==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-01 1HU9 . COMPND 2 MOLECULE: LIPOXYGENASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR K.ZHOU,E.SKRZYPCZAK-JANKUN,N.P.MCCABE,S.H.SELMAN,J.JANKUN . 849 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 3 0.4 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 . 57 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.7 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 5 4 3 3 1 1 2 1 1 0 2 2 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 3 2 0 2 1 2 2 0 1 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 0 1 2 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 9 A G 0 0 84 0, 0.0 2,-0.3 0, 0.0 97,-0.3 0.000 360.0 360.0 360.0 -65.3 46.9 34.0 -23.4 2 10 A H E -A 97 0A 88 95,-0.6 95,-1.1 2,-0.0 2,-0.3 -0.943 360.0-108.2-176.6-168.0 44.4 31.1 -23.7 3 11 A K E -A 96 0A 102 -2,-0.3 93,-0.2 93,-0.2 2,-0.1 -0.777 30.3-142.0-151.7 97.4 41.0 29.9 -22.5 4 12 A I E -A 95 0A 2 91,-1.5 91,-2.2 -2,-0.3 2,-0.6 -0.366 15.0-127.6 -65.4 137.4 40.9 26.9 -20.1 5 13 A K E +AB 94 125A 113 120,-1.0 120,-3.0 121,-0.2 2,-0.4 -0.774 31.2 179.0 -91.3 116.4 38.2 24.2 -20.5 6 14 A G E -AB 93 124A 5 87,-1.7 87,-1.6 -2,-0.6 2,-0.5 -0.914 16.7-161.9-120.7 143.0 36.2 23.4 -17.4 7 15 A T E -AB 92 123A 19 116,-1.9 116,-1.5 -2,-0.4 2,-0.4 -0.982 11.6-157.4-124.7 116.4 33.3 21.0 -16.8 8 16 A V E -AB 91 122A 5 83,-2.3 83,-1.6 -2,-0.5 2,-0.5 -0.815 3.4-163.2 -94.8 129.9 31.1 21.5 -13.7 9 17 A V E +AB 90 121A 12 112,-2.3 111,-2.6 -2,-0.4 112,-1.5 -0.957 21.8 153.7-115.6 127.6 29.1 18.7 -12.2 10 18 A L E -AB 89 119A 1 79,-2.0 79,-2.5 -2,-0.5 2,-0.4 -0.866 33.5-132.7-141.0 178.2 26.3 19.4 -9.8 11 19 A M E -AB 88 118A 16 107,-2.0 107,-2.7 -2,-0.3 2,-0.2 -0.987 23.6-126.1-136.0 138.1 23.0 18.1 -8.4 12 20 A R E >> - B 0 117A 45 75,-0.5 3,-1.7 -2,-0.4 4,-0.9 -0.630 26.5-113.2 -83.8 151.5 19.8 20.0 -7.9 13 21 A K H 3> S+ 0 0 49 103,-0.7 4,-2.7 1,-0.3 3,-0.3 0.807 113.0 66.2 -51.1 -35.4 18.0 20.1 -4.5 14 22 A N H 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.813 98.4 53.0 -57.6 -35.9 15.1 18.2 -6.0 15 23 A V H <4 S+ 0 0 15 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 120.9 27.5 -68.9 -42.9 17.3 15.1 -6.5 16 24 A L H < S+ 0 0 15 -4,-0.9 242,-1.5 -3,-0.3 2,-0.3 0.651 95.6 101.4 -96.1 -23.0 18.7 14.9 -2.9 17 25 A D >X - 0 0 38 -4,-2.7 4,-1.6 -5,-0.2 3,-0.7 -0.516 61.6-146.5 -70.8 129.7 15.9 16.5 -0.8 18 26 A V T 34 S+ 0 0 18 -2,-0.3 4,-0.5 1,-0.2 -1,-0.1 0.878 94.8 60.7 -62.2 -42.6 13.5 14.1 1.0 19 27 A N T 34 S+ 0 0 112 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.762 118.5 29.0 -58.3 -28.3 10.4 16.3 0.7 20 28 A S T <4 S+ 0 0 53 -3,-0.7 3,-0.3 -7,-0.2 -1,-0.2 0.578 115.8 58.3-109.3 -13.2 10.6 16.1 -3.1 21 29 A V >< + 0 0 10 -4,-1.6 3,-0.8 1,-0.2 240,-0.3 0.195 68.1 107.2-102.2 15.3 12.3 12.7 -3.6 22 30 A T T 3 S+ 0 0 46 -4,-0.5 -1,-0.2 1,-0.2 300,-0.1 0.378 70.5 69.9 -73.9 8.1 9.6 10.8 -1.8 23 31 A S T 3 S+ 0 0 112 -3,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.814 91.0 56.7 -92.8 -39.7 8.5 9.5 -5.3 24 32 A V < + 0 0 64 -3,-0.8 237,-3.1 235,-0.2 -1,-0.1 -0.874 53.7 116.5-103.4 125.2 11.4 7.2 -6.2 25 33 A G + 0 0 11 -2,-0.5 3,-0.1 235,-0.3 -1,-0.1 0.299 58.6 79.3-161.3 -3.0 12.4 4.3 -3.9 26 34 A G S S- 0 0 64 1,-0.3 2,-0.3 -3,-0.2 -2,-0.1 0.752 111.6 -5.4 -83.8 -29.1 11.8 1.2 -6.0 27 35 A I - 0 0 131 3,-0.1 -1,-0.3 4,-0.0 2,-0.3 -0.904 66.5-173.2-166.4 136.3 15.1 1.6 -7.9 28 36 A I + 0 0 48 -2,-0.3 3,-0.1 -3,-0.1 232,-0.1 -0.964 61.7 47.0-137.0 157.9 17.9 4.2 -8.1 29 37 A G S S+ 0 0 22 1,-0.5 57,-0.5 -2,-0.3 2,-0.2 -0.038 103.9 78.3 102.8 -26.5 21.1 4.9 -10.1 30 38 A Q + 0 0 137 2,-0.1 -1,-0.5 55,-0.1 4,-0.1 -0.510 34.9 101.8-106.6 176.6 19.0 4.2 -13.3 31 39 A G S > S- 0 0 57 -2,-0.2 3,-0.8 -3,-0.1 -1,-0.1 0.724 118.9 -49.8 109.7 50.1 16.4 6.1 -15.3 32 40 A L G > S- 0 0 131 1,-0.2 3,-0.5 2,-0.1 -2,-0.1 0.550 89.5 -94.7 65.1 11.1 18.5 7.3 -18.2 33 41 A D G 3 - 0 0 53 1,-0.2 -1,-0.2 2,-0.1 55,-0.1 0.916 55.0 -88.9 45.2 58.8 20.9 8.4 -15.5 34 42 A L G < - 0 0 54 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.581 48.7-167.7 5.4 73.7 19.6 12.0 -15.4 35 43 A V < - 0 0 19 -3,-0.5 2,-1.2 1,-0.2 55,-0.5 0.488 34.0-125.3 -60.1 0.1 22.0 13.2 -18.1 36 44 A G S S+ 0 0 7 53,-0.2 5,-0.3 2,-0.1 6,-0.3 -0.356 93.8 79.2 87.1 -54.3 20.8 16.7 -17.1 37 45 A S S S+ 0 0 27 -2,-1.2 5,-0.2 42,-0.6 3,-0.1 0.928 70.9 82.7 -52.0 -61.8 19.8 17.8 -20.6 38 46 A T S S+ 0 0 95 1,-0.2 3,-0.2 41,-0.2 -2,-0.1 -0.157 101.8 18.3 -50.4 137.0 16.3 16.1 -20.9 39 47 A L S S- 0 0 145 1,-0.2 2,-0.5 2,-0.1 -1,-0.2 0.978 97.8-143.6 60.3 56.3 13.5 18.1 -19.3 40 48 A D + 0 0 68 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 -0.386 56.2 136.9 -63.5 108.7 15.7 21.2 -19.3 41 49 A T > + 0 0 72 -2,-0.5 3,-1.5 -5,-0.3 -1,-0.2 0.223 58.6 90.6-123.2 -6.0 15.3 23.3 -16.2 42 50 A L G >> + 0 0 2 -6,-0.3 3,-1.6 1,-0.3 4,-0.5 0.580 60.6 81.7 -69.5 -15.8 19.0 23.6 -16.2 43 51 A T G >4 S+ 0 0 80 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.800 78.8 74.9 -60.7 -22.6 18.9 26.7 -18.4 44 52 A A G <4 S+ 0 0 48 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.825 91.5 51.1 -57.0 -34.7 18.2 28.3 -15.0 45 53 A F G <4>S+ 0 0 11 -3,-1.6 5,-0.7 -4,-0.1 29,-0.4 0.639 99.2 85.1 -78.7 -16.1 21.9 27.9 -14.1 46 54 A L T <<5S+ 0 0 32 -3,-1.3 2,-0.3 -4,-0.5 3,-0.2 -0.327 78.7 30.5 -80.7 166.6 22.8 29.6 -17.3 47 55 A G T 5S- 0 0 51 27,-0.7 3,-0.3 1,-0.2 27,-0.2 -0.671 130.9 -18.2 88.0-140.0 23.0 33.4 -17.7 48 56 A R T 5S+ 0 0 195 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.025 108.6 104.2 -94.8 34.0 23.9 35.4 -14.6 49 57 A S T 5S+ 0 0 22 -4,-0.3 63,-3.1 1,-0.2 2,-0.4 0.902 80.2 16.8 -82.1 -48.7 23.1 32.5 -12.2 50 58 A V E < -E 111 0B 2 -5,-0.7 24,-1.4 -3,-0.3 2,-0.4 -0.989 62.7-166.7-135.2 131.3 26.5 31.0 -11.1 51 59 A S E -EF 110 73B 5 59,-1.8 59,-2.0 -2,-0.4 2,-0.3 -0.937 1.6-165.0-124.1 136.0 30.0 32.3 -11.3 52 60 A L E -EF 109 72B 2 20,-3.0 20,-2.9 -2,-0.4 2,-0.4 -0.868 1.5-167.8-114.5 148.6 33.4 30.7 -10.8 53 61 A Q E -E 108 0B 41 55,-2.0 55,-2.1 -2,-0.3 18,-0.1 -0.945 16.7-135.0-141.7 116.9 36.8 32.3 -10.3 54 62 A L E -EF 107 69B 2 15,-0.5 15,-2.1 -2,-0.4 2,-0.5 -0.411 10.5-152.7 -73.5 141.8 40.2 30.6 -10.5 55 63 A I E -EF 106 68B 0 51,-3.1 50,-2.6 13,-0.2 51,-1.2 -0.972 19.6-127.4-116.3 122.6 42.9 31.2 -7.9 56 64 A S E -E 104 0B 0 11,-2.2 46,-0.1 -2,-0.5 11,-0.1 -0.565 14.0-164.5 -73.4 132.5 46.5 30.7 -9.0 57 65 A A E S+ 0 0 12 46,-3.1 111,-0.4 -2,-0.3 -1,-0.1 0.472 91.4 37.1 -92.1 -4.2 48.6 28.4 -6.9 58 66 A T E S+ 0 0 79 45,-0.5 2,-0.6 43,-0.3 44,-0.1 0.630 105.5 65.0-119.0 -25.6 51.8 29.7 -8.5 59 67 A K E - 0 0 86 42,-0.4 8,-2.6 44,-0.2 2,-0.4 -0.920 63.7-166.1-108.5 119.4 51.3 33.5 -9.1 60 68 A A E - F 0 66B 48 -2,-0.6 6,-0.3 6,-0.3 5,-0.1 -0.850 8.1-143.7-106.9 138.9 50.9 35.7 -6.0 61 69 A D - 0 0 77 4,-2.8 -1,-0.1 -2,-0.4 6,-0.1 0.356 58.3 -39.1 -75.6-149.7 49.6 39.3 -6.0 62 70 A A S S+ 0 0 110 2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.887 137.7 17.3 -42.3 -60.5 50.7 42.3 -3.9 63 71 A N S S- 0 0 118 2,-0.1 -3,-0.1 0, 0.0 -1,-0.0 0.935 121.4 -75.8 -79.4 -86.6 51.1 40.4 -0.6 64 72 A G S S+ 0 0 21 103,-0.1 2,-0.3 2,-0.1 105,-0.2 0.256 85.5 124.2-164.4 9.6 51.3 36.7 -1.3 65 73 A K - 0 0 49 1,-0.1 -4,-2.8 104,-0.1 103,-0.2 -0.665 69.4 -95.6 -85.2 135.5 47.8 35.5 -2.1 66 74 A G E -F 60 0B 0 101,-2.9 2,-0.3 -2,-0.3 -6,-0.3 -0.052 42.0-103.7 -49.5 145.0 47.2 33.7 -5.4 67 75 A K E - 0 0 66 -8,-2.6 -11,-2.2 34,-0.2 2,-0.5 -0.578 31.1-141.9 -77.5 128.3 46.0 35.8 -8.3 68 76 A L E -F 55 0B 72 -2,-0.3 2,-0.8 -13,-0.2 -13,-0.2 -0.794 8.2-145.5 -95.8 128.3 42.3 35.4 -9.2 69 77 A G E -F 54 0B 10 -15,-2.1 -15,-0.5 -2,-0.5 27,-0.2 -0.648 46.4 -61.4-105.8 86.1 41.2 35.3 -12.8 70 78 A K E - 0 0 157 -2,-0.8 -16,-0.3 -17,-0.1 2,-0.3 0.889 54.7 -99.4 54.9 118.2 37.8 36.9 -13.8 71 79 A A E - 0 0 46 -18,-0.1 2,-0.4 -3,-0.1 -18,-0.2 -0.478 46.9-166.1 -66.1 118.6 34.5 35.7 -12.5 72 80 A T E -F 52 0B 27 -20,-2.9 -20,-3.0 -2,-0.3 2,-0.2 -0.901 7.6-139.9-110.7 141.4 33.1 33.5 -15.3 73 81 A F E -F 51 0B 44 -2,-0.4 2,-0.2 -22,-0.2 -22,-0.2 -0.589 32.9 -85.2 -99.3 161.7 29.5 32.3 -15.5 74 82 A L - 0 0 7 -24,-1.4 -27,-0.7 -29,-0.4 2,-0.5 -0.479 42.2-165.9 -65.7 126.9 28.1 28.9 -16.6 75 83 A E - 0 0 130 17,-1.9 17,-0.3 -2,-0.2 -29,-0.1 -0.852 47.4 -28.2-121.4 99.9 27.8 28.7 -20.4 76 84 A G - 0 0 6 -2,-0.5 16,-2.2 15,-0.1 2,-0.3 0.303 66.7 -87.2 82.2 152.8 25.7 25.8 -21.7 77 85 A I E -C 91 0A 31 14,-0.2 2,-0.8 -3,-0.1 14,-0.3 -0.698 24.2-137.7 -99.0 143.0 24.8 22.3 -20.7 78 86 A I E -C 90 0A 35 12,-1.8 12,-0.6 -2,-0.3 -41,-0.2 -0.923 18.1-156.1-102.4 110.7 26.7 19.2 -21.5 79 87 A T - 0 0 84 -2,-0.8 -42,-0.6 -43,-0.1 -41,-0.2 0.872 66.9 -7.4 -55.6 -48.7 24.1 16.7 -22.5 80 88 A S - 0 0 69 -44,-0.1 10,-0.1 -43,-0.1 -2,-0.1 0.686 60.4-176.4-118.6 -84.8 25.8 13.4 -21.8 81 89 A L > - 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0 0 5 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.360 23.1-113.3 -64.4 147.1 42.6 21.5 6.0 531 539 A V T 3 S+ 0 0 58 1,-0.3 -1,-0.1 -5,-0.1 6,-0.1 0.781 120.7 58.0 -49.6 -29.6 40.6 19.4 3.3 532 540 A V T 3 S+ 0 0 9 4,-0.1 -373,-0.9 -374,-0.1 -1,-0.3 0.691 81.8 107.4 -74.2 -23.2 44.0 19.3 1.5 533 541 A H S <> S- 0 0 0 -3,-2.2 4,-1.8 -375,-0.2 5,-0.2 -0.322 72.5-132.8 -64.2 135.1 45.8 17.6 4.5 534 542 A P H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.852 106.4 50.3 -57.3 -37.0 46.6 14.0 3.9 535 543 A I H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 105.0 57.7 -72.4 -32.0 45.3 12.9 7.3 536 544 A Y H > S+ 0 0 20 -6,-0.3 4,-3.0 1,-0.2 -1,-0.2 0.941 107.6 47.5 -60.1 -45.5 42.0 14.7 6.7 537 545 A K H < S+ 0 0 29 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.744 109.8 53.1 -69.1 -25.1 41.5 12.6 3.5 538 546 A L H < S+ 0 0 3 -4,-1.1 -1,-0.2 -5,-0.2 4,-0.2 0.886 117.7 37.3 -75.7 -37.9 42.3 9.4 5.4 539 547 A L H >< S+ 0 0 7 -4,-2.3 3,-1.8 1,-0.1 -2,-0.2 0.882 95.7 80.2 -82.6 -40.8 39.8 10.2 8.1 540 548 A H G >X S+ 0 0 69 -4,-3.0 3,-2.2 1,-0.3 4,-0.6 0.744 84.4 57.3 -40.2 -52.1 36.8 11.8 6.2 541 549 A P G >4 S+ 0 0 26 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.819 102.6 58.9 -55.2 -28.9 35.0 8.8 4.8 542 550 A H G <4 S+ 0 0 8 -3,-1.8 305,-0.5 1,-0.2 -2,-0.2 0.311 100.6 55.7 -86.5 12.8 34.6 7.4 8.3 543 551 A Y G X4 S+ 0 0 1 -3,-2.2 3,-2.2 303,-0.2 4,-0.5 0.485 72.6 139.2-116.1 -13.6 32.7 10.5 9.5 544 552 A R T << S- 0 0 49 -3,-0.7 -290,-0.1 -4,-0.6 302,-0.1 -0.092 82.8 -17.0 -43.7 116.9 29.9 10.4 6.9 545 553 A D T 3> S+ 0 0 9 -291,-0.3 4,-1.6 -292,-0.2 -1,-0.3 0.560 98.2 121.5 62.7 13.2 26.5 11.2 8.4 546 554 A T H <> S+ 0 0 0 -3,-2.2 4,-2.2 2,-0.2 5,-0.2 0.946 74.0 47.2 -70.2 -48.6 27.6 10.6 12.0 547 555 A M H > S+ 0 0 7 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.775 113.6 51.9 -62.0 -26.9 26.8 14.1 13.2 548 556 A N H > S+ 0 0 29 -294,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.824 109.4 45.6 -79.2 -36.3 23.4 13.8 11.5 549 557 A I H X S+ 0 0 3 -4,-1.6 4,-1.5 298,-0.3 -2,-0.2 0.856 115.7 48.8 -76.7 -30.8 22.5 10.5 13.0 550 558 A N H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.833 104.8 57.7 -74.1 -36.9 23.6 11.8 16.5 551 559 A G H X S+ 0 0 3 -4,-1.4 4,-1.0 1,-0.2 -1,-0.2 0.862 107.5 49.1 -61.3 -36.1 21.7 15.0 16.1 552 560 A L H X S+ 0 0 12 -4,-1.1 4,-2.9 2,-0.2 5,-0.5 0.880 107.5 54.6 -68.8 -41.5 18.5 12.9 15.7 553 561 A A H X>S+ 0 0 2 -4,-1.5 5,-3.1 1,-0.2 4,-1.8 0.872 107.6 49.1 -59.9 -42.1 19.4 10.8 18.8 554 562 A R H <5S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 115.6 46.5 -67.7 -29.2 19.6 13.9 20.9 555 563 A L H <5S- 0 0 14 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.849 139.1 -8.2 -82.1 -37.7 16.3 15.0 19.5 556 564 A S H <5S+ 0 0 9 -4,-2.9 7,-1.2 -5,-0.1 -3,-0.2 0.438 125.8 52.3-145.7 6.9 14.3 11.7 19.8 557 565 A L T <5S+ 0 0 22 -4,-1.8 7,-1.8 -5,-0.5 8,-0.4 0.824 120.0 19.4-108.4 -54.6 16.4 8.7 20.9 558 566 A V S S- 0 0 21 -6,-0.4 3,-1.9 1,-0.0 6,-0.4 -0.370 83.6 -74.1 -90.6 173.6 16.2 12.6 25.1 560 568 A D T 3 S+ 0 0 17 -358,-3.4 -357,-0.1 1,-0.3 -358,-0.1 0.646 128.1 9.5 -32.7 -49.2 13.9 13.3 28.0 561 569 A G T 3 S+ 0 0 40 4,-0.0 -1,-0.3 -350,-0.0 5,-0.1 0.217 101.5 141.2-123.7 17.0 10.9 11.1 27.0 562 570 A G <> - 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0 0 10 -3,-1.5 2,-0.4 -4,-0.5 -3,-0.0 -0.484 40.1-176.4 -70.7 126.5 36.8 4.7 29.1 586 594 A V > - 0 0 18 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.989 22.3-143.1-127.2 119.3 40.4 4.8 27.8 587 595 A F G > S+ 0 0 4 -2,-0.4 3,-2.4 1,-0.3 4,-0.3 0.901 99.1 52.1 -41.9 -59.4 41.1 5.5 24.1 588 596 A T G > S+ 0 0 42 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.672 101.3 62.6 -58.2 -19.7 44.0 3.1 23.7 589 597 A D G < S+ 0 0 39 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.426 86.3 75.9 -86.8 3.3 41.9 0.3 25.1 590 598 A Q G < + 0 0 28 -3,-2.4 -1,-0.2 -4,-0.2 2,-0.2 0.629 69.5 101.0 -85.5 -17.3 39.5 0.6 22.2 591 599 A A S <> S- 0 0 2 -3,-0.7 4,-2.8 -4,-0.3 5,-0.2 -0.499 83.2-123.0 -67.2 137.6 42.0 -1.1 19.8 592 600 A L H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 106.9 47.2 -53.2 -48.4 40.9 -4.7 19.4 593 601 A P H > S+ 0 0 30 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.941 114.9 47.0 -60.8 -45.7 44.1 -6.4 20.5 594 602 A A H > S+ 0 0 31 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.910 111.8 51.1 -60.4 -46.1 44.4 -4.2 23.6 595 603 A D H X S+ 0 0 30 -4,-2.8 4,-2.0 1,-0.2 6,-0.2 0.961 110.2 48.8 -57.1 -52.8 40.7 -4.7 24.5 596 604 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-1.0 0.873 114.9 44.4 -52.3 -46.9 41.0 -8.6 24.2 597 605 A I H ><5S+ 0 0 61 -4,-2.1 3,-2.1 4,-0.2 -1,-0.2 0.914 109.0 57.6 -65.7 -43.9 44.1 -8.6 26.4 598 606 A K H 3<5S+ 0 0 96 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.859 109.8 44.2 -55.7 -38.5 42.5 -6.2 28.8 599 607 A R T 3<5S- 0 0 8 -4,-2.0 -228,-2.4 -5,-0.2 -1,-0.3 0.301 115.6-116.5 -91.6 9.6 39.6 -8.7 29.3 600 608 A G T < 5S+ 0 0 20 -3,-2.1 -3,-0.2 -230,-0.2 -2,-0.1 0.659 83.1 121.4 65.5 15.9 42.1 -11.6 29.6 601 609 A M S - 0 0 50 6,-1.3 3,-1.1 -2,-0.3 6,-0.2 -0.786 26.9-161.7-151.8 100.6 52.2 -14.6 21.9 606 614 A P T 3 S+ 0 0 119 0, 0.0 5,-0.2 0, 0.0 6,-0.1 0.736 88.6 64.4 -55.0 -31.1 54.6 -13.6 19.0 607 615 A S T 3 S+ 0 0 115 4,-0.1 5,-0.0 3,-0.1 6,-0.0 0.863 86.1 91.8 -64.4 -35.1 54.3 -17.0 17.3 608 616 A C S X S- 0 0 38 -3,-1.1 3,-1.9 1,-0.1 5,-0.1 -0.237 91.2-108.6 -63.9 148.8 50.6 -16.4 16.6 609 617 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.736 117.1 29.1 -45.4 -41.1 49.3 -14.8 13.3 610 618 A H T 3 S- 0 0 44 2,-0.4 3,-0.1 -5,-0.1 -2,-0.1 0.158 120.0 -99.4-111.5 17.7 48.3 -11.5 14.9 611 619 A G S < S+ 0 0 31 -3,-1.9 -6,-1.3 -6,-0.2 2,-0.3 0.585 95.9 86.1 78.3 12.0 50.8 -11.5 17.7 612 620 A I E -Q 604 0I 8 -8,-0.3 2,-0.6 -6,-0.1 -2,-0.4 -0.999 68.1-135.1-145.5 141.6 48.3 -12.7 20.4 613 621 A R E -Q 603 0I 89 -10,-3.3 -10,-2.8 -2,-0.3 2,-0.4 -0.872 26.0-134.0 -99.8 122.4 47.1 -16.1 21.5 614 622 A L E -Q 602 0I 20 -2,-0.6 -12,-0.3 -12,-0.2 3,-0.2 -0.616 3.4-150.4 -78.6 128.9 43.3 -16.4 22.1 615 623 A V S S+ 0 0 16 -14,-3.4 2,-0.5 -2,-0.4 -13,-0.1 0.869 97.0 32.6 -64.8 -37.9 42.1 -18.0 25.3 616 624 A I S S- 0 0 2 -15,-0.6 3,-0.4 1,-0.1 -1,-0.2 -0.983 72.4-171.3-118.9 113.1 38.9 -19.2 23.5 617 625 A E S S+ 0 0 128 -2,-0.5 2,-1.5 1,-0.2 -1,-0.1 0.840 79.0 66.9 -74.6 -34.4 39.7 -19.9 19.8 618 626 A D + 0 0 36 -166,-0.2 -1,-0.2 1,-0.1 -257,-0.1 -0.288 68.6 128.2 -82.5 50.5 36.1 -20.3 18.7 619 627 A Y >> - 0 0 1 -2,-1.5 4,-2.7 -3,-0.4 3,-0.6 -0.740 41.0-168.5-113.3 86.2 35.4 -16.6 19.4 620 628 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.4 0.806 81.1 48.1 -38.3 -63.3 33.7 -15.3 16.2 621 629 A Y H 3> S+ 0 0 3 -260,-1.6 4,-2.3 1,-0.2 5,-0.1 0.883 119.0 40.6 -50.2 -48.1 33.9 -11.5 16.9 622 630 A T H <> S+ 0 0 0 -3,-0.6 4,-2.0 -261,-0.2 5,-0.2 0.955 114.7 48.4 -68.3 -55.0 37.5 -11.6 17.9 623 631 A V H X S+ 0 0 31 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.938 120.6 38.2 -53.3 -49.7 38.8 -14.1 15.3 624 632 A D H >X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.3 3,-0.7 0.918 115.2 51.2 -69.2 -48.1 37.1 -12.1 12.5 625 633 A G H 3X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.4 -1,-0.2 0.743 101.2 62.6 -62.3 -27.7 37.7 -8.6 13.8 626 634 A L H 3X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.868 103.6 50.5 -65.0 -35.1 41.4 -9.2 14.3 627 635 A E H < S+ 0 0 0 -4,-2.5 3,-0.9 -5,-0.2 4,-0.5 0.924 113.8 45.0 -64.6 -47.4 49.3 5.7 4.3 640 648 A V H >X S+ 0 0 0 -4,-3.2 3,-2.2 1,-0.2 4,-2.0 0.962 109.4 52.3 -62.1 -55.0 51.0 7.6 7.1 641 649 A F T 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.400 99.7 69.3 -65.2 7.5 54.6 6.8 6.3 642 650 A L T <4 S+ 0 0 49 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.710 112.5 25.5 -95.4 -25.1 53.9 7.9 2.8 643 651 A Y T <4 S+ 0 0 30 -3,-2.2 2,-0.7 -4,-0.5 -2,-0.2 0.671 110.9 71.6-110.9 -25.4 53.6 11.6 3.9 644 652 A Y < - 0 0 3 -4,-2.0 -1,-0.2 1,-0.1 3,-0.1 -0.857 53.0-176.2-104.0 106.9 55.7 11.7 7.0 645 653 A K - 0 0 189 -2,-0.7 2,-0.3 1,-0.1 -1,-0.1 0.842 69.7 -6.2 -65.6 -42.3 59.5 11.5 6.4 646 654 A S S >> S- 0 0 42 36,-0.0 3,-0.7 1,-0.0 4,-0.7 -0.900 77.5 -95.9-147.1 172.7 60.6 11.5 10.0 647 655 A D H 3> S+ 0 0 45 -2,-0.3 4,-1.6 1,-0.2 3,-0.3 0.773 121.8 60.4 -67.3 -22.6 59.1 11.9 13.5 648 656 A D H 3> S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.764 94.7 60.0 -74.9 -28.9 60.2 15.6 13.4 649 657 A T H <4 S+ 0 0 29 -3,-0.7 4,-0.3 2,-0.2 -1,-0.2 0.781 107.1 49.4 -69.1 -22.9 58.0 16.2 10.3 650 658 A L H >< S+ 0 0 0 -4,-0.7 3,-1.0 -3,-0.3 -2,-0.2 0.917 110.2 47.3 -78.3 -47.2 55.1 15.1 12.5 651 659 A R H 3< S+ 0 0 94 -4,-1.6 -2,-0.2 30,-0.3 -1,-0.2 0.772 110.2 55.2 -65.1 -26.0 56.0 17.4 15.4 652 660 A E T 3< S+ 0 0 148 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.628 81.1 106.3 -81.1 -16.1 56.4 20.3 13.0 653 661 A D <> - 0 0 1 -3,-1.0 4,-2.1 -4,-0.3 5,-0.2 -0.539 49.7-172.8 -70.0 101.1 52.9 19.8 11.6 654 662 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.849 81.9 50.0 -64.1 -38.1 50.9 22.7 13.0 655 663 A E H > S+ 0 0 16 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.906 112.4 45.7 -68.9 -42.1 47.5 21.5 11.8 656 664 A L H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 115.7 47.6 -67.6 -39.2 47.9 18.0 13.2 657 665 A Q H X S+ 0 0 48 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.920 112.2 46.8 -68.5 -47.7 49.2 19.3 16.5 658 666 A A H X S+ 0 0 36 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.861 112.5 54.7 -63.0 -32.9 46.5 21.9 17.0 659 667 A C H X S+ 0 0 8 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.968 111.6 40.1 -64.2 -55.0 44.0 19.2 16.0 660 668 A W H X S+ 0 0 24 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.868 113.0 55.6 -63.8 -40.2 45.0 16.7 18.7 661 669 A K H X S+ 0 0 120 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.948 110.7 43.9 -58.0 -50.2 45.5 19.3 21.4 662 670 A E H X>S+ 0 0 24 -4,-1.9 5,-2.4 1,-0.2 4,-1.8 0.798 112.2 55.1 -65.6 -31.0 41.9 20.6 21.0 663 671 A L H <>S+ 0 0 3 -4,-1.6 5,-2.4 3,-0.2 -2,-0.2 0.960 117.1 33.9 -66.8 -52.5 40.7 17.0 20.8 664 672 A V H <5S+ 0 0 15 -4,-2.7 7,-0.3 3,-0.2 -2,-0.2 0.957 126.9 39.9 -68.1 -49.8 42.3 16.0 24.2 665 673 A E H <5S+ 0 0 88 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.689 138.6 6.6 -76.0 -22.5 41.8 19.4 25.8 666 674 A V T ><5S+ 0 0 55 -4,-1.8 3,-2.6 -5,-0.3 -3,-0.2 0.661 123.1 54.3-122.5 -62.1 38.3 20.2 24.5 667 675 A G T 3 - 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