==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 30-JUN-04 1TWD . COMPND 2 MOLECULE: COPPER HOMEOSTASIS PROTEIN CUTC; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR F.FOROUHAR,I.LEE,S.M.VOROBIEV,L.-C.MA,R.SHASTRY,K.CONOVER, . 469 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.8 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 1 3 2 4 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 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 . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 2 A A 0 0 39 0, 0.0 2,-0.3 0, 0.0 192,-0.3 0.000 360.0 360.0 360.0 153.0 16.8 48.4 42.0 2 3 A L E -a 193 0A 48 190,-2.6 192,-2.7 20,-0.0 2,-0.6 -0.641 360.0-139.1 -82.7 137.9 18.0 51.8 40.5 3 4 A L E -a 194 0A 0 -2,-0.3 19,-2.1 17,-0.2 20,-1.6 -0.879 19.9-176.6-104.3 113.8 15.2 54.0 39.1 4 5 A E E -ab 195 23A 0 190,-2.9 192,-2.4 -2,-0.6 2,-0.5 -0.929 8.5-159.7-109.8 129.5 15.9 55.8 35.9 5 6 A I E -ab 196 24A 0 18,-2.4 20,-2.2 -2,-0.5 2,-0.5 -0.932 14.7-134.4-113.4 131.5 13.3 58.2 34.5 6 7 A C E - b 0 25A 4 190,-2.5 2,-0.4 -2,-0.5 20,-0.2 -0.727 31.1-175.2 -81.5 122.7 13.1 59.3 30.9 7 8 A C E - b 0 26A 1 18,-2.8 20,-2.6 -2,-0.5 209,-0.1 -0.969 25.6-160.2-125.3 139.8 12.5 63.0 30.8 8 9 A Y S S+ 0 0 46 -2,-0.4 2,-0.3 207,-0.3 21,-0.2 0.202 75.3 28.4-103.0 16.4 11.9 65.3 27.8 9 10 A S S > S- 0 0 14 1,-0.1 4,-1.9 19,-0.1 5,-0.1 -0.978 79.2-108.9-162.8 166.6 12.9 68.6 29.5 10 11 A X H > S+ 0 0 10 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.912 118.7 52.6 -68.3 -42.2 15.0 70.2 32.2 11 12 A E H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.866 109.6 48.4 -62.8 -36.9 12.0 70.9 34.3 12 13 A C H > S+ 0 0 4 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.901 109.8 52.6 -70.0 -38.8 10.8 67.3 34.1 13 14 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.909 110.6 47.7 -61.8 -40.7 14.3 66.1 35.0 14 15 A L H X S+ 0 0 25 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.891 111.4 50.5 -67.3 -38.5 14.2 68.3 38.1 15 16 A T H X S+ 0 0 45 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.915 109.6 50.5 -64.5 -42.9 10.7 67.0 38.9 16 17 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 3,-0.6 0.940 111.7 48.9 -59.2 -47.1 12.0 63.4 38.6 17 18 A Q H ><5S+ 0 0 42 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.932 108.0 52.3 -57.8 -50.6 14.9 64.2 40.9 18 19 A Q H 3<5S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.713 109.5 52.2 -62.2 -19.4 12.7 65.9 43.5 19 20 A N T <<5S- 0 0 55 -4,-1.1 -1,-0.3 -3,-0.6 207,-0.3 0.197 129.9 -85.3-104.3 16.9 10.5 62.8 43.6 20 21 A G T < 5 + 0 0 21 -3,-1.9 -3,-0.2 1,-0.2 -17,-0.2 0.511 67.1 158.6 100.2 3.8 13.3 60.2 44.1 21 22 A A < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 -17,-0.2 -0.362 28.7-157.5 -60.8 139.1 14.6 59.4 40.7 22 23 A D S S+ 0 0 56 -19,-2.1 2,-0.3 1,-0.3 -18,-0.2 0.766 75.1 3.3 -88.0 -27.2 18.1 57.9 40.9 23 24 A R E -b 4 0A 8 -20,-1.6 -18,-2.4 28,-0.1 2,-0.4 -0.987 64.6-142.2-155.2 155.8 19.0 58.8 37.3 24 25 A V E -bc 5 53A 0 28,-2.3 30,-2.9 -2,-0.3 2,-0.6 -0.970 5.6-150.6-126.0 137.8 17.5 60.6 34.4 25 26 A E E -bc 6 54A 11 -20,-2.2 -18,-2.8 -2,-0.4 2,-0.6 -0.961 26.7-146.8-103.1 118.4 17.8 59.8 30.7 26 27 A L E +bc 7 55A 0 28,-1.4 30,-2.5 -2,-0.6 2,-0.3 -0.807 28.5 158.7 -96.5 120.4 17.5 63.2 29.0 27 28 A C - 0 0 2 -20,-2.6 2,-0.3 -2,-0.6 9,-0.2 -0.838 28.1-149.5-133.5 168.5 15.8 63.4 25.6 28 29 A A B S+I 35 0B 15 7,-1.9 7,-2.5 -2,-0.3 268,-0.1 -0.771 72.1 38.9-126.0 171.2 14.0 65.7 23.2 29 30 A A > > - 0 0 2 266,-0.4 5,-2.0 -2,-0.3 3,-1.8 0.939 53.9-170.4 51.2 71.2 11.2 64.9 20.7 30 31 A P G > 5S+ 0 0 29 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.819 86.0 60.8 -58.7 -29.4 8.9 62.4 22.4 31 32 A K G 3 5S+ 0 0 98 1,-0.2 -2,-0.1 2,-0.1 234,-0.0 0.685 104.6 49.2 -71.6 -16.6 7.1 61.8 19.1 32 33 A E G < 5S- 0 0 13 -3,-1.8 30,-0.3 -4,-0.1 -1,-0.2 0.433 122.0-106.2 -98.4 -3.8 10.4 60.6 17.6 33 34 A G T < 5S- 0 0 47 -3,-1.0 -2,-0.1 -4,-0.5 -4,-0.1 0.568 82.0 -38.6 88.9 8.5 11.1 58.2 20.5 34 35 A G < - 0 0 0 -5,-2.0 2,-0.3 -6,-0.1 -5,-0.2 0.507 65.5-170.0 105.3 112.9 13.8 60.5 21.9 35 36 A L B -I 28 0B 6 -7,-2.5 -7,-1.9 24,-0.1 21,-0.2 -0.813 42.0 -68.2-126.5 167.7 16.4 62.5 20.1 36 37 A T - 0 0 10 22,-2.1 21,-0.1 -2,-0.3 -9,-0.1 -0.301 52.9-124.5 -57.9 129.4 19.5 64.5 21.1 37 38 A P - 0 0 1 0, 0.0 238,-0.4 0, 0.0 -1,-0.1 -0.423 29.8-101.4 -74.7 154.4 18.7 67.6 23.1 38 39 A S > - 0 0 5 236,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.220 33.6-104.4 -68.8 164.0 20.0 71.0 22.0 39 40 A L H > S+ 0 0 21 234,-0.3 4,-3.2 1,-0.2 5,-0.3 0.896 120.8 58.0 -57.0 -42.1 23.0 72.6 23.6 40 41 A G H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 108.9 43.7 -55.9 -44.0 20.7 75.0 25.4 41 42 A V H > S+ 0 0 20 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.918 113.4 52.1 -68.7 -43.1 18.8 72.2 27.1 42 43 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.941 111.8 45.2 -57.9 -49.8 22.0 70.3 27.9 43 44 A K H X S+ 0 0 65 -4,-3.2 4,-1.4 1,-0.2 -1,-0.2 0.882 110.2 55.7 -63.0 -37.9 23.6 73.3 29.6 44 45 A S H X S+ 0 0 6 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.911 108.2 47.9 -60.1 -43.7 20.4 74.0 31.5 45 46 A V H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 3,-0.3 0.904 108.0 53.4 -66.5 -41.4 20.3 70.6 32.9 46 47 A R H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.811 112.1 48.1 -63.6 -26.9 24.0 70.7 34.0 47 48 A Q H < S+ 0 0 135 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.774 126.5 22.7 -83.3 -26.3 23.1 73.9 35.8 48 49 A R H < S+ 0 0 130 -4,-1.5 2,-0.5 -3,-0.3 -2,-0.2 0.723 105.8 73.0-113.9 -28.6 20.0 72.7 37.6 49 50 A V < + 0 0 4 -4,-3.1 4,-0.1 -5,-0.2 -1,-0.1 -0.814 42.8 176.3-100.1 128.2 20.1 68.9 37.9 50 51 A T + 0 0 122 -2,-0.5 -1,-0.1 2,-0.1 3,-0.1 0.769 55.9 84.0 -99.0 -30.7 22.4 67.1 40.4 51 52 A I S S- 0 0 34 1,-0.2 -28,-0.1 -30,-0.0 -29,-0.1 -0.270 102.1 -70.2 -68.3 162.4 21.5 63.5 40.1 52 53 A P - 0 0 61 0, 0.0 -28,-2.3 0, 0.0 2,-0.4 -0.297 54.0-167.6 -56.2 132.2 23.1 61.5 37.3 53 54 A V E -c 24 0A 5 -30,-0.2 35,-0.8 -3,-0.1 -28,-0.2 -0.993 9.6-169.5-126.9 128.0 21.8 62.5 33.8 54 55 A H E -c 25 0A 7 -30,-2.9 -28,-1.4 -2,-0.4 35,-0.3 -0.933 15.2-149.5-118.2 106.3 22.5 60.6 30.7 55 56 A P E -c 26 0A 0 0, 0.0 35,-2.5 0, 0.0 2,-0.2 -0.461 18.7-118.9 -74.0 146.0 21.5 62.4 27.5 56 57 A I B -d 90 0A 7 -30,-2.5 2,-0.6 -21,-0.2 35,-0.2 -0.615 17.0-151.5 -82.6 145.1 20.4 60.3 24.5 57 58 A I + 0 0 0 33,-3.1 35,-0.4 -2,-0.2 17,-0.1 -0.931 44.2 130.1-118.5 101.2 22.5 60.7 21.3 58 59 A R - 0 0 22 -2,-0.6 -22,-2.1 33,-0.1 -2,-0.1 -0.828 38.5-164.3-158.3 110.6 20.2 60.0 18.4 59 60 A P S S+ 0 0 19 0, 0.0 206,-0.5 0, 0.0 2,-0.3 0.682 73.7 1.7 -71.5 -23.7 19.9 62.3 15.4 60 61 A R S S- 0 0 25 3,-0.1 6,-0.0 -26,-0.1 390,-0.0 -0.969 74.4-104.8-157.4 166.2 16.6 61.0 14.0 61 62 A G S S+ 0 0 9 -2,-0.3 2,-0.2 -3,-0.0 -28,-0.1 -0.065 78.0 52.8 -83.3-168.7 13.9 58.5 14.6 62 63 A G S S+ 0 0 26 -30,-0.3 387,-0.1 385,-0.1 388,-0.1 -0.566 98.7 4.1 85.1-145.2 13.5 55.2 12.8 63 64 A D - 0 0 0 385,-0.6 -3,-0.1 -2,-0.2 59,-0.0 -0.048 60.7-125.2 -73.2 176.7 16.3 52.7 12.4 64 65 A F S S+ 0 0 17 31,-0.1 30,-1.9 1,-0.1 2,-1.0 0.020 77.2 108.0-112.7 24.8 19.9 52.8 13.8 65 66 A C - 0 0 15 28,-0.2 -2,-0.1 31,-0.0 -1,-0.1 -0.649 59.1-167.8-102.5 72.9 21.8 52.4 10.5 66 67 A Y - 0 0 7 -2,-1.0 -2,-0.1 28,-0.1 2,-0.0 -0.229 18.5-116.0 -67.3 149.7 23.0 56.0 10.4 67 68 A S > - 0 0 33 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.246 33.1-104.3 -74.3 168.8 24.6 57.7 7.4 68 69 A D H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.847 123.7 52.7 -65.4 -31.5 28.2 58.8 7.5 69 70 A G H > S+ 0 0 14 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.944 110.5 44.9 -68.0 -47.6 26.9 62.4 7.9 70 71 A E H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.888 111.7 54.1 -63.6 -38.2 24.6 61.5 10.8 71 72 A F H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.863 102.9 56.1 -65.0 -36.2 27.4 59.5 12.4 72 73 A A H X S+ 0 0 45 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.901 109.8 46.6 -61.6 -39.9 29.8 62.5 12.2 73 74 A A H X S+ 0 0 3 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.915 108.7 56.0 -67.1 -42.9 27.2 64.5 14.1 74 75 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 106.9 48.7 -55.4 -47.1 26.8 61.7 16.6 75 76 A L H X S+ 0 0 28 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.880 111.5 49.4 -63.3 -37.7 30.5 61.7 17.4 76 77 A E H X S+ 0 0 47 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.863 110.2 51.5 -70.1 -33.7 30.6 65.4 17.9 77 78 A D H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.886 108.3 51.8 -69.2 -35.9 27.5 65.1 20.2 78 79 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.941 110.9 47.6 -64.1 -45.2 29.4 62.4 22.2 79 80 A R H X S+ 0 0 100 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.887 112.3 50.9 -62.1 -37.8 32.3 64.8 22.6 80 81 A T H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.928 109.1 48.1 -65.6 -47.8 30.0 67.6 23.6 81 82 A V H <>S+ 0 0 1 -4,-2.6 5,-1.9 1,-0.2 4,-0.4 0.876 113.9 49.2 -62.1 -36.4 28.2 65.6 26.3 82 83 A R H ><5S+ 0 0 98 -4,-2.1 3,-1.3 -5,-0.2 -2,-0.2 0.932 110.8 48.8 -68.2 -45.4 31.6 64.5 27.6 83 84 A E H 3<5S+ 0 0 153 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.836 105.8 58.0 -64.5 -31.4 32.9 68.1 27.6 84 85 A L T 3<5S- 0 0 46 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.583 117.9-112.6 -74.4 -10.1 29.8 69.4 29.4 85 86 A G T < 5 + 0 0 38 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.660 56.2 160.8 90.7 15.3 30.5 66.9 32.3 86 87 A F < - 0 0 2 -5,-1.9 -1,-0.2 1,-0.1 -32,-0.1 -0.426 40.6-135.5 -67.5 147.6 27.6 64.5 32.0 87 88 A P S S- 0 0 61 0, 0.0 29,-2.4 0, 0.0 2,-0.3 0.635 76.6 -13.6 -78.8 -14.8 28.3 61.2 33.8 88 89 A G E - e 0 116A 0 -35,-0.8 2,-0.3 27,-0.3 29,-0.2 -0.954 57.9-144.6-167.6-177.2 27.0 59.1 30.9 89 90 A L E - e 0 117A 0 27,-1.6 29,-3.0 -35,-0.3 2,-0.4 -0.966 14.8-126.9-157.6 166.3 25.0 59.0 27.7 90 91 A V E +de 56 118A 0 -35,-2.5 -33,-3.1 -2,-0.3 2,-0.3 -0.981 43.1 125.8-125.9 130.0 22.6 56.7 25.8 91 92 A T E - e 0 119A 0 27,-2.6 29,-1.9 -2,-0.4 2,-0.2 -0.909 26.2-166.7-162.0-172.4 23.0 55.6 22.1 92 93 A G - 0 0 0 -35,-0.4 2,-0.4 -2,-0.3 29,-0.0 -0.708 5.3-164.8 171.1 136.5 23.2 52.7 19.7 93 94 A V - 0 0 0 -2,-0.2 8,-2.3 8,-0.1 2,-0.3 -1.000 14.3-173.2-134.5 131.5 24.2 51.9 16.1 94 95 A L B -J 100 0C 1 -30,-1.9 6,-0.2 -2,-0.4 2,-0.1 -0.834 18.8-126.4-123.2 160.7 23.3 48.7 14.3 95 96 A D > - 0 0 45 4,-2.9 3,-1.4 -2,-0.3 -31,-0.1 -0.413 42.1 -92.7 -94.2 178.6 24.1 47.1 10.9 96 97 A V T 3 S+ 0 0 45 1,-0.3 347,-2.9 -2,-0.1 348,-1.8 0.647 121.6 57.8 -68.4 -13.9 21.6 46.0 8.3 97 98 A D T 3 S- 0 0 65 346,-0.2 -1,-0.3 345,-0.1 30,-0.2 0.252 121.0 -98.5-101.5 13.5 21.6 42.4 9.7 98 99 A G S < S+ 0 0 0 -3,-1.4 29,-2.0 1,-0.3 30,-0.4 0.799 83.0 126.5 78.4 27.6 20.5 43.3 13.2 99 100 A N S S- 0 0 65 27,-0.2 -4,-2.9 28,-0.1 -1,-0.3 -0.851 70.6 -95.1-115.6 154.0 24.0 43.2 14.7 100 101 A V B -J 94 0C 6 -2,-0.3 2,-1.6 -6,-0.2 -6,-0.3 -0.452 38.0-121.3 -64.0 137.2 25.7 45.9 16.7 101 102 A D > - 0 0 28 -8,-2.3 4,-2.8 1,-0.2 5,-0.2 -0.674 36.1-177.4 -82.0 90.7 27.9 48.0 14.4 102 103 A X H > S+ 0 0 52 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.895 73.0 53.1 -61.2 -44.7 31.2 47.3 16.2 103 104 A P H > S+ 0 0 97 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.944 117.5 38.0 -59.4 -44.2 33.5 49.5 14.2 104 105 A R H > S+ 0 0 35 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.907 114.2 53.4 -74.3 -38.7 31.3 52.5 14.6 105 106 A X H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.876 104.1 59.2 -61.5 -34.2 30.4 51.8 18.2 106 107 A E H X S+ 0 0 99 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.905 103.8 50.0 -60.4 -41.2 34.1 51.6 18.9 107 108 A K H X S+ 0 0 124 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.2 0.858 109.7 52.1 -65.7 -34.6 34.6 55.2 17.7 108 109 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.944 108.4 49.6 -66.3 -46.6 31.7 56.2 20.0 109 110 A X H X S+ 0 0 24 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.900 109.6 52.6 -58.8 -40.7 33.3 54.6 23.0 110 111 A A H < S+ 0 0 66 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.934 113.0 43.3 -60.3 -47.0 36.6 56.3 22.2 111 112 A A H < S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 110.1 57.7 -68.0 -32.9 34.9 59.7 22.0 112 113 A A H >< S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.786 80.1 173.9 -68.9 -29.2 32.9 58.9 25.2 113 114 A G T 3< - 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