 -0.787 38.4-156.6-107.4 153.0 16.3 -9.3 -11.8 30 455 A V E -B 99 0B 19 69,-2.5 69,-2.4 -2,-0.3 2,-0.2 -0.993 22.5-115.9-130.7 132.3 12.9 -9.7 -13.4 31 456 A F E +B 98 0B 9 -2,-0.4 67,-0.3 67,-0.2 3,-0.1 -0.459 33.3 171.2 -66.6 133.2 10.8 -7.0 -15.1 32 457 A V E - 0 0 0 65,-2.9 2,-0.3 1,-0.4 66,-0.2 0.551 52.7 -54.9-120.3 -13.2 7.5 -6.3 -13.4 33 458 A G E -B 97 0B 0 64,-1.1 64,-2.8 29,-0.1 -1,-0.4 -0.888 53.9 -71.2 158.6 171.9 6.1 -3.2 -15.1 34 459 A Y E -BC 96 61B 6 27,-3.0 27,-2.0 -2,-0.3 2,-0.4 -0.683 30.3-161.5 -90.7 145.1 6.4 0.4 -16.2 35 460 A H E -B 95 0B 30 60,-2.4 60,-2.9 -2,-0.3 2,-0.4 -0.983 7.9-158.7-126.5 119.0 6.4 3.4 -13.9 36 461 A G E +B 94 0B 7 -2,-0.4 2,-0.3 58,-0.2 58,-0.2 -0.801 27.2 140.5 -96.4 138.9 5.6 6.8 -15.4 37 462 A T E -B 93 0B 13 56,-2.1 56,-2.9 -2,-0.4 131,-0.2 -0.923 51.5 -70.4-158.0-179.7 6.6 9.9 -13.6 38 463 A N > - 0 0 43 34,-0.3 4,-2.2 -2,-0.3 5,-0.2 -0.358 52.2-104.2 -75.7 164.7 8.1 13.5 -14.0 39 464 A H H > S+ 0 0 39 52,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.758 117.1 50.6 -66.2 -25.3 11.7 13.9 -15.0 40 465 A V H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.962 113.5 42.8 -76.8 -53.3 12.9 14.9 -11.5 41 466 A A H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.855 109.3 61.4 -59.2 -34.4 11.3 12.0 -9.6 42 467 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.919 103.6 47.8 -61.5 -43.6 12.5 9.7 -12.4 43 468 A Q H X S+ 0 0 72 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.910 110.3 52.4 -62.9 -41.6 16.1 10.5 -11.7 44 469 A T H X S+ 0 0 85 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.931 110.9 47.2 -58.7 -45.2 15.6 10.0 -8.0 45 470 A I H < S+ 0 0 27 -4,-2.4 115,-0.3 1,-0.2 -2,-0.2 0.908 110.4 51.5 -66.0 -42.2 14.1 6.5 -8.6 46 471 A V H < S+ 0 0 48 -4,-2.5 114,-0.2 -5,-0.2 -1,-0.2 0.894 110.2 50.7 -61.8 -38.5 16.9 5.5 -11.0 47 472 A N H < S- 0 0 112 -4,-2.3 2,-0.2 1,-0.2 -2,-0.2 0.965 136.7 -34.4 -62.2 -52.1 19.4 6.5 -8.4 48 473 A R < - 0 0 185 -4,-2.5 2,-0.5 -5,-0.1 -1,-0.2 -0.819 56.0-120.3-172.6 132.9 17.7 4.4 -5.7 49 474 A I + 0 0 8 109,-0.5 -4,-0.1 -2,-0.2 109,-0.1 -0.661 44.2 158.8 -78.9 125.1 14.1 3.5 -4.8 50 475 A A 0 0 62 -2,-0.5 -2,-0.1 0, 0.0 102,-0.0 -0.986 360.0 360.0-147.9 147.9 13.1 4.7 -1.4 51 476 A P 0 0 117 0, 0.0 7,-0.0 0, 0.0 5,-0.0 -0.244 360.0 360.0 -56.6 360.0 9.8 5.4 0.3 52 ! 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 53 487 A E > 0 0 200 0, 0.0 3,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.6 -1.3 5.1 4.3 54 488 A K T 3 + 0 0 97 1,-0.3 77,-0.4 75,-0.1 0, 0.0 0.781 360.0 45.5 -57.9 -33.4 -2.8 1.7 3.6 55 489 A W T 3 S+ 0 0 73 75,-0.1 -1,-0.3 74,-0.1 2,-0.0 0.190 82.3 134.2-102.8 14.5 -2.2 2.0 -0.1 56 490 A G < + 0 0 26 -3,-1.7 75,-0.4 93,-0.1 2,-0.3 -0.327 29.1 90.5 -63.9 144.8 1.4 3.2 0.0 57 491 A G S S- 0 0 13 94,-0.2 2,-0.6 73,-0.1 94,-0.2 -0.924 80.2 -59.6 157.7-175.4 4.0 1.6 -2.3 58 492 A L E -E 150 0C 7 92,-2.6 92,-2.7 -2,-0.3 2,-0.4 -0.880 51.9-146.9 -98.0 120.0 5.6 1.9 -5.7 59 493 A Y E +E 149 0C 82 -2,-0.6 2,-0.3 90,-0.2 90,-0.2 -0.748 24.9 164.0 -95.3 132.6 3.0 1.6 -8.5 60 494 A V E -E 148 0C 6 88,-2.5 88,-2.8 -2,-0.4 2,-0.3 -0.899 19.1-151.0-135.5 169.3 3.7 0.0 -11.8 61 495 A A B -C 34 0B 2 -27,-2.0 -27,-3.0 -2,-0.3 86,-0.1 -0.999 16.7-149.9-144.7 140.6 1.7 -1.4 -14.8 62 496 A T S S+ 0 0 27 -2,-0.3 2,-0.8 -29,-0.2 -1,-0.1 0.737 89.7 73.7 -78.8 -23.2 2.3 -4.1 -17.3 63 497 A H S >> S- 0 0 87 83,-0.4 3,-1.6 1,-0.2 4,-1.0 -0.845 80.9-147.7 -92.2 112.8 0.2 -2.2 -19.9 64 498 A A H 3> S+ 0 0 4 -2,-0.8 4,-2.6 1,-0.3 5,-0.2 0.816 91.2 63.9 -55.3 -37.9 2.5 0.7 -20.9 65 499 A E H 3> S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.838 97.1 57.6 -54.9 -37.2 -0.4 3.1 -21.6 66 500 A V H <4 S+ 0 0 17 -3,-1.6 4,-0.4 1,-0.2 3,-0.3 0.957 111.6 41.1 -60.4 -48.3 -1.4 3.0 -17.9 67 501 A A H >< S+ 0 0 4 -4,-1.0 3,-1.8 1,-0.2 4,-0.4 0.882 108.5 61.1 -64.8 -39.3 2.1 4.1 -16.8 68 502 A H H >< S+ 0 0 4 -4,-2.6 3,-1.2 1,-0.3 100,-0.2 0.837 92.3 66.2 -60.2 -30.9 2.3 6.7 -19.7 69 503 A G T 3< S+ 0 0 21 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.740 109.1 39.4 -59.0 -23.5 -0.8 8.5 -18.2 70 504 A Y T < S+ 0 0 126 -3,-1.8 2,-2.2 -4,-0.4 -1,-0.3 0.396 84.4 104.5-104.3 -1.8 1.4 9.3 -15.2 71 505 A A S < S+ 0 0 0 -3,-1.2 97,-1.6 -4,-0.4 21,-1.0 -0.394 72.0 71.1 -84.8 64.7 4.6 10.1 -17.1 72 506 A R S S- 0 0 39 -2,-2.2 -34,-0.3 19,-0.2 2,-0.3 -0.987 91.5 -85.7-167.5 154.1 4.3 13.9 -16.7 73 507 A I - 0 0 28 -2,-0.3 19,-0.1 14,-0.2 3,-0.1 -0.575 39.2-164.4 -62.3 135.6 4.5 16.9 -14.5 74 508 A K + 0 0 92 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.511 62.6 37.4-110.7 -10.5 1.0 17.1 -13.0 75 509 A E S S- 0 0 158 7,-0.0 2,-0.2 12,-0.0 -1,-0.2 -0.997 71.0-131.5-145.7 140.1 0.8 20.6 -11.6 76 510 A G - 0 0 13 5,-0.8 6,-0.1 -2,-0.3 -2,-0.0 -0.604 4.9-157.2 -86.5 152.9 2.2 24.0 -12.7 77 511 A T + 0 0 109 -2,-0.2 5,-0.1 5,-0.1 3,-0.1 0.345 62.4 96.4-111.2 3.4 4.1 26.2 -10.3 78 512 A G S > S- 0 0 26 4,-2.5 3,-1.7 1,-0.2 6,-0.1 0.008 91.6 -41.9 -79.7-168.7 3.5 29.5 -12.1 79 513 A E G > S- 0 0 152 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 -0.312 128.9 -0.7 -59.5 133.7 0.8 32.1 -11.4 80 514 A Y G 3 S- 0 0 221 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.762 133.1 -59.7 58.7 27.3 -2.7 30.6 -10.6 81 515 A G G < S+ 0 0 37 -3,-1.7 -5,-0.8 1,-0.3 -1,-0.3 0.520 94.6 151.5 79.7 6.6 -1.2 27.1 -11.1 82 516 A L < - 0 0 107 -3,-2.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.414 50.2-109.6 -66.7 144.8 -0.2 27.8 -14.7 83 517 A P - 0 0 17 0, 0.0 -7,-0.1 0, 0.0 -1,-0.1 -0.507 27.5-125.6 -71.8 141.0 2.8 25.8 -16.0 84 518 A T > - 0 0 54 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.311 35.8 -97.9 -68.1 170.3 6.0 27.7 -16.5 85 519 A R H > S+ 0 0 173 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 128.1 52.8 -59.6 -42.9 7.5 27.4 -20.0 86 520 A A H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.901 110.8 47.8 -58.5 -40.6 9.9 24.7 -18.7 87 521 A E H 4 S+ 0 0 30 1,-0.2 83,-0.5 2,-0.2 -1,-0.2 0.869 113.1 47.8 -68.6 -37.8 6.9 22.8 -17.2 88 522 A R H < S+ 0 0 125 -4,-2.6 83,-0.4 1,-0.2 -2,-0.2 0.904 117.3 40.9 -65.2 -43.3 4.9 23.1 -20.5 89 523 A D H < S+ 0 0 56 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.594 95.0 103.0 -89.5 -11.3 7.8 21.9 -22.7 90 524 A A < - 0 0 4 -4,-1.2 2,-0.4 -5,-0.2 80,-0.3 -0.154 58.3-145.3 -63.6 162.4 9.1 19.2 -20.4 91 525 A R - 0 0 91 -85,-2.7 -83,-0.4 -86,-0.2 78,-0.2 -0.986 11.9-132.6-125.6 141.7 8.5 15.5 -20.9 92 526 A G - 0 0 4 76,-2.5 75,-0.5 -21,-1.0 2,-0.4 -0.113 27.4-110.8 -75.1-172.8 8.0 12.9 -18.2 93 527 A V E -BD 37 166B 4 -56,-2.9 -56,-2.1 -23,-0.1 2,-0.6 -0.981 8.5-144.1-132.1 134.8 9.8 9.6 -18.1 94 528 A M E -B 36 0B 3 71,-0.6 69,-3.0 -2,-0.4 2,-0.3 -0.885 27.7-167.2 -93.1 118.0 8.7 6.0 -18.6 95 529 A L E -BD 35 162B 0 -60,-2.9 -60,-2.4 -2,-0.6 2,-0.5 -0.780 17.0-136.9-104.4 154.5 10.8 3.8 -16.3 96 530 A R E -BD 34 161B 0 65,-3.3 65,-1.9 -2,-0.3 2,-0.4 -0.950 21.0-152.8-108.1 126.2 11.1 -0.0 -16.3 97 531 A V E -BD 33 160B 0 -64,-2.8 -65,-2.9 -2,-0.5 -64,-1.1 -0.864 12.5-174.7-109.5 136.5 11.0 -1.6 -12.8 98 532 A Y E -BD 31 159B 0 61,-2.8 61,-2.3 -2,-0.4 -67,-0.2 -0.956 6.3-161.5-129.8 143.7 12.7 -4.9 -11.9 99 533 A I E -B 30 0B 0 -69,-2.4 -69,-2.5 -2,-0.3 59,-0.1 -0.854 37.2 -89.3-119.8 158.2 12.7 -7.0 -8.7 100 534 A P E > -B 29 0B 37 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.415 42.6-117.9 -62.2 143.1 15.0 -9.8 -7.5 101 535 A R G > S+ 0 0 135 -73,-2.7 3,-1.8 1,-0.3 4,-0.2 0.852 111.6 58.6 -55.2 -39.3 13.8 -13.1 -8.8 102 536 A A G > S+ 0 0 80 1,-0.3 3,-1.7 -74,-0.2 -1,-0.3 0.776 91.8 71.0 -64.2 -22.7 13.2 -14.6 -5.3 103 537 A S G X S+ 0 0 10 -3,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.673 76.4 81.4 -67.6 -16.3 10.8 -11.7 -4.6 104 538 A L G X S+ 0 0 18 -3,-1.8 3,-1.5 -4,-0.4 -1,-0.3 0.747 75.3 74.5 -59.4 -21.2 8.3 -13.3 -7.1 105 539 A E G < S+ 0 0 135 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.814 104.4 36.2 -58.4 -31.3 7.3 -15.6 -4.2 106 540 A R G < S+ 0 0 65 -3,-1.7 29,-2.3 -4,-0.2 2,-0.7 -0.134 88.4 112.3-115.4 36.4 5.4 -12.7 -2.6 107 541 A F E < -f 135 0C 0 -3,-1.5 86,-2.5 27,-0.2 29,-0.2 -0.867 51.0-176.1-118.1 92.9 4.2 -11.1 -5.9 108 542 A Y E -fg 136 193C 47 27,-2.6 29,-1.9 -2,-0.7 2,-0.3 -0.484 17.0-165.4 -99.3 158.9 0.4 -11.7 -5.8 109 543 A R E -f 137 0C 44 84,-2.3 2,-0.3 27,-0.2 29,-0.2 -0.998 3.1-174.7-140.5 146.3 -2.5 -11.0 -8.2 110 544 A T - 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0 0 7 -3,-1.7 -109,-0.5 -4,-0.3 2,-0.3 -0.437 62.0-150.7 -85.0 165.4 13.8 -3.2 -6.8 159 593 A V E -D 98 0B 46 -61,-2.3 -61,-2.8 -2,-0.1 2,-0.4 -0.946 4.6-153.8-135.3 156.1 15.8 -1.3 -9.5 160 594 A A E +D 97 0B 7 -115,-0.3 -63,-0.2 -2,-0.3 -65,-0.0 -0.990 12.1 176.5-135.0 143.6 14.7 1.0 -12.3 161 595 A I E -D 96 0B 27 -65,-1.9 -65,-3.3 -2,-0.4 2,-0.1 -0.945 40.6 -89.7-135.3 155.4 16.1 2.0 -15.7 162 596 A P E -D 95 0B 6 0, 0.0 -67,-0.3 0, 0.0 2,-0.1 -0.386 32.5-137.7 -66.0 145.8 14.5 4.2 -18.4 163 597 A S E - 0 0 5 -69,-3.0 -69,-0.1 2,-0.2 -154,-0.1 -0.345 17.9-125.1 -76.1 170.7 12.4 2.8 -21.2 164 598 A T E S+ 0 0 35 15,-0.2 -150,-0.1 -2,-0.1 16,-0.1 0.414 81.0 109.2 -93.9 -3.0 12.8 4.0 -24.8 165 599 A I E S- 0 0 5 14,-0.1 -71,-0.6 -71,-0.1 -2,-0.2 -0.622 79.2-116.2 -71.1 120.5 9.0 4.8 -24.8 166 600 A P E -D 93 0B 66 0, 0.0 10,-0.3 0, 0.0 -73,-0.1 -0.217 31.2-110.1 -58.0 149.5 8.9 8.7 -24.8 167 601 A G - 0 0 10 -75,-0.5 -95,-0.1 1,-0.1 -74,-0.1 -0.183 23.4-115.6 -73.1 168.2 7.3 10.4 -21.9 168 602 A N - 0 0 0 -97,-1.6 -76,-2.5 -100,-0.2 2,-0.3 -0.083 29.7-133.7 -85.6-168.7 4.0 12.3 -21.6 169 603 A A - 0 0 3 -78,-0.2 -78,-0.1 -97,-0.1 4,-0.1 -0.939 29.2 -94.7-146.9 168.3 3.6 16.0 -20.9 170 604 A Y S S+ 0 0 75 -83,-0.5 2,-0.7 -80,-0.3 -82,-0.1 0.920 127.0 44.5 -53.8 -48.4 1.7 18.4 -18.7 171 605 A E S S- 0 0 164 -83,-0.4 -1,-0.2 -3,-0.1 0, 0.0 -0.911 117.4-111.0 -93.5 115.2 -0.7 18.9 -21.7 172 606 A E - 0 0 113 -2,-0.7 2,-0.3 -4,-0.1 -2,-0.1 -0.059 34.1-166.1 -67.2 151.8 -1.0 15.2 -22.6 173 607 A L - 0 0 71 -4,-0.1 2,-0.2 0, 0.0 -4,-0.1 -0.862 30.9 -94.3-126.2 157.2 0.4 13.6 -25.8 174 608 A A - 0 0 97 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.489 44.1-105.9 -75.5 141.3 -0.4 10.2 -27.4 175 609 A I - 0 0 15 -2,-0.2 2,-1.1 1,-0.1 -1,-0.1 -0.288 31.8-112.7 -61.3 146.9 1.9 7.2 -26.5 176 610 A D > - 0 0 70 -10,-0.3 4,-1.8 1,-0.2 3,-0.4 -0.756 30.0-170.0 -84.6 101.3 4.3 6.1 -29.2 177 611 A E H > S+ 0 0 126 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.767 81.7 62.4 -68.0 -26.3 3.0 2.7 -30.2 178 612 A E H > S+ 0 0 155 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.912 106.1 45.6 -63.1 -42.5 6.0 1.9 -32.3 179 613 A A H > S+ 0 0 11 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.878 110.8 52.9 -68.9 -37.1 8.2 2.1 -29.2 180 614 A V H X S+ 0 0 36 -4,-1.8 4,-0.6 1,-0.2 3,-0.3 0.956 111.8 46.5 -58.9 -49.2 5.7 0.1 -27.2 181 615 A A H >< S+ 0 0 62 -4,-2.7 3,-1.1 1,-0.2 4,-0.4 0.903 107.8 56.2 -60.6 -43.1 5.9 -2.6 -29.9 182 616 A K H 3< S+ 0 0 115 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.866 113.0 41.8 -56.9 -37.5 9.7 -2.5 -30.0 183 617 A E H >< S+ 0 0 0 -4,-1.7 3,-1.2 -3,-0.3 4,-0.3 0.477 86.0 99.8 -88.4 -3.9 9.9 -3.2 -26.3 184 618 A Q G X< S+ 0 0 143 -3,-1.1 3,-2.0 -4,-0.6 -1,-0.2 0.874 76.5 55.0 -54.6 -46.6 7.2 -5.9 -26.2 185 619 A S G 3 S+ 0 0 91 -4,-0.4 3,-0.3 -3,-0.3 -1,-0.3 0.739 113.8 40.8 -66.1 -23.8 9.4 -9.0 -26.2 186 620 A I G < S+ 0 0 16 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.245 110.2 63.1-101.5 12.4 11.4 -7.8 -23.1 187 621 A S < + 0 0 16 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 -0.043 65.5 145.3-130.6 31.8 8.3 -6.5 -21.3 188 622 A T - 0 0 101 -3,-0.3 -3,-0.0 1,-0.1 -157,-0.0 -0.304 60.5 -88.4 -69.2 155.6 6.2 -9.6 -20.8 189 623 A K - 0 0 143 1,-0.1 -1,-0.1 -127,-0.0 -157,-0.1 -0.382 44.4-120.1 -61.4 138.5 4.1 -9.9 -17.6 190 624 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.331 38.5 -86.9 -70.9 162.4 5.9 -11.4 -14.6 191 625 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -84,-0.1 -0.468 48.0-152.9 -66.7 144.3 4.6 -14.6 -13.0 192 626 A Y - 0 0 50 -2,-0.1 2,-0.8 2,-0.1 -84,-0.2 -0.896 17.8-124.1-119.3 149.6 1.9 -13.9 -10.3 193 627 A K B +g 108 0C 109 -86,-2.5 -84,-2.3 -2,-0.3 2,-0.3 -0.844 54.7 139.3 -88.3 110.1 0.9 -15.9 -7.3 194 628 A E - 0 0 31 -2,-0.8 5,-0.1 -86,-0.2 -84,-0.1 -0.941 57.8-105.2-153.7 128.0 -2.9 -16.3 -7.8 195 629 A R >> - 0 0 145 -2,-0.3 3,-2.0 -86,-0.2 4,-0.6 -0.337 26.1-127.9 -58.1 136.7 -4.9 -19.5 -7.0 196 630 A K G >4 S+ 0 0 168 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.882 112.0 55.5 -51.9 -41.9 -5.8 -21.4 -10.2 197 631 A D G 34 S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.674 103.5 56.5 -66.3 -17.9 -9.5 -21.4 -9.0 198 632 A E G <4 0 0 53 -3,-2.0 -87,-0.3 1,-0.2 -1,-0.3 0.532 360.0 360.0 -88.1 -11.7 -9.3 -17.6 -8.7 199 633 A L << 0 0 129 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.802 360.0 360.0 -70.7 360.0 -8.2 -17.0 -12.4