==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAY-09 3HM8 . COMPND 2 MOLECULE: HEXOKINASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.NEDYALKOVA,Y.TONG,W.RABEH,W.TEMPEL,R.LANDRY,C.H.ARROWSMITH . 1755 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 64983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1336 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 112 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 8.7 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 . 134 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 181 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 636 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.6 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 4 0 5 7 3 5 1 7 0 0 0 4 0 4 4 4 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 0 0 4 8 0 4 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 . 4 6 2 0 8 0 4 4 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 4 0 4 4 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 1 479 A S > 0 0 104 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -78.8 19.6 -32.6 -44.2 2 480 A R H > + 0 0 75 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.668 360.0 69.0 -71.0 -16.8 18.6 -29.2 -45.6 3 481 A R H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.950 99.5 45.9 -63.3 -50.5 15.0 -30.6 -45.4 4 482 A L H > S+ 0 0 64 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.920 108.9 56.8 -57.1 -46.5 15.2 -30.6 -41.5 5 483 A L H X S+ 0 0 2 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.891 111.8 41.2 -53.0 -45.0 16.7 -27.0 -41.6 6 484 A E H X S+ 0 0 63 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.915 112.4 54.3 -72.1 -43.5 13.7 -25.7 -43.5 7 485 A E H < S+ 0 0 119 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.931 111.8 46.9 -51.3 -47.8 11.2 -27.7 -41.5 8 486 A T H < S+ 0 0 19 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.910 115.6 43.0 -61.9 -46.4 12.7 -26.1 -38.4 9 487 A L H >< S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.2 4,-0.3 0.566 87.3 98.0 -79.3 -9.1 12.7 -22.5 -39.8 10 488 A A G >< S+ 0 0 55 -4,-1.5 3,-1.9 -3,-0.4 -1,-0.2 0.858 78.1 54.0 -46.5 -50.0 9.2 -22.9 -41.2 11 489 A P G 3 S+ 0 0 67 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.713 101.6 60.3 -62.3 -21.1 7.4 -21.2 -38.3 12 490 A F G < S+ 0 0 0 -3,-1.6 2,-0.8 -4,-0.2 345,-0.2 0.463 89.5 79.0 -84.1 -2.3 9.6 -18.1 -38.7 13 491 A R S < S- 0 0 84 -3,-1.9 2,-0.5 -4,-0.3 -1,-0.2 -0.818 70.6-168.5-109.9 90.9 8.3 -17.6 -42.2 14 492 A L - 0 0 15 -2,-0.8 -2,-0.0 1,-0.0 2,-0.0 -0.680 9.4-142.9 -87.8 126.3 5.0 -15.9 -41.8 15 493 A N > - 0 0 81 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.224 33.3 -93.8 -77.6 173.3 2.7 -15.6 -44.8 16 494 A H H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 123.0 50.6 -54.9 -47.9 0.5 -12.7 -45.6 17 495 A D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 110.6 49.7 -60.7 -43.7 -2.7 -14.1 -43.9 18 496 A Q H > S+ 0 0 92 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.946 112.3 47.0 -58.6 -51.8 -0.8 -14.9 -40.7 19 497 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.869 109.3 54.4 -59.5 -40.1 0.7 -11.4 -40.5 20 498 A A H X S+ 0 0 32 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.896 105.8 53.4 -59.9 -41.2 -2.7 -9.9 -41.2 21 499 A A H X S+ 0 0 55 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.860 106.3 52.4 -61.8 -38.4 -4.1 -11.9 -38.2 22 500 A V H X S+ 0 0 5 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.944 111.8 45.2 -62.7 -49.3 -1.3 -10.5 -35.9 23 501 A Q H X S+ 0 0 25 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.936 113.2 52.2 -55.0 -49.0 -2.3 -7.0 -37.0 24 502 A A H X S+ 0 0 59 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.899 111.7 45.2 -54.6 -46.2 -6.0 -7.9 -36.5 25 503 A Q H X S+ 0 0 66 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.785 112.2 49.8 -75.9 -27.9 -5.4 -9.2 -33.0 26 504 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.904 108.4 54.6 -71.4 -41.0 -3.2 -6.2 -32.0 27 505 A R H X S+ 0 0 48 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.867 110.6 46.2 -57.0 -38.1 -6.0 -4.0 -33.3 28 506 A K H X S+ 0 0 135 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.913 109.8 53.0 -70.0 -46.5 -8.4 -5.8 -31.0 29 507 A A H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 12,-0.2 0.852 109.4 50.3 -57.6 -37.7 -6.0 -5.6 -28.0 30 508 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.950 109.9 49.6 -65.3 -50.5 -5.8 -1.9 -28.5 31 509 A A H X S+ 0 0 31 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.950 114.5 44.1 -52.7 -55.7 -9.6 -1.5 -28.7 32 510 A K H X>S+ 0 0 46 -4,-2.6 5,-2.0 1,-0.2 4,-0.8 0.925 110.1 54.3 -58.1 -51.3 -10.2 -3.5 -25.5 33 511 A G H ><5S+ 0 0 14 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.888 109.3 48.8 -49.7 -46.4 -7.3 -1.8 -23.5 34 512 A L H 3<5S+ 0 0 9 -4,-2.1 188,-1.4 1,-0.2 189,-0.5 0.843 109.6 50.6 -65.1 -37.2 -8.8 1.7 -24.2 35 513 A R H 3<5S- 0 0 114 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.515 121.1-109.4 -79.4 -6.3 -12.3 0.7 -23.2 36 514 A G T <<5S+ 0 0 15 -3,-0.8 -3,-0.2 -4,-0.8 -2,-0.1 0.491 75.2 134.0 90.7 5.3 -10.9 -0.8 -19.9 37 515 A E S > - 0 0 68 0, 0.0 4,-3.0 0, 0.0 3,-0.9 -0.228 31.4-106.8 -62.3 155.9 26.1 -3.0 -14.4 92 570 A E H 3> S+ 0 0 62 1,-0.3 4,-2.5 2,-0.2 60,-0.2 0.817 123.0 63.9 -48.9 -34.7 23.5 -5.9 -14.2 93 571 A T H 34 S+ 0 0 107 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.933 110.7 33.9 -52.3 -52.6 24.5 -5.8 -10.5 94 572 A V H X4 S+ 0 0 20 -3,-0.9 3,-0.5 2,-0.2 -2,-0.2 0.875 117.4 54.4 -74.1 -39.9 23.1 -2.3 -10.1 95 573 A A H 3< S+ 0 0 5 -4,-3.0 57,-1.8 1,-0.2 58,-1.0 0.822 123.3 27.4 -64.0 -33.3 20.3 -2.9 -12.6 96 574 A Q T 3< S+ 0 0 90 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.232 111.8 84.0-112.5 10.3 19.0 -5.9 -10.7 97 575 A G S < S- 0 0 25 -3,-0.5 57,-2.3 1,-0.2 2,-0.4 0.543 93.2 -33.5 -84.5-130.1 20.3 -4.9 -7.3 98 576 A S B > -j 154 0C 36 55,-0.2 4,-2.6 1,-0.1 -1,-0.2 -0.782 42.5-132.9 -99.9 141.7 18.6 -2.6 -4.8 99 577 A G H > S+ 0 0 5 55,-1.3 4,-2.4 -2,-0.4 5,-0.3 0.890 109.4 57.2 -53.9 -42.8 16.4 0.4 -5.7 100 578 A Q H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.949 110.2 42.5 -54.3 -53.5 18.3 2.5 -3.2 101 579 A Q H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.893 111.6 56.7 -60.5 -42.2 21.7 1.7 -4.9 102 580 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.956 114.9 34.4 -55.6 -57.3 20.2 2.2 -8.4 103 581 A F H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.765 113.0 60.7 -75.3 -25.4 18.9 5.8 -7.8 104 582 A D H X S+ 0 0 50 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.957 109.2 44.6 -57.9 -50.0 21.9 6.6 -5.5 105 583 A H H X S+ 0 0 56 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.916 110.9 53.7 -58.5 -47.0 24.0 5.9 -8.6 106 584 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.920 110.9 45.7 -55.2 -48.0 21.7 7.9 -10.8 107 585 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.940 107.3 57.6 -61.9 -48.7 22.0 10.9 -8.6 108 586 A D H X S+ 0 0 89 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.882 107.3 49.7 -47.8 -43.9 25.8 10.5 -8.3 109 587 A C H X S+ 0 0 7 -4,-2.0 4,-3.5 2,-0.2 -1,-0.3 0.890 108.6 51.4 -64.1 -41.6 25.9 10.8 -12.1 110 588 A I H X S+ 0 0 14 -4,-1.7 4,-3.7 -3,-0.2 5,-0.3 0.954 111.7 46.7 -61.3 -50.9 23.7 13.9 -12.1 111 589 A V H X S+ 0 0 43 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.935 114.4 48.8 -53.8 -49.3 26.0 15.6 -9.5 112 590 A D H X S+ 0 0 61 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.960 115.3 43.3 -54.7 -55.6 29.0 14.5 -11.6 113 591 A F H X S+ 0 0 6 -4,-3.5 4,-1.7 1,-0.2 3,-0.3 0.951 114.2 49.8 -56.0 -55.6 27.5 15.8 -14.8 114 592 A Q H X>S+ 0 0 27 -4,-3.7 5,-1.3 1,-0.2 4,-1.2 0.889 111.2 50.0 -50.4 -46.2 26.3 19.1 -13.2 115 593 A Q H <5S+ 0 0 77 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.848 111.8 48.2 -62.6 -36.9 29.7 19.6 -11.7 116 594 A K H <5S+ 0 0 130 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.726 115.8 44.2 -75.7 -23.2 31.3 19.0 -15.1 117 595 A Q H <5S- 0 0 74 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.537 108.7-117.0 -98.1 -10.1 28.9 21.4 -16.9 118 596 A G T <5S+ 0 0 61 -4,-1.2 3,-0.2 -5,-0.2 -3,-0.2 0.505 81.2 123.7 81.6 4.9 29.0 24.3 -14.3 119 597 A L > < + 0 0 28 -5,-1.3 3,-1.5 -6,-0.2 -4,-0.2 0.954 33.3 135.2 -58.8 -52.5 25.2 23.7 -13.6 120 598 A S T 3 S+ 0 0 59 -6,-0.7 -1,-0.2 1,-0.3 55,-0.1 -0.147 72.0 13.5 50.1-106.4 26.1 23.2 -9.9 121 599 A G T 3 S+ 0 0 58 -3,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.855 101.3 98.3 -71.2 -38.7 23.6 25.1 -7.7 122 600 A Q < - 0 0 58 -3,-1.5 2,-0.9 1,-0.1 53,-0.1 -0.364 64.7-152.5 -55.7 114.0 21.0 25.8 -10.4 123 601 A S - 0 0 42 -2,-0.2 -1,-0.1 54,-0.1 -2,-0.1 -0.820 20.7-165.6 -93.9 103.0 18.3 23.1 -9.9 124 602 A L - 0 0 58 -2,-0.9 54,-0.6 1,-0.1 2,-0.3 -0.397 29.8 -88.7 -89.9 162.0 16.8 22.8 -13.4 125 603 A P - 0 0 17 0, 0.0 -64,-1.7 0, 0.0 2,-0.4 -0.566 47.6-138.7 -67.7 127.7 13.6 21.1 -14.6 126 604 A L E -gi 61 180B 14 53,-1.2 55,-1.7 -2,-0.3 2,-0.7 -0.720 10.7-155.2 -93.4 138.3 14.4 17.4 -15.3 127 605 A G E -gi 62 181B 0 -66,-1.9 -64,-1.2 -2,-0.4 2,-0.9 -0.884 18.6-159.4-109.3 95.1 13.1 15.6 -18.3 128 606 A F E -gi 63 182B 0 53,-2.4 55,-2.7 -2,-0.7 2,-0.9 -0.674 9.0-164.8 -85.5 105.6 13.2 12.0 -17.1 129 607 A T E +gi 64 183B 0 -66,-3.1 -64,-3.0 -2,-0.9 2,-0.5 -0.819 16.7 175.2 -85.6 111.6 13.1 9.5 -20.0 130 608 A F E -g 65 0B 1 53,-3.0 2,-2.3 -2,-0.9 -64,-0.2 -0.884 20.1-155.5-126.5 96.7 12.3 6.3 -18.2 131 609 A S + 0 0 5 -66,-2.6 53,-0.1 -2,-0.5 17,-0.1 -0.297 59.8 86.0 -80.9 59.8 11.8 3.5 -20.6 132 610 A F S S- 0 0 2 -2,-2.3 2,-0.3 15,-0.1 15,-0.1 -0.935 88.5 -73.8-146.7 166.1 9.5 1.2 -18.6 133 611 A P + 0 0 8 0, 0.0 12,-3.0 0, 0.0 13,-0.8 -0.493 53.8 174.8 -71.9 124.6 5.8 0.9 -17.9 134 612 A C E -K 144 0D 7 -2,-0.3 2,-0.8 10,-0.3 10,-0.2 -0.976 33.7-133.4-131.1 144.2 4.3 3.6 -15.7 135 613 A R E -K 143 0D 24 8,-2.3 8,-2.4 -2,-0.4 2,-0.4 -0.863 36.3-174.9 -90.3 112.0 0.9 4.5 -14.5 136 614 A Q + 0 0 13 -2,-0.8 6,-0.1 -91,-0.6 -89,-0.1 -0.928 30.9 174.5-113.7 136.1 0.8 8.2 -15.0 137 615 A L S S+ 0 0 32 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.162 82.3 7.3-113.6 12.2 -2.0 10.6 -14.0 138 616 A G S > S- 0 0 10 3,-0.5 3,-1.0 -93,-0.1 -1,-0.2 -0.951 80.7-100.5-175.6 166.5 0.1 13.6 -15.1 139 617 A L T 3 S+ 0 0 21 -2,-0.3 43,-2.9 1,-0.2 -1,-0.1 0.867 118.4 57.1 -64.8 -36.5 3.4 14.5 -16.8 140 618 A D T 3 S+ 0 0 93 41,-0.2 2,-0.3 296,-0.1 -1,-0.2 0.266 106.9 52.4 -82.0 9.9 5.0 15.1 -13.4 141 619 A Q < + 0 0 17 -3,-1.0 -3,-0.5 41,-0.2 2,-0.2 -0.997 49.7 169.2-149.0 149.4 4.3 11.6 -12.0 142 620 A G - 0 0 0 -2,-0.3 19,-2.8 -6,-0.1 2,-0.8 -0.703 18.9-153.1-166.9 109.1 4.8 7.9 -12.9 143 621 A I E -KL 135 160D 0 -8,-2.4 -8,-2.3 17,-0.3 17,-0.3 -0.762 29.2-124.9 -87.2 111.9 4.3 4.8 -10.9 144 622 A L E -K 134 0D 0 15,-2.1 14,-3.4 -2,-0.8 15,-0.3 -0.365 27.2-175.7 -55.0 120.4 6.5 2.0 -12.2 145 623 A L - 0 0 30 -12,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.918 63.8 -11.2 -84.3 -50.9 4.3 -0.9 -12.9 146 624 A N - 0 0 79 -13,-0.8 -1,-0.3 11,-0.1 2,-0.2 -0.996 59.5-122.0-148.6 148.8 6.9 -3.4 -13.9 147 625 A W - 0 0 16 -2,-0.3 2,-0.3 -3,-0.1 -15,-0.1 -0.619 38.1-179.2 -80.4 154.9 10.6 -3.7 -14.7 148 626 A T > + 0 0 6 -2,-0.2 3,-1.8 -17,-0.1 2,-0.2 -0.817 44.7 22.3-142.1-179.3 11.2 -5.1 -18.1 149 627 A K T 3 S- 0 0 12 -2,-0.3 113,-0.2 1,-0.2 114,-0.2 -0.371 129.6 -19.4 58.3-121.7 14.2 -6.0 -20.3 150 628 A G T 3 S+ 0 0 17 -84,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.280 109.0 105.0-104.4 10.6 17.3 -6.5 -18.0 151 629 A F < + 0 0 24 -3,-1.8 -55,-0.2 1,-0.1 -56,-0.1 -0.717 21.5 151.9 -97.4 142.2 16.1 -4.6 -14.9 152 630 A K + 0 0 45 -57,-1.8 -56,-0.2 -2,-0.3 -1,-0.1 0.015 20.7 166.2-150.6 29.0 14.9 -6.2 -11.6 153 631 A A > - 0 0 3 -58,-1.0 3,-0.6 -55,-0.1 4,-0.4 -0.261 35.6-119.8 -57.0 131.5 15.9 -3.5 -9.0 154 632 A S B 3 S+j 98 0C 49 -57,-2.3 -55,-1.3 1,-0.2 -54,-0.1 -0.271 83.4 17.7 -78.0 158.8 14.1 -4.2 -5.7 155 633 A D T 3 S+ 0 0 93 -57,-0.1 -1,-0.2 -56,-0.1 -2,-0.1 0.727 100.4 95.9 57.1 28.7 11.6 -2.0 -3.8 156 634 A C X + 0 0 1 -3,-0.6 3,-2.0 -4,-0.0 -12,-0.3 0.728 50.1 94.1-114.1 -38.6 10.9 0.1 -6.9 157 635 A E T 3 S+ 0 0 104 -4,-0.4 -12,-0.2 1,-0.3 3,-0.1 -0.373 94.5 22.3 -63.3 135.4 7.8 -1.4 -8.5 158 636 A G T 3 S+ 0 0 14 -14,-3.4 2,-0.3 1,-0.3 -1,-0.3 0.444 102.3 116.4 84.8 1.4 4.6 0.3 -7.4 159 637 A Q S < S- 0 0 29 -3,-2.0 -15,-2.1 -15,-0.3 2,-0.5 -0.796 75.4-114.2-101.7 144.5 6.7 3.4 -6.5 160 638 A D B > -L 143 0D 1 -2,-0.3 4,-2.4 -17,-0.3 3,-0.5 -0.677 24.2-145.5 -71.4 122.2 6.4 6.8 -8.2 161 639 A V H > S+ 0 0 0 -19,-2.8 4,-1.6 -2,-0.5 -1,-0.2 0.771 98.6 60.6 -65.2 -26.3 9.8 7.1 -9.9 162 640 A V H > S+ 0 0 9 -20,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.904 108.7 44.4 -64.4 -40.6 9.8 10.9 -9.2 163 641 A S H > S+ 0 0 10 -3,-0.5 4,-2.8 2,-0.2 5,-0.3 0.945 107.3 57.8 -65.9 -49.0 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3,-2.5 1,-0.3 4,-0.5 0.852 81.8 69.8 -57.0 -37.1 29.9 -26.0 -25.4 303 781 A R G > S+ 0 0 107 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.767 87.5 65.2 -49.8 -30.6 30.3 -22.4 -26.4 304 782 A L G < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.722 92.8 61.8 -68.7 -22.1 26.8 -22.6 -27.9 305 783 A Q G < S+ 0 0 130 -3,-2.5 2,-0.3 -4,-0.3 -1,-0.2 0.689 81.3 105.1 -73.4 -20.1 25.5 -23.1 -24.3 306 784 A T S X S- 0 0 58 -3,-1.1 3,-0.6 -4,-0.5 2,-0.1 -0.471 74.8-123.8 -67.4 126.4 26.9 -19.7 -23.3 307 785 A R T 3 S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.379 81.0 10.4 -72.2 146.0 24.1 -17.1 -23.0 308 786 A D T 3 S+ 0 0 61 2,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.818 74.1 133.8 58.8 41.5 24.1 -13.8 -25.0 309 787 A I < + 0 0 14 -3,-0.6 2,-1.1 1,-0.2 -2,-0.1 0.782 62.8 67.1 -83.3 -31.8 26.9 -14.5 -27.5 310 788 A F S S+ 0 0 6 -31,-0.2 -31,-0.2 4,-0.1 -1,-0.2 -0.718 74.1 176.0 -94.6 89.9 24.8 -13.2 -30.4 311 789 A K > - 0 0 138 -2,-1.1 4,-3.4 -3,-0.1 3,-0.4 -0.455 45.1-103.0 -90.6 164.1 24.4 -9.5 -29.8 312 790 A T H > S+ 0 0 18 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.907 122.2 55.9 -50.6 -50.7 22.7 -6.9 -31.9 313 791 A K H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.891 114.8 41.7 -50.4 -41.6 26.1 -5.5 -33.1 314 792 A F H > S+ 0 0 17 -3,-0.4 4,-3.1 2,-0.2 5,-0.3 0.954 111.3 52.4 -71.1 -53.3 26.8 -9.1 -34.3 315 793 A L H X S+ 0 0 5 -4,-3.4 4,-1.0 1,-0.2 -2,-0.2 0.831 112.4 48.1 -54.0 -33.6 23.4 -9.9 -35.8 316 794 A S H < S+ 0 0 11 -4,-2.7 4,-0.4 -5,-0.3 -1,-0.2 0.867 114.6 45.5 -74.1 -37.4 23.7 -6.7 -37.8 317 795 A E H >< S+ 0 0 112 -4,-1.3 3,-1.3 -5,-0.3 -2,-0.2 0.921 106.8 57.2 -71.5 -45.0 27.2 -7.5 -39.0 318 796 A I H 3< S+ 0 0 8 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.862 109.2 46.5 -54.2 -40.7 26.6 -11.2 -39.9 319 797 A E T 3< S+ 0 0 27 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.493 78.9 126.8 -85.5 -5.2 23.8 -10.3 -42.3 320 798 A S X - 0 0 36 -3,-1.3 3,-1.4 -4,-0.4 -3,-0.0 -0.321 57.0-144.2 -53.3 127.1 25.7 -7.5 -44.1 321 799 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.2 -2,-0.0 -3,-0.0 0.654 95.4 71.9 -70.9 -14.9 25.6 -8.2 -47.9 322 800 A S T 3 S+ 0 0 89 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.420 81.1 98.3 -78.0 -0.2 29.2 -6.8 -48.2 323 801 A L < - 0 0 46 -3,-1.4 2,-0.2 -6,-0.1 -5,-0.0 -0.729 63.7-147.9 -91.4 139.2 30.5 -9.9 -46.4 324 802 A A >> - 0 0 53 -2,-0.4 4,-1.8 1,-0.1 3,-0.6 -0.632 33.7-105.7 -92.7 161.7 32.0 -12.9 -48.2 325 803 A L H 3> S+ 0 0 56 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.883 121.2 57.0 -58.7 -41.2 31.5 -16.3 -46.6 326 804 A R H 3> S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 109.0 48.5 -56.1 -36.6 35.1 -16.5 -45.4 327 805 A Q H <> S+ 0 0 93 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.836 108.1 52.5 -73.6 -35.8 34.4 -13.3 -43.5 328 806 A V H X S+ 0 0 7 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.926 112.7 45.8 -62.0 -45.8 31.2 -14.7 -42.0 329 807 A R H X S+ 0 0 77 -4,-2.6 4,-2.9 2,-0.2 10,-0.2 0.860 108.4 57.1 -64.6 -37.7 33.1 -17.7 -40.8 330 808 A A H X S+ 0 0 48 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.965 105.8 50.0 -56.2 -53.7 35.9 -15.3 -39.5 331 809 A I H < S+ 0 0 31 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.874 114.0 44.3 -52.6 -45.0 33.3 -13.5 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31.1 -23.1 -44.9 342 820 A D H > S+ 0 0 116 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.838 114.8 44.9 -44.3 -44.2 28.0 -25.3 -45.0 343 821 A D H > S+ 0 0 20 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.946 110.6 53.5 -65.5 -50.1 27.5 -24.6 -41.3 344 822 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.873 108.0 51.8 -51.9 -41.6 28.2 -21.0 -41.7 345 823 A L H X S+ 0 0 89 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.938 110.3 47.3 -62.0 -47.9 25.5 -20.8 -44.5 346 824 A M H X S+ 0 0 28 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.903 111.1 52.1 -61.6 -41.2 22.9 -22.5 -42.2 347 825 A V H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.940 110.9 47.4 -58.9 -47.3 23.8 -20.1 -39.4 348 826 A L H X S+ 0 0 30 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.866 110.4 51.9 -64.9 -37.2 23.4 -17.1 -41.6 349 827 A E H X S+ 0 0 49 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.934 107.2 53.6 -62.0 -45.8 20.1 -18.5 -42.9 350 828 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.897 108.6 50.1 -55.5 -44.5 18.9 -18.9 -39.3 351 829 A C H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.920 110.8 47.8 -60.6 -47.7 19.7 -15.2 -38.6 352 830 A Q H X S+ 0 0 86 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.946 110.9 52.6 -57.6 -50.0 17.8 -14.0 -41.6 353 831 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.902 115.2 40.2 -52.5 -48.6 14.9 -16.2 -40.6 354 832 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.948 116.9 46.2 -69.1 -52.4 14.7 -14.8 -37.1 355 833 A S H X S+ 0 0 7 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.822 110.6 57.0 -61.6 -31.7 15.4 -11.1 -37.9 356 834 A Q H X S+ 0 0 79 -4,-2.7 4,-2.9 -5,-0.3 5,-0.2 0.976 107.9 44.3 -62.8 -56.2 12.9 -11.3 -40.7 357 835 A R H X S+ 0 0 2 -4,-1.9 4,-3.4 1,-0.2 5,-0.3 0.912 112.3 55.6 -53.0 -44.3 10.0 -12.5 -38.5 358 836 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.934 111.2 42.3 -53.5 -51.4 11.2 -9.8 -36.0 359 837 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.900 116.0 49.6 -62.9 -42.2 10.9 -7.1 -38.7 360 838 A Q H X S+ 0 0 27 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.905 109.9 48.9 -67.0 -43.9 7.6 -8.5 -40.0 361 839 A L H X S+ 0 0 0 -4,-3.4 4,-2.2 2,-0.2 -2,-0.2 0.966 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