==== 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 TRANSFERASE 01-SEP-09 3IVT . COMPND 2 MOLECULE: HOMOCITRATE SYNTHASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR S.L.BULFER,E.M.SCOTT,J-F.COUTURE,L.PILLUS,R.C.TRIEVEL . 798 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28608.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.3 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 0.3 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 . 43 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 3 0 0 3 8 3 0 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 6 3 3 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 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 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 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 3 A V 0 0 143 0, 0.0 541,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.1 -9.0 63.7 -32.9 2 4 A S - 0 0 40 539,-0.2 2,-0.2 540,-0.1 539,-0.1 -0.923 360.0-173.9-141.0 160.3 -12.7 64.6 -32.5 3 5 A E - 0 0 48 537,-0.4 537,-0.1 -2,-0.3 2,-0.1 -0.755 52.2 -70.8-140.6-173.9 -16.0 65.4 -34.4 4 6 A A S S+ 0 0 95 -2,-0.2 2,-0.3 1,-0.2 -2,-0.0 0.080 99.3 95.0 -84.0 24.8 -19.5 66.5 -33.5 5 7 A N + 0 0 42 535,-0.2 535,-0.7 -2,-0.1 2,-0.2 -0.528 62.8 100.2-103.9 61.8 -20.8 63.4 -31.7 6 8 A G E -A 539 0A 1 -2,-0.3 2,-0.3 533,-0.2 533,-0.2 -0.600 60.0-140.2-117.2-169.7 -19.9 64.5 -28.2 7 9 A T E -A 538 0A 15 531,-2.1 531,-2.9 -2,-0.2 2,-0.3 -0.940 31.1 -81.1-146.1 161.2 -22.2 66.0 -25.6 8 10 A E E -A 537 0A 48 -2,-0.3 529,-0.3 529,-0.2 2,-0.1 -0.579 59.1-105.6 -63.0 130.1 -22.2 68.8 -23.0 9 11 A T - 0 0 17 527,-3.0 2,-0.9 -2,-0.3 527,-0.1 -0.343 27.0-124.6 -55.9 133.4 -20.4 67.5 -19.9 10 12 A I + 0 0 54 561,-0.4 565,-0.2 560,-0.1 564,-0.1 -0.777 38.6 173.6 -85.7 109.0 -22.7 66.6 -16.9 11 13 A K - 0 0 64 -2,-0.9 525,-0.0 525,-0.1 0, 0.0 -0.823 34.1-113.9-109.2 151.1 -21.4 68.6 -14.0 12 14 A P 0 0 70 0, 0.0 -1,-0.0 0, 0.0 559,-0.0 -0.467 360.0 360.0 -77.1 165.9 -23.2 68.7 -10.6 13 15 A P 0 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.097 360.0 360.0 -50.6 360.0 -24.6 72.2 -9.7 14 ! 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 15 20 A P 0 0 176 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.2 -19.2 73.0 -1.6 16 21 A Y + 0 0 197 3,-0.0 3,-0.0 0, 0.0 0, 0.0 -0.827 360.0 134.3-115.6 145.1 -19.2 69.4 -0.5 17 22 A G - 0 0 61 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.780 56.4 -36.0-161.8-162.2 -19.1 67.9 3.0 18 23 A P - 0 0 90 0, 0.0 5,-0.0 0, 0.0 0, 0.0 -0.560 50.3-130.9 -84.6 137.8 -20.8 65.2 5.1 19 24 A N >> - 0 0 105 -2,-0.3 3,-1.1 1,-0.1 4,-0.7 -0.523 29.6-109.6 -72.1 148.7 -24.5 64.5 4.9 20 25 A P G >4 S+ 0 0 106 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.839 116.6 62.5 -47.9 -39.0 -26.5 64.4 8.2 21 26 A S G >> S+ 0 0 36 1,-0.3 3,-2.0 2,-0.2 4,-0.5 0.848 91.6 63.8 -51.8 -45.3 -26.9 60.5 7.7 22 27 A D G X4 S+ 0 0 89 -3,-1.1 3,-1.1 1,-0.3 -1,-0.3 0.794 91.2 66.8 -56.6 -29.1 -23.2 60.0 7.8 23 28 A F G << S+ 0 0 155 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.765 100.6 48.4 -64.0 -23.8 -23.2 61.2 11.4 24 29 A L G <4 S+ 0 0 69 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.566 87.1 115.4 -90.9 -11.0 -25.2 58.2 12.5 25 30 A S << - 0 0 31 -3,-1.1 211,-0.2 -4,-0.5 3,-0.2 -0.347 44.7-170.0 -65.5 137.9 -22.9 55.8 10.7 26 31 A R > + 0 0 70 209,-3.4 3,-1.9 213,-0.1 210,-0.2 0.122 46.9 122.4-109.5 20.5 -21.0 53.3 12.8 27 32 A V T 3 S+ 0 0 19 208,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.761 85.4 29.8 -58.3 -28.7 -18.7 51.9 10.0 28 33 A N T 3 S+ 0 0 78 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.020 123.5 49.6-118.1 33.7 -15.4 52.8 11.8 29 34 A N S < S+ 0 0 87 -3,-1.9 2,-0.3 206,-0.0 -1,-0.2 -0.452 78.7 107.4-168.1 79.0 -16.7 52.5 15.3 30 35 A F - 0 0 3 -3,-0.2 2,-0.4 -2,-0.0 211,-0.2 -0.942 53.6-116.1-154.5 171.6 -18.6 49.3 16.2 31 36 A S E -c 241 0B 25 209,-2.4 211,-2.3 -2,-0.3 2,-0.5 -0.917 15.0-137.6-121.9 137.9 -18.2 46.0 18.1 32 37 A I E -c 242 0B 0 -2,-0.4 35,-1.3 209,-0.2 2,-0.6 -0.804 6.4-158.6 -88.4 134.1 -18.1 42.4 17.0 33 38 A I E -cd 243 67B 0 209,-2.4 211,-2.0 -2,-0.5 2,-0.5 -0.970 20.8-147.9-104.1 106.9 -20.1 40.0 19.0 34 39 A E E +cd 244 68B 0 33,-3.0 35,-2.6 -2,-0.6 3,-0.3 -0.704 20.8 179.2 -89.0 124.2 -18.3 36.8 18.0 35 40 A S >>> + 0 0 0 209,-3.2 5,-2.2 -2,-0.5 3,-1.8 0.023 41.8 118.4-120.8 21.5 -20.7 33.8 18.0 36 41 A T T 345S+ 0 0 0 1,-0.3 -1,-0.2 3,-0.2 209,-0.1 0.868 83.8 50.8 -56.8 -33.9 -18.6 30.9 16.9 37 42 A L T 345S+ 0 0 3 32,-0.4 34,-1.4 -3,-0.3 -1,-0.3 0.346 124.3 24.3 -94.6 6.5 -19.4 29.4 20.3 38 43 A R T X45S+ 0 0 12 -3,-1.8 3,-1.2 32,-0.3 4,-0.5 0.456 133.6 26.0-120.1 -75.0 -23.1 29.9 20.0 39 44 A E G ><5S+ 0 0 4 -4,-0.6 3,-1.8 1,-0.3 4,-0.3 0.883 119.4 62.1 -55.5 -38.1 -24.5 30.1 16.5 40 45 A G G > - 0 0 99 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.485 37.2 -93.9 -89.3 173.0 -15.7 19.9 23.6 50 55 A T H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 124.3 50.8 -53.0 -51.0 -14.6 22.1 26.6 51 56 A E H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 112.8 47.6 -53.6 -45.0 -10.9 22.2 25.7 52 57 A K H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.866 110.2 50.8 -70.1 -37.7 -11.8 23.2 22.2 53 58 A K H X S+ 0 0 16 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.902 109.9 52.0 -61.8 -40.9 -14.2 25.9 23.3 54 59 A I H X S+ 0 0 34 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.920 109.9 47.5 -63.4 -45.4 -11.5 27.2 25.6 55 60 A Q H X S+ 0 0 72 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.899 112.9 49.1 -59.3 -46.0 -8.9 27.5 22.8 56 61 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 113.5 46.5 -63.6 -44.2 -11.4 29.2 20.5 57 62 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.945 112.5 49.7 -60.8 -48.6 -12.3 31.7 23.3 58 63 A K H X S+ 0 0 120 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.914 113.8 46.0 -57.4 -42.6 -8.7 32.4 24.1 59 64 A A H X S+ 0 0 30 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.840 111.3 51.3 -73.8 -34.4 -7.8 32.9 20.5 60 65 A L H X>S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 5,-1.4 0.923 109.9 50.6 -64.8 -44.2 -10.9 35.2 19.9 61 66 A D H <5S+ 0 0 38 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.945 113.0 44.9 -56.9 -49.8 -9.9 37.3 22.9 62 67 A N H <5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.848 105.7 62.6 -63.0 -35.9 -6.3 37.7 21.6 63 68 A F H <5S- 0 0 0 -4,-2.0 215,-2.6 -5,-0.2 -1,-0.2 0.866 119.1-109.1 -60.5 -38.3 -7.6 38.4 18.1 64 69 A G T <5 + 0 0 22 -4,-1.7 -3,-0.2 -3,-0.4 -2,-0.1 0.474 60.5 151.8 128.7 5.0 -9.3 41.5 19.5 65 70 A V < - 0 0 4 -5,-1.4 -1,-0.2 1,-0.1 -32,-0.1 -0.289 39.8-141.9 -67.5 150.7 -13.1 41.0 19.5 66 71 A D S S+ 0 0 54 -34,-0.6 28,-2.7 1,-0.2 2,-0.3 0.797 79.3 20.8 -84.7 -29.2 -15.1 42.9 22.2 67 72 A Y E -de 33 94B 21 -35,-1.3 -33,-3.0 26,-0.2 2,-0.4 -0.994 55.7-161.3-140.5 145.8 -17.6 40.1 23.0 68 73 A I E -de 34 95B 1 26,-1.9 28,-2.8 -2,-0.3 2,-0.4 -0.990 17.9-146.7-121.3 135.5 -18.0 36.4 22.6 69 74 A E E - e 0 96B 0 -35,-2.6 -32,-0.4 -2,-0.4 2,-0.3 -0.866 13.6-161.9-104.0 133.9 -21.4 34.8 22.8 70 75 A L E - e 0 97B 8 26,-2.5 28,-2.3 -2,-0.4 -32,-0.3 -0.866 28.9 -91.4-113.9 151.7 -21.9 31.3 24.4 71 76 A T - 0 0 12 -34,-1.4 28,-0.1 -2,-0.3 12,-0.1 -0.214 62.9 -79.9 -47.4 140.2 -24.7 28.7 24.2 72 77 A S > - 0 0 20 26,-0.4 3,-1.5 1,-0.2 4,-0.4 -0.123 34.3-134.4 -45.8 132.6 -27.3 29.1 26.9 73 78 A P T 3 S+ 0 0 2 0, 0.0 7,-0.5 0, 0.0 3,-0.3 0.650 104.7 58.2 -73.8 -9.4 -26.1 27.5 30.1 74 79 A V T 3 S+ 0 0 55 1,-0.2 3,-0.1 5,-0.1 -2,-0.1 0.438 80.1 87.9 -93.5 1.8 -29.5 25.8 30.5 75 80 A A S < S- 0 0 34 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.876 110.1 -24.3 -61.9 -36.1 -29.2 24.0 27.1 76 81 A S > - 0 0 36 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.3 -0.963 62.6-103.6-170.4 156.3 -27.3 21.2 28.9 77 82 A E H > S+ 0 0 124 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.911 122.6 52.4 -56.3 -44.8 -25.3 20.5 32.0 78 83 A Q H > S+ 0 0 99 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 107.7 52.8 -55.4 -43.4 -22.1 20.4 29.9 79 84 A S H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 108.1 50.2 -60.8 -46.3 -23.1 23.8 28.5 80 85 A R H X S+ 0 0 64 -4,-2.4 4,-2.1 -7,-0.5 -1,-0.2 0.916 112.4 47.2 -55.9 -45.5 -23.5 25.2 32.0 81 86 A Q H X S+ 0 0 104 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.915 110.9 50.8 -66.8 -39.8 -20.1 23.9 33.0 82 87 A D H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.865 108.2 52.5 -65.5 -37.8 -18.4 25.3 29.8 83 88 A C H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.956 111.2 46.8 -62.8 -51.2 -19.9 28.7 30.4 84 89 A E H X S+ 0 0 66 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.925 112.5 51.1 -51.4 -48.7 -18.6 28.8 34.0 85 90 A A H >< S+ 0 0 35 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.948 111.4 45.9 -59.2 -50.5 -15.2 27.6 32.8 86 91 A I H >< S+ 0 0 2 -4,-2.7 3,-1.3 1,-0.3 5,-0.4 0.864 107.7 56.9 -65.3 -38.1 -14.9 30.3 30.1 87 92 A C H 3< S+ 0 0 30 -4,-2.5 3,-0.3 1,-0.2 -1,-0.3 0.620 105.9 54.1 -63.9 -13.9 -16.1 33.1 32.4 88 93 A K T << S+ 0 0 178 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.404 82.2 84.4-100.8 -0.7 -13.1 32.1 34.7 89 94 A L S < S- 0 0 60 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.528 96.8-122.6 -80.1 -5.7 -10.3 32.4 32.2 90 95 A G - 0 0 70 -3,-0.3 -3,-0.1 -4,-0.2 -2,-0.1 0.857 42.2-179.4 65.6 38.7 -10.0 36.1 32.8 91 96 A L - 0 0 29 -5,-0.4 -1,-0.1 1,-0.1 4,-0.1 -0.243 30.1-136.7 -62.0 156.1 -10.5 37.2 29.1 92 97 A K S S+ 0 0 96 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.858 83.9 77.2 -81.7 -38.0 -10.4 40.9 28.3 93 98 A C S S- 0 0 11 1,-0.1 -26,-0.2 -28,-0.1 -27,-0.1 -0.322 93.8-100.8 -70.9 155.7 -13.4 40.8 26.1 94 99 A K E -e 67 0B 81 -28,-2.7 -26,-1.9 21,-0.1 2,-0.6 -0.456 31.0-134.3 -76.0 148.1 -16.9 40.6 27.6 95 100 A I E -e 68 0B 8 -28,-0.2 20,-3.2 18,-0.1 21,-1.2 -0.926 23.7-177.8-114.5 120.5 -18.7 37.3 27.8 96 101 A L E -ef 69 116B 1 -28,-2.8 -26,-2.5 -2,-0.6 2,-0.4 -0.750 11.9-153.4-108.7 155.1 -22.4 37.0 26.8 97 102 A T E -ef 70 117B 0 19,-1.6 21,-3.2 -2,-0.3 2,-0.6 -0.978 16.6-129.1-128.4 149.7 -24.7 34.1 26.8 98 103 A H E + f 0 118B 16 -28,-2.3 -26,-0.4 -2,-0.4 2,-0.3 -0.842 39.0 165.3-101.2 121.3 -27.7 33.6 24.6 99 104 A I E - f 0 119B 2 19,-2.5 21,-2.1 -2,-0.6 2,-0.1 -0.957 38.7-112.2-139.3 153.4 -31.0 32.7 26.4 100 105 A R E - f 0 120B 85 -2,-0.3 2,-1.9 19,-0.2 21,-0.2 -0.373 53.3 -93.0 -70.4 160.5 -34.8 32.5 26.1 101 106 A C S S+ 0 0 3 19,-1.2 2,-0.3 -2,-0.1 21,-0.1 -0.509 81.2 121.8 -84.1 75.7 -36.7 35.0 28.2 102 107 A H > - 0 0 93 -2,-1.9 4,-1.9 1,-0.1 5,-0.2 -0.996 65.9-127.1-136.9 143.7 -37.3 33.0 31.4 103 108 A M H > S+ 0 0 34 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.883 109.6 51.3 -52.9 -46.1 -36.4 33.6 35.0 104 109 A D H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.939 108.4 51.1 -63.3 -45.3 -34.7 30.3 35.5 105 110 A D H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 112.4 48.4 -53.7 -38.6 -32.5 30.8 32.4 106 111 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.931 107.6 52.3 -74.4 -44.8 -31.4 34.2 33.7 107 112 A R H X S+ 0 0 115 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.922 112.8 46.1 -52.4 -48.0 -30.6 33.1 37.2 108 113 A V H X S+ 0 0 7 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.898 110.6 53.1 -66.4 -42.2 -28.3 30.4 35.8 109 114 A A H X>S+ 0 0 0 -4,-1.9 5,-1.3 -5,-0.2 4,-0.7 0.928 111.6 45.4 -54.6 -49.9 -26.7 32.8 33.4 110 115 A V H ><5S+ 0 0 32 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.915 110.3 54.9 -64.6 -44.4 -25.9 35.2 36.2 111 116 A E H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.903 101.1 58.5 -53.7 -42.8 -24.6 32.4 38.4 112 117 A T H 3<5S- 0 0 10 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.713 117.3-111.0 -65.3 -21.5 -22.1 31.2 35.7 113 118 A G T <<5 + 0 0 41 -3,-1.0 -3,-0.2 -4,-0.7 -18,-0.1 0.567 54.8 165.5 104.5 12.3 -20.5 34.6 35.7 114 119 A V < - 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0 0 43 -4,-2.1 4,-2.0 1,-0.1 5,-0.2 -0.613 64.0-178.3-155.2 89.8 -11.1 52.3 7.2 270 275 A R H > S+ 0 0 106 -3,-0.4 4,-2.9 1,-0.2 5,-0.3 0.897 82.7 48.4 -54.3 -51.0 -7.8 50.6 7.1 271 276 A E H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.923 111.1 52.7 -60.5 -44.5 -6.1 52.2 10.3 272 277 A Y H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.960 116.6 35.5 -54.8 -59.3 -9.2 51.5 12.3 273 278 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 -8,-0.2 -2,-0.2 0.903 115.5 53.5 -64.9 -46.1 -9.4 47.8 11.5 274 279 A T H < S+ 0 0 34 -4,-2.9 5,-0.3 -5,-0.2 -1,-0.2 0.802 114.7 42.4 -63.5 -28.6 -5.6 47.0 11.4 275 280 A H H < S+ 0 0 149 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.835 115.1 47.5 -87.0 -31.7 -5.1 48.6 14.8 276 281 A K H < S+ 0 0 63 -4,-1.9 2,-0.3 -5,-0.3 -2,-0.2 0.835 114.8 41.1 -75.5 -35.3 -8.1 47.1 16.6 277 282 A Y S < S- 0 0 5 -4,-2.0 2,-1.5 -5,-0.1 -213,-0.2 -0.831 78.1-123.9-119.8 147.0 -7.7 43.5 15.4 278 283 A K > + 0 0 83 -215,-2.6 3,-1.8 -2,-0.3 4,-0.1 -0.686 35.0 179.0 -89.7 80.8 -4.6 41.2 15.0 279 284 A L G > S+ 0 0 4 -2,-1.5 3,-2.1 -5,-0.3 4,-0.3 0.802 70.9 66.8 -53.8 -38.8 -5.3 40.5 11.4 280 285 A N G 3 S+ 0 0 100 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.559 95.6 63.2 -60.4 -4.9 -2.2 38.2 10.9 281 286 A Q G <> S+ 0 0 55 -3,-1.8 4,-1.8 1,-0.1 -1,-0.3 0.515 75.8 90.2 -97.4 -2.6 -3.9 35.9 13.3 282 287 A L H <> S+ 0 0 2 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.875 83.4 50.7 -66.7 -43.1 -6.9 35.2 11.0 283 288 A R H > S+ 0 0 30 -4,-0.3 4,-3.1 52,-0.2 -1,-0.2 0.943 113.6 46.8 -55.5 -46.4 -5.5 32.1 9.2 284 289 A E H > S+ 0 0 70 -4,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.818 112.8 50.0 -72.7 -30.5 -4.6 30.5 12.4 285 290 A L H X S+ 0 0 5 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.888 113.8 44.2 -71.7 -44.8 -8.0 31.3 13.9 286 291 A E H X S+ 0 0 3 -4,-2.8 4,-3.5 2,-0.2 5,-0.2 0.933 110.5 54.7 -64.3 -47.8 -9.9 29.9 10.8 287 292 A N H X S+ 0 0 14 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.862 104.1 56.4 -54.3 -36.7 -7.7 26.8 10.7 288 293 A L H X S+ 0 0 34 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.937 113.8 38.3 -61.3 -48.8 -8.5 26.1 14.4 289 294 A V H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.944 113.3 56.7 -68.6 -44.6 -12.2 26.0 13.6 290 295 A A H <>S+ 0 0 0 -4,-3.5 5,-1.9 1,-0.3 4,-0.4 0.893 108.8 48.1 -54.3 -41.6 -11.8 24.3 10.3 291 296 A D H <5S+ 0 0 93 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.3 0.903 113.0 46.7 -64.8 -42.6 -10.0 21.5 12.1 292 297 A A H <5S+ 0 0 18 -4,-1.6 -245,-0.3 1,-0.2 -2,-0.2 0.881 120.1 36.8 -71.1 -41.3 -12.6 21.1 14.8 293 298 A V T <5S- 0 0 0 -4,-2.9 -1,-0.2 -247,-0.1 495,-0.2 0.328 109.1-126.6 -94.3 9.5 -15.6 21.1 12.4 294 299 A E T 5 + 0 0 46 -3,-0.4 494,-2.4 -4,-0.4 2,-0.3 0.911 60.3 131.4 44.8 62.6 -13.7 19.2 9.8 295 300 A V < - 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0 0 98 -2,-0.6 3,-0.9 4,-0.1 4,-0.8 -0.569 50.6 -28.5 -80.9 155.2 1.6 20.6 -9.5 349 354 A G H >> S+ 0 0 18 1,-0.2 4,-1.4 2,-0.2 3,-1.0 0.044 127.2 4.4 55.6-136.1 2.9 19.0 -6.4 350 355 A W H 3> S+ 0 0 84 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.839 124.9 64.0 -61.3 -33.5 5.7 20.6 -4.4 351 356 A N H <> S+ 0 0 87 -3,-0.9 4,-1.8 1,-0.2 -1,-0.3 0.882 104.1 49.3 -52.1 -41.5 5.8 23.6 -6.6 352 357 A A H S+ 0 0 2 -4,-3.2 5,-2.3 2,-0.2 4,-0.5 0.889 109.9 48.1 -65.2 -40.8 3.9 28.5 1.8 358 363 A E H ><5S+ 0 0 88 -4,-2.5 3,-1.3 -5,-0.3 -2,-0.2 0.943 111.5 51.1 -65.3 -40.0 6.0 31.4 0.7 359 364 A Q H 3<5S+ 0 0 3 -4,-2.6 -21,-2.4 1,-0.3 -20,-0.3 0.898 111.3 47.9 -62.3 -39.2 2.9 33.5 0.4 360 365 A L T 3<5S- 0 0 10 -4,-2.4 -1,-0.3 -23,-0.2 -2,-0.2 0.421 113.0-116.8 -81.1 -1.0 1.8 32.5 3.9 361 366 A N T < 5 + 0 0 54 -3,-1.3 2,-0.9 -4,-0.5 -3,-0.2 0.805 59.3 153.2 66.8 32.3 5.2 33.3 5.5 362 367 A L < - 0 0 9 -5,-2.3 2,-1.5 37,-0.2 -1,-0.2 -0.818 36.1-152.6 -91.0 105.4 5.9 29.7 6.6 363 368 A H - 0 0 167 -2,-0.9 2,-0.2 35,-0.3 35,-0.1 -0.670 25.9-161.6 -84.1 95.9 9.7 29.5 6.7 364 369 A L - 0 0 45 -2,-1.5 2,-0.1 1,-0.1 -3,-0.0 -0.482 11.2-123.8 -84.9 147.2 9.8 25.7 6.0 365 370 A T > - 0 0 75 -2,-0.2 4,-2.1 1,-0.1 -1,-0.1 -0.334 24.3-116.2 -74.8 162.8 12.7 23.3 6.6 366 371 A D H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.892 123.3 52.2 -56.1 -42.2 14.3 21.1 4.0 367 372 A A H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 109.6 46.2 -63.8 -38.9 12.9 18.3 6.3 368 373 A Q H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.872 105.2 60.5 -74.5 -38.3 9.4 19.8 6.3 369 374 A A H X S+ 0 0 16 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 108.8 45.0 -50.7 -45.2 9.5 20.3 2.5 370 375 A K H X S+ 0 0 60 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.947 109.2 52.5 -69.5 -50.7 9.9 16.5 2.1 371 376 A E H X S+ 0 0 53 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.934 114.4 46.1 -48.1 -48.1 7.3 15.4 4.6 372 377 A L H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.909 111.2 49.7 -61.3 -48.2 4.8 17.7 2.7 373 378 A T H X S+ 0 0 50 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 111.9 49.3 -58.8 -45.5 5.8 16.5 -0.7 374 379 A V H X S+ 0 0 65 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.922 111.0 50.8 -58.7 -44.3 5.5 12.9 0.4 375 380 A R H X S+ 0 0 44 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.900 109.9 48.1 -67.0 -38.0 2.0 13.7 1.9 376 381 A I H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.843 110.2 52.5 -70.3 -33.8 0.7 15.4 -1.4 377 382 A K H X S+ 0 0 59 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.974 109.2 49.1 -58.9 -53.2 2.0 12.4 -3.5 378 383 A K H < S+ 0 0 49 -4,-2.4 4,-0.2 1,-0.2 -2,-0.2 0.727 112.8 49.7 -61.4 -22.8 0.1 10.0 -1.2 379 384 A L H >X S+ 0 0 2 -4,-1.1 4,-1.6 -5,-0.2 3,-0.9 0.880 110.6 46.9 -80.5 -41.8 -3.0 12.3 -1.6 380 385 A A H 3< S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.799 100.0 68.0 -70.8 -29.6 -2.8 12.4 -5.4 381 386 A D T 3< S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.761 105.2 45.5 -56.9 -25.4 -2.4 8.6 -5.5 382 387 A V T <4 S- 0 0 56 -3,-0.9 2,-0.3 1,-0.3 -2,-0.2 0.926 132.0 -28.3 -86.4 -55.9 -6.0 8.6 -4.2 383 388 A R S < S- 0 0 40 -4,-1.6 -1,-0.3 397,-0.1 0, 0.0 -0.975 83.1 -61.6-153.0 169.8 -7.6 11.2 -6.6 384 389 A T - 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