==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 27-DEC-01 1KP2 . COMPND 2 MOLECULE: ARGININOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.T.LEMKE,P.L.HOWELL . 431 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 307 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 10.9 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 0 0 1 0 1 1 1 0 2 2 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 0 2 1 2 1 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 . 1 0 1 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 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 1 A T 0 0 151 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.7 27.1 -3.1 27.8 2 2 A T + 0 0 47 1,-0.2 150,-3.3 149,-0.1 2,-0.7 0.870 360.0 54.0 -94.6 -49.0 26.5 -0.4 30.4 3 3 A I E S-a 152 0A 80 148,-0.2 2,-0.6 150,-0.1 -1,-0.2 -0.814 76.0-149.4 -95.1 111.4 28.5 2.5 29.0 4 4 A L E -a 153 0A 35 148,-3.3 150,-0.5 -2,-0.7 147,-0.0 -0.700 5.6-164.0 -81.8 119.1 27.6 3.3 25.4 5 5 A K S S+ 0 0 54 -2,-0.6 2,-0.3 148,-0.1 154,-0.3 0.765 72.9 44.6 -74.2 -26.1 30.6 4.7 23.6 6 6 A H S S- 0 0 107 152,-0.1 -1,-0.0 153,-0.1 152,-0.0 -0.915 100.3 -85.0-124.4 150.7 28.5 6.2 20.8 7 7 A L - 0 0 22 -2,-0.3 2,-1.7 1,-0.1 -2,-0.1 -0.201 37.0-130.6 -52.4 124.8 25.3 8.2 20.6 8 8 A P > - 0 0 12 0, 0.0 3,-2.2 0, 0.0 28,-0.3 -0.596 29.1-143.9 -81.9 85.1 22.2 5.9 20.6 9 9 A V T 3 S+ 0 0 100 -2,-1.7 26,-0.3 1,-0.3 25,-0.1 -0.162 78.5 9.8 -50.8 135.9 20.4 7.4 17.7 10 10 A G T 3 S+ 0 0 52 24,-2.8 -1,-0.3 1,-0.2 2,-0.2 0.311 102.2 122.7 76.5 -9.8 16.6 7.4 18.0 11 11 A Q < - 0 0 96 -3,-2.2 25,-2.5 1,-0.1 2,-0.5 -0.595 69.6-112.3 -90.2 147.1 16.8 6.4 21.7 12 12 A R E -b 36 0A 106 -2,-0.2 2,-0.5 23,-0.2 111,-0.4 -0.641 38.4-169.4 -76.4 122.5 15.4 8.4 24.6 13 13 A I E -b 37 0A 0 23,-1.7 25,-3.1 -2,-0.5 2,-0.4 -0.966 14.3-142.7-121.3 128.7 18.3 9.8 26.6 14 14 A G E -bc 38 125A 0 110,-3.3 112,-2.1 -2,-0.5 2,-0.5 -0.731 16.6-164.7 -89.6 132.1 18.1 11.4 30.0 15 15 A I E -bc 39 126A 0 23,-3.0 25,-2.3 -2,-0.4 2,-1.3 -0.969 23.4-134.8-120.9 125.9 20.4 14.3 30.7 16 16 A A E -b 40 0A 17 110,-2.2 2,-0.7 -2,-0.5 112,-0.4 -0.674 37.8-158.4 -74.3 101.3 21.1 15.7 34.2 17 17 A F + 0 0 2 23,-2.2 25,-0.1 -2,-1.3 42,-0.1 -0.790 30.6 168.7 -97.3 109.2 20.7 19.3 32.9 18 18 A S - 0 0 81 -2,-0.7 -1,-0.2 23,-0.1 3,-0.1 0.737 50.3-119.4 -86.8 -25.8 22.4 22.0 34.9 19 19 A G + 0 0 4 1,-0.3 -2,-0.1 36,-0.1 22,-0.0 0.290 69.5 129.2 103.5 -9.0 21.9 24.7 32.3 20 20 A G S > S- 0 0 34 1,-0.1 4,-1.7 4,-0.0 -1,-0.3 -0.059 76.6 -94.6 -69.3 179.2 25.6 25.5 31.8 21 21 A L H > S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.915 119.2 58.2 -61.4 -46.9 27.3 25.6 28.4 22 22 A D H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 113.3 35.2 -52.6 -53.2 28.4 22.0 28.6 23 23 A T H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.806 116.1 56.2 -76.5 -25.6 25.0 20.4 29.0 24 24 A S H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.948 111.9 41.9 -68.1 -47.4 23.3 23.0 26.8 25 25 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.881 114.7 51.4 -66.3 -38.4 25.6 22.2 23.8 26 26 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 -1,-0.2 0.895 109.7 49.7 -66.4 -39.1 25.5 18.5 24.4 27 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.955 112.8 46.0 -64.0 -50.3 21.7 18.5 24.5 28 28 A L H X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.923 115.0 48.8 -58.3 -44.8 21.5 20.5 21.2 29 29 A W H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.925 108.9 51.2 -61.7 -49.0 24.1 18.2 19.7 30 30 A M H <>S+ 0 0 0 -4,-3.0 5,-2.8 2,-0.2 -1,-0.2 0.847 113.7 45.4 -59.6 -35.3 22.4 14.9 20.8 31 31 A R H ><5S+ 0 0 79 -4,-2.0 3,-1.9 31,-0.2 -2,-0.2 0.944 112.4 50.8 -71.9 -48.1 19.1 16.2 19.3 32 32 A Q H 3<5S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.863 109.9 51.5 -56.6 -37.7 20.9 17.3 16.1 33 33 A K T 3<5S- 0 0 92 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.369 128.1 -90.8 -84.2 4.6 22.6 13.9 15.7 34 34 A G T < 5S+ 0 0 33 -3,-1.9 -24,-2.8 1,-0.3 -3,-0.2 0.456 83.2 122.1 108.0 -3.3 19.3 11.9 16.1 35 35 A A < - 0 0 1 -5,-2.8 -1,-0.3 -26,-0.3 -23,-0.2 -0.464 59.0-127.6 -89.1 166.9 18.8 11.1 19.7 36 36 A V E -b 12 0A 30 -25,-2.5 -23,-1.7 -28,-0.3 2,-0.2 -0.763 31.8-164.2-116.2 84.1 15.7 12.0 21.7 37 37 A P E -b 13 0A 0 0, 0.0 28,-3.4 0, 0.0 29,-0.5 -0.418 10.0-163.5 -75.2 140.6 17.0 13.9 24.9 38 38 A Y E -b 14 0A 31 -25,-3.1 -23,-3.0 26,-0.2 2,-0.4 -0.976 16.3-139.2-119.1 134.1 15.0 14.5 28.0 39 39 A A E -bd 15 67A 0 27,-2.5 29,-2.6 -2,-0.4 2,-0.4 -0.771 17.6-176.4-101.5 139.1 16.2 17.1 30.5 40 40 A Y E -bd 16 68A 2 -25,-2.3 -23,-2.2 -2,-0.4 2,-0.5 -0.982 4.5-169.7-134.5 121.1 16.1 16.8 34.3 41 41 A T E - d 0 69A 4 27,-2.7 29,-3.8 -2,-0.4 2,-0.5 -0.932 13.6-142.7-114.1 131.0 17.2 19.7 36.5 42 42 A A E - d 0 70A 14 -2,-0.5 2,-0.9 27,-0.2 29,-0.2 -0.802 6.0-143.8 -95.0 128.2 17.7 19.2 40.2 43 43 A N E + d 0 71A 22 27,-3.1 29,-2.4 -2,-0.5 30,-0.5 -0.832 32.8 161.9 -87.7 109.4 16.7 22.1 42.5 44 44 A L - 0 0 20 -2,-0.9 149,-2.9 28,-0.1 150,-0.2 0.236 60.7-105.4-112.4 10.1 19.4 21.7 45.2 45 45 A G - 0 0 18 147,-0.2 147,-0.1 1,-0.2 -2,-0.1 0.876 45.9-164.8 66.9 36.5 19.0 25.2 46.7 46 46 A Q > - 0 0 61 1,-0.2 3,-1.6 145,-0.1 -1,-0.2 -0.344 17.4-136.4 -53.4 126.7 22.2 26.3 44.9 47 47 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.2 0, 0.0 146,-0.0 0.866 100.9 46.8 -59.1 -35.7 23.1 29.6 46.7 48 48 A D T 3 S+ 0 0 89 2,-0.0 2,-0.5 144,-0.0 -2,-0.1 0.068 92.7 96.4 -95.2 26.7 24.0 31.5 43.5 49 49 A E < + 0 0 55 -3,-1.6 3,-0.2 1,-0.1 -4,-0.0 -0.959 35.7 163.1-118.7 116.0 20.8 30.3 41.7 50 50 A E S S+ 0 0 195 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.533 72.1 40.9-107.4 -9.7 17.9 32.7 41.6 51 51 A D >> + 0 0 86 1,-0.1 3,-1.0 2,-0.0 4,-0.5 -0.491 50.4 157.4-141.9 73.4 15.8 31.2 38.7 52 52 A Y T >4 S+ 0 0 27 1,-0.2 3,-1.0 -3,-0.2 -1,-0.1 0.803 74.5 68.4 -62.3 -29.9 15.7 27.4 38.6 53 53 A D T 3> S+ 0 0 91 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.786 92.4 57.4 -62.3 -29.1 12.4 27.7 36.5 54 54 A A H <> S+ 0 0 31 -3,-1.0 4,-2.0 1,-0.2 -1,-0.2 0.725 92.0 72.8 -75.7 -21.2 14.2 29.1 33.5 55 55 A I H S+ 0 0 15 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.867 110.6 57.8 -61.6 -29.8 14.1 23.6 31.9 57 57 A R H X S+ 0 0 166 -4,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.922 105.1 48.4 -64.4 -43.3 12.9 26.3 29.5 58 58 A R H X S+ 0 0 96 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.858 108.8 54.8 -64.3 -34.4 16.3 26.6 28.0 59 59 A A H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 4,-0.4 0.926 109.2 47.1 -63.1 -44.0 16.5 22.8 27.7 60 60 A M H ><5S+ 0 0 94 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.926 110.5 52.9 -62.2 -43.7 13.3 22.9 25.7 61 61 A E H 3<5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.846 109.0 50.3 -61.2 -33.7 14.7 25.7 23.6 62 62 A Y T 3<5S- 0 0 16 -4,-1.9 -1,-0.3 -5,-0.2 -31,-0.2 0.406 134.0 -78.8 -87.2 2.0 17.8 23.7 22.9 63 63 A G T < 5S+ 0 0 18 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.493 71.2 155.4 120.1 0.8 15.9 20.5 21.8 64 64 A A < - 0 0 9 -5,-2.8 -1,-0.3 1,-0.2 -26,-0.2 -0.383 39.6-143.9 -63.4 136.9 14.8 18.7 24.9 65 65 A E S S- 0 0 93 -28,-3.4 2,-0.3 1,-0.3 -27,-0.2 0.900 86.9 -14.1 -65.7 -41.3 11.7 16.4 24.2 66 66 A N - 0 0 75 -29,-0.5 -27,-2.5 2,-0.0 2,-0.4 -0.953 69.8-153.2-155.3 155.0 10.5 17.4 27.7 67 67 A A E -d 39 0A 16 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.999 10.9-170.0-139.4 134.0 12.3 19.1 30.6 68 68 A R E -d 40 0A 66 -29,-2.6 -27,-2.7 -2,-0.4 2,-0.6 -0.913 19.2-141.9-127.2 153.2 11.5 18.7 34.3 69 69 A L E -d 41 0A 56 -2,-0.3 2,-0.6 -29,-0.2 -27,-0.2 -0.966 20.3-162.3-110.4 115.6 12.6 20.5 37.4 70 70 A I E -d 42 0A 21 -29,-3.8 -27,-3.1 -2,-0.6 2,-0.5 -0.901 13.4-138.6-102.9 119.9 13.0 18.0 40.3 71 71 A D E +d 43 0A 75 -2,-0.6 4,-0.1 -29,-0.2 -27,-0.1 -0.665 32.3 163.7 -79.1 121.6 13.0 19.5 43.7 72 72 A C > + 0 0 0 -29,-2.4 4,-2.7 -2,-0.5 5,-0.2 0.291 42.6 102.9-119.5 5.1 15.7 17.7 45.8 73 73 A R H > S+ 0 0 76 -30,-0.5 4,-2.9 1,-0.2 5,-0.2 0.902 80.0 50.4 -58.5 -44.7 16.1 20.2 48.7 74 74 A K H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 115.3 42.3 -60.6 -48.0 14.1 18.2 51.2 75 75 A Q H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 113.5 54.0 -66.5 -40.3 16.0 15.0 50.6 76 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.942 111.6 43.5 -58.4 -50.1 19.3 16.9 50.4 77 77 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.876 110.8 55.6 -66.3 -34.9 18.7 18.5 53.8 78 78 A A H X S+ 0 0 44 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.935 112.2 42.6 -62.5 -44.0 17.5 15.2 55.3 79 79 A E H X S+ 0 0 30 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.886 112.2 53.7 -71.2 -35.8 20.8 13.5 54.2 80 80 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.904 109.5 48.4 -63.2 -41.3 22.9 16.4 55.4 81 81 A I H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.901 109.3 52.7 -66.7 -38.9 21.3 16.3 58.8 82 82 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.925 108.0 51.8 -61.1 -40.8 21.9 12.5 58.9 83 83 A A H X>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.9 0.911 109.3 49.6 -62.3 -41.5 25.6 13.2 58.1 84 84 A I H ><5S+ 0 0 2 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.950 109.9 50.8 -60.6 -48.7 25.7 15.7 61.0 85 85 A Q H 3<5S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 118.2 39.3 -59.1 -31.1 24.1 13.1 63.3 86 86 A C H 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.450 101.4-127.3 -99.0 -1.2 26.7 10.6 62.2 87 87 A G T <<5 + 0 0 8 -3,-1.1 2,-2.3 -4,-0.9 237,-0.2 0.905 42.2 175.9 53.9 39.8 29.8 12.9 62.0 88 88 A A < + 0 0 0 -5,-2.2 2,-0.4 -6,-0.2 -1,-0.2 -0.281 33.9 112.6 -76.9 56.4 30.1 11.4 58.5 89 89 A F + 0 0 11 -2,-2.3 235,-0.2 -3,-0.1 236,-0.1 -0.992 30.7 164.9-131.8 133.4 33.0 13.6 57.5 90 90 A H + 0 0 21 -2,-0.4 2,-1.3 8,-0.3 -1,-0.1 0.643 51.0 86.7-125.2 -21.5 36.6 12.4 56.9 91 91 A N + 0 0 15 7,-0.4 7,-2.0 233,-0.1 2,-0.3 -0.699 59.4 154.6 -87.3 95.1 38.7 15.0 55.1 92 92 A T E -F 97 0B 62 -2,-1.3 2,-0.4 5,-0.2 5,-0.2 -0.915 27.1-174.1-125.1 149.4 40.1 17.1 58.0 93 93 A T E > S-F 96 0B 77 3,-2.3 3,-2.3 -2,-0.3 180,-0.1 -0.959 79.0 -19.9-142.5 117.0 43.2 19.2 58.5 94 94 A G T 3 S- 0 0 87 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.884 128.7 -50.7 51.9 37.9 44.0 20.6 61.9 95 95 A G T 3 S+ 0 0 65 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.516 110.7 123.0 81.5 -1.1 40.4 20.2 63.0 96 96 A L E < -F 93 0B 64 -3,-2.3 -3,-2.3 177,-0.1 2,-0.3 -0.865 47.9-155.2 -97.7 133.5 38.9 21.9 60.0 97 97 A T E -F 92 0B 18 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.2 -0.836 23.2-139.2-118.2 144.5 36.5 19.7 58.0 98 98 A Y - 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0 0 137 4,-0.0 3,-0.0 3,-0.0 0, 0.0 -0.975 360.0-125.5-151.6 156.3 33.2 7.5 96.6 386 396 A S > - 0 0 42 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.485 29.3-104.2-104.0 171.8 35.8 7.7 99.4 387 397 A P H > S+ 0 0 102 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.910 124.0 52.7 -58.7 -40.7 39.6 7.9 99.6 388 398 A D H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.816 104.7 54.3 -65.4 -32.2 39.5 4.3 100.7 389 399 A D H > S+ 0 0 94 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 111.1 45.9 -67.5 -40.5 37.5 3.3 97.6 390 400 A R H X S+ 0 0 127 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.885 107.8 56.8 -68.8 -39.7 40.1 5.0 95.4 391 401 A I H X S+ 0 0 96 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.920 109.7 45.5 -58.1 -43.9 43.0 3.3 97.3 392 402 A G H X S+ 0 0 35 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.928 112.6 50.5 -65.0 -44.0 41.5 -0.1 96.5 393 403 A Q H < S+ 0 0 63 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.898 111.8 48.0 -61.2 -41.0 40.9 0.8 92.9 394 404 A L H >< S+ 0 0 92 -4,-3.0 3,-1.5 1,-0.2 4,-0.3 0.908 109.1 53.7 -66.0 -40.9 44.4 2.0 92.5 395 405 A T H >< S+ 0 0 72 -4,-2.3 3,-1.8 1,-0.3 4,-0.3 0.855 96.3 65.9 -62.8 -35.3 45.8 -1.1 94.1 396 406 A M T 3< S+ 0 0 135 -4,-2.0 4,-0.3 1,-0.3 3,-0.3 0.605 92.6 66.3 -63.1 -10.0 43.8 -3.3 91.7 397 407 A R T <> S+ 0 0 149 -3,-1.5 4,-2.2 -4,-0.3 3,-0.3 0.665 75.5 86.0 -83.6 -20.5 46.1 -1.9 89.0 398 408 A N H <> S+ 0 0 87 -3,-1.8 4,-2.6 -4,-0.3 5,-0.2 0.812 81.9 58.9 -51.3 -38.3 49.3 -3.5 90.3 399 409 A L H > S+ 0 0 110 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.958 112.9 37.9 -59.0 -52.3 48.8 -6.8 88.5 400 410 A D H > S+ 0 0 107 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.820 113.3 56.2 -71.2 -31.2 48.8 -5.1 85.1 401 411 A I H X S+ 0 0 84 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.920 107.6 49.8 -66.6 -41.3 51.5 -2.6 86.0 402 412 A T H X S+ 0 0 48 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.932 110.3 50.1 -61.9 -44.5 53.8 -5.5 86.9 403 413 A D H X S+ 0 0 82 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.927 111.9 48.4 -60.6 -42.6 53.1 -7.1 83.6 404 414 A T H X S+ 0 0 68 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.912 108.2 53.3 -65.3 -39.7 53.9 -3.9 81.8 405 415 A R H X S+ 0 0 145 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.906 108.5 50.9 -61.2 -39.5 57.1 -3.4 83.7 406 416 A E H X S+ 0 0 104 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.881 108.2 52.9 -65.7 -36.2 58.1 -6.9 82.6 407 417 A K H X S+ 0 0 113 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.918 106.3 52.0 -65.2 -42.2 57.3 -6.0 79.0 408 418 A L H X S+ 0 0 69 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.894 109.6 50.2 -60.4 -39.6 59.5 -2.9 79.2 409 419 A F H X S+ 0 0 153 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.945 111.7 48.5 -62.1 -48.2 62.4 -5.1 80.5 410 420 A G H X S+ 0 0 27 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.831 111.7 48.9 -61.2 -35.3 61.7 -7.5 77.6 411 421 A Y H <>S+ 0 0 109 -4,-2.5 5,-2.5 2,-0.2 6,-1.1 0.854 111.0 49.4 -73.5 -36.6 61.7 -4.6 75.0 412 422 A A H ><5S+ 0 0 23 -4,-2.2 3,-1.9 4,-0.2 7,-0.2 0.945 109.9 53.2 -65.9 -44.9 64.9 -3.2 76.4 413 423 A K H 3<5S+ 0 0 172 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.900 112.0 43.7 -55.9 -43.6 66.4 -6.7 76.2 414 424 A T T 3<5S- 0 0 99 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.276 119.7-109.1 -88.3 13.0 65.4 -7.0 72.5 415 425 A G T < 5S+ 0 0 46 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.543 88.0 114.6 76.7 9.3 66.6 -3.4 71.7 416 426 A L S - 0 0 40 -2,-0.6 2,-2.3 -3,-0.2 3,-0.9 -0.771 28.1-175.7-131.5 89.8 68.6 5.6 79.8 422 432 A A T 3 S+ 0 0 119 -2,-0.4 -2,-0.0 1,-0.2 -1,-0.0 -0.232 75.2 73.2 -77.7 51.5 69.8 7.6 82.8 423 433 A S T 3 S- 0 0 84 -2,-2.3 -1,-0.2 2,-0.1 -2,-0.0 0.607 93.2-127.4-129.4 -43.3 66.5 9.5 82.7 424 434 A G S < S+ 0 0 68 -3,-0.9 -2,-0.1 1,-0.3 -3,-0.0 -0.024 79.8 109.9 106.9 -25.4 63.7 7.2 83.9 425 435 A V S S- 0 0 86 1,-0.0 -1,-0.3 2,-0.0 -2,-0.1 -0.736 78.1-120.1 -85.3 114.8 61.8 8.0 80.7 426 436 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 -7,-0.1 -0.278 25.8-141.0 -54.3 135.9 61.7 4.9 78.5 427 437 A Q - 0 0 70 -9,-0.3 -9,-2.2 6,-0.1 2,-0.3 -0.893 5.0-144.0-109.5 110.9 63.4 5.7 75.2 428 438 A V B -N 417 0E 73 -2,-0.6 2,-1.3 -11,-0.2 -11,-0.2 -0.548 19.8-127.9 -73.1 129.3 61.8 4.1 72.1 429 439 A E + 0 0 107 -13,-3.1 2,-0.3 -2,-0.3 -1,-0.1 -0.637 62.7 106.8 -85.6 87.5 64.5 3.2 69.6 430 440 A N S > S- 0 0 76 -2,-1.3 3,-2.2 0, 0.0 -2,-0.0 -0.955 82.8 -89.2-151.6 163.1 63.6 4.7 66.2 431 441 A L T 3 S+ 0 0 156 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 0.695 119.8 59.0 -45.9 -30.7 64.8 7.6 64.1 432 442 A E T 3 0 0 152 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.695 360.0 360.0 -78.3 -18.8 62.6 10.1 65.8 433 443 A N < 0 0 123 -3,-2.2 -4,-0.1 -5,-0.2 -6,-0.1 -0.115 360.0 360.0-109.8 360.0 63.8 9.7 69.3