==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-07 2QV6 . COMPND 2 MOLECULE: GTP CYCLOHYDROLASE III; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR S.A.ROBERTS,V.BANDARIAN . 1008 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 15.5 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 39 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 378 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.0 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 6 0 2 0 0 0 0 0 0 0 4 8 4 0 0 0 8 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 8 0 8 0 0 8 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 0 0 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 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 M 0 0 65 0, 0.0 130,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 174.7 13.3 59.4 9.5 2 2 A I E -A 91 0A 0 89,-1.5 89,-1.6 128,-0.1 2,-0.4 -0.718 360.0-156.4-101.5 130.9 12.9 55.9 10.9 3 3 A Q E -A 90 0A 2 -2,-0.4 58,-1.6 87,-0.2 59,-0.5 -0.885 17.1-174.0 -99.8 133.7 12.9 54.8 14.6 4 4 A I E -AB 89 60A 1 85,-2.8 85,-2.0 -2,-0.4 2,-0.4 -0.964 12.8-153.1-132.4 142.0 13.9 51.2 15.3 5 5 A T E -AB 88 59A 0 54,-2.4 54,-1.7 -2,-0.3 2,-0.4 -0.973 6.6-152.8-118.3 129.8 13.8 49.2 18.5 6 6 A V E -AB 87 58A 0 81,-2.5 81,-1.9 -2,-0.4 2,-0.4 -0.893 13.9-165.0-103.1 135.3 16.2 46.2 19.1 7 7 A I E +AB 86 57A 0 50,-2.4 50,-2.7 -2,-0.4 2,-0.4 -0.977 8.5 179.1-126.7 129.5 14.8 43.6 21.5 8 8 A Q E -AB 85 56A 9 77,-1.9 77,-2.2 -2,-0.4 2,-0.5 -0.993 30.8-121.8-135.6 138.2 16.9 40.8 23.1 9 9 A I E > -A 84 0A 5 46,-2.4 3,-0.8 -2,-0.4 75,-0.2 -0.728 40.2-118.8 -79.0 127.5 16.1 38.1 25.6 10 10 A D T 3 S- 0 0 5 73,-2.1 73,-0.3 -2,-0.5 102,-0.1 -0.411 79.6 -19.4 -65.7 130.8 18.3 38.6 28.6 11 11 A N T 3> S+ 0 0 33 100,-0.9 4,-1.1 99,-0.2 -1,-0.2 0.752 85.0 154.4 44.0 40.1 20.8 35.7 29.5 12 12 A Y H <> + 0 0 17 -3,-0.8 4,-1.7 99,-0.4 -1,-0.1 0.818 55.6 63.2 -69.1 -40.6 18.8 33.2 27.4 13 13 A G H > S+ 0 0 26 98,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.919 104.6 45.1 -56.7 -51.9 21.5 30.7 26.5 14 14 A P H >> S+ 0 0 45 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.905 111.6 55.4 -56.7 -40.0 22.2 29.6 30.1 15 15 A W H 3< S+ 0 0 51 -4,-1.1 -2,-0.2 1,-0.2 5,-0.2 0.851 102.0 56.5 -58.0 -36.9 18.4 29.3 30.8 16 16 A T H 3< S+ 0 0 31 -4,-1.7 6,-0.4 1,-0.2 -1,-0.2 0.776 120.3 27.4 -75.1 -22.5 17.8 27.0 27.9 17 17 A V H << S+ 0 0 37 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.469 94.9 125.5-116.6 -1.7 20.3 24.4 29.1 18 18 A T S < S- 0 0 85 -4,-1.4 -1,-0.0 1,-0.2 4,-0.0 -0.921 88.3 -4.3-114.0 127.8 20.3 25.0 32.9 19 19 A P S S- 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.990 144.0 -21.2 -74.3 -22.7 19.7 22.7 34.9 20 20 A N S S- 0 0 99 -5,-0.2 -2,-0.1 -4,-0.0 716,-0.0 -0.946 78.4 -81.4-134.2 168.4 19.1 20.5 31.8 21 21 A P - 0 0 43 0, 0.0 2,-0.4 0, 0.0 -4,-0.2 -0.179 47.5-131.7 -59.0 159.9 18.2 20.9 28.2 22 22 A R - 0 0 28 -6,-0.4 5,-0.1 814,-0.0 -6,-0.0 -0.942 27.3 -84.6-125.1 141.6 14.6 21.4 27.3 23 23 A R >> - 0 0 3 -2,-0.4 4,-1.7 1,-0.1 3,-0.6 -0.179 34.1-140.2 -45.5 125.9 12.2 19.8 24.8 24 24 A E H 3> S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.817 100.1 59.1 -60.9 -36.9 12.6 21.6 21.4 25 25 A S H 3> S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.849 106.3 48.9 -63.8 -37.4 8.9 21.5 20.7 26 26 A D H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.864 110.0 51.2 -64.5 -41.5 8.3 23.6 23.9 27 27 A L H X S+ 0 0 13 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.832 108.2 52.1 -67.7 -33.1 11.0 26.1 23.0 28 28 A Q H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.902 113.0 44.5 -63.6 -43.3 9.5 26.6 19.5 29 29 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.910 113.4 50.5 -65.0 -46.6 6.1 27.3 21.1 30 30 A L H X S+ 0 0 4 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.918 114.0 45.5 -56.3 -48.1 7.7 29.6 23.7 31 31 A Q H X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.864 114.2 45.7 -66.6 -42.5 9.5 31.5 21.0 32 32 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.854 110.5 55.0 -68.2 -38.6 6.6 31.9 18.6 33 33 A R H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.911 107.6 49.6 -61.9 -43.3 4.3 32.9 21.4 34 34 A L H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.920 112.8 47.4 -57.5 -49.4 6.7 35.7 22.3 35 35 A Y H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.881 111.9 49.9 -57.7 -44.3 6.9 36.9 18.7 36 36 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.945 112.3 47.3 -64.7 -47.8 3.0 36.7 18.4 37 37 A D H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.908 108.4 54.8 -56.9 -48.9 2.5 38.8 21.6 38 38 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.4 0.873 109.8 47.1 -56.2 -42.2 5.1 41.4 20.6 39 39 A N H X S+ 0 0 0 -4,-1.8 4,-1.2 3,-0.2 -1,-0.2 0.834 113.2 48.6 -67.1 -36.2 3.3 42.0 17.3 40 40 A L H X S+ 0 0 1 -4,-1.9 4,-1.6 3,-0.2 -2,-0.2 0.949 118.3 39.3 -65.4 -45.7 -0.1 42.2 19.0 41 41 A M H < S+ 0 0 2 -4,-2.8 4,-0.3 2,-0.2 -2,-0.2 0.893 124.0 37.5 -77.4 -45.0 1.2 44.7 21.7 42 42 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 3,-1.1 0.831 115.5 57.4 -67.5 -34.9 3.4 46.8 19.4 43 43 A G H ><5S+ 0 0 0 -4,-1.2 3,-1.9 -5,-0.4 -2,-0.2 0.827 94.4 66.0 -62.0 -34.8 0.7 46.4 16.8 44 44 A A T 3<5S+ 0 0 5 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.718 108.0 39.8 -56.1 -27.3 -1.7 47.9 19.3 45 45 A H T < 5S- 0 0 45 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 -0.030 129.2 -93.8-114.3 27.9 0.2 51.1 18.9 46 46 A K T < 5S+ 0 0 66 -3,-1.9 177,-1.8 1,-0.2 176,-0.4 0.668 82.9 129.9 69.1 24.6 0.8 50.8 15.1 47 47 A G < - 0 0 1 -5,-2.8 2,-0.3 175,-0.2 -1,-0.2 -0.395 43.7-146.7 -92.2 178.9 4.2 49.1 15.2 48 48 A L E -C 60 0A 4 12,-1.3 12,-2.6 -2,-0.1 2,-0.4 -0.972 6.8-160.3-150.7 137.3 5.5 46.0 13.4 49 49 A V E -C 59 0A 0 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.925 4.4-154.0-122.2 137.9 8.0 43.4 14.7 50 50 A F E -C 58 0A 3 8,-2.9 8,-1.2 -2,-0.4 4,-0.1 -0.901 19.8-131.1-112.3 146.8 10.1 40.9 12.5 51 51 A Y > + 0 0 12 -2,-0.3 3,-2.7 128,-0.3 2,-0.5 0.812 39.2 165.2 -75.4 -34.3 11.3 37.7 14.1 52 52 A T T 3 S- 0 0 6 1,-0.3 -1,-0.2 127,-0.2 5,-0.2 -0.390 77.9 -16.0 66.6-106.7 14.9 37.9 13.0 53 53 A R T 3 S- 0 0 4 3,-1.9 634,-3.1 -2,-0.5 2,-1.5 0.325 85.3-127.0-110.4 2.9 16.7 35.3 15.1 54 54 A F S < S+ 0 0 8 -3,-2.7 3,-0.1 2,-0.7 -2,-0.1 -0.365 107.4 58.7 79.7 -50.5 14.0 34.8 17.8 55 55 A D S S+ 0 0 30 -2,-1.5 -46,-2.4 1,-0.2 2,-0.3 0.631 117.8 36.5 -78.3 -16.0 16.3 35.5 20.8 56 56 A N E S-B 8 0A 8 -5,-0.3 -3,-1.9 -48,-0.2 -2,-0.7 -0.993 78.7-178.0-132.3 134.4 17.0 38.9 19.1 57 57 A L E -B 7 0A 3 -50,-2.7 -50,-2.4 -2,-0.3 2,-0.4 -0.916 18.8-142.6-135.1 155.1 14.2 40.9 17.2 58 58 A I E -BC 6 50A 2 -8,-1.2 -8,-2.9 -2,-0.3 2,-0.3 -0.961 20.0-178.1-120.6 138.8 13.9 44.2 15.2 59 59 A A E -BC 5 49A 0 -54,-1.7 -54,-2.4 -2,-0.4 2,-0.6 -0.971 25.9-135.5-136.6 140.4 10.8 46.4 15.4 60 60 A I E +BC 4 48A 2 -12,-2.6 -12,-1.3 -2,-0.3 -56,-0.2 -0.931 30.2 171.5 -98.0 123.0 9.8 49.7 13.6 61 61 A T > + 0 0 0 -58,-1.6 3,-2.8 -2,-0.6 -57,-0.2 0.007 4.9 163.3-129.2 28.2 8.4 51.9 16.3 62 62 A N T 3 S+ 0 0 6 -59,-0.5 160,-0.3 1,-0.3 3,-0.1 -0.285 78.7 13.2 -51.0 119.8 7.8 55.3 14.8 63 63 A G T 3 S+ 0 0 54 64,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.386 96.2 117.5 92.8 -1.6 5.5 57.1 17.2 64 64 A I < - 0 0 4 -3,-2.8 -1,-0.3 -18,-0.1 -3,-0.1 -0.890 54.6-145.5 -99.9 125.1 5.8 54.7 20.1 65 65 A D > - 0 0 76 -2,-0.5 4,-1.6 -3,-0.1 5,-0.1 -0.119 23.7-100.8 -90.1 179.4 7.2 56.3 23.2 66 66 A L H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 118.2 54.3 -68.6 -37.8 9.5 55.1 26.0 67 67 A I H > S+ 0 0 107 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 107.8 49.9 -66.9 -39.4 6.7 54.6 28.6 68 68 A T H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 109.6 51.9 -63.7 -41.4 4.8 52.3 26.2 69 69 A H H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.896 108.5 52.2 -58.0 -44.1 8.0 50.3 25.6 70 70 A K H X S+ 0 0 125 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.890 107.9 50.2 -61.4 -40.2 8.3 50.0 29.4 71 71 A R H X S+ 0 0 34 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.864 110.2 49.6 -71.3 -33.9 4.8 48.7 29.8 72 72 A I H X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.904 111.0 51.0 -65.4 -41.7 5.3 46.0 27.0 73 73 A Q H X S+ 0 0 11 -4,-2.2 4,-1.9 1,-0.2 11,-0.2 0.878 109.7 50.4 -59.3 -41.2 8.6 45.0 28.8 74 74 A E H X S+ 0 0 49 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.854 106.2 54.8 -68.6 -36.4 6.6 44.7 32.1 75 75 A S H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 3,-0.3 0.922 108.6 48.6 -62.5 -43.0 4.0 42.5 30.4 76 76 A I H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-1.0 0.908 107.8 55.2 -62.5 -43.9 6.7 40.1 29.2 77 77 A R H 3< S+ 0 0 95 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.2 49.2 -55.7 -34.3 8.3 39.9 32.7 78 78 A N H 3< S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.551 121.7 30.4 -84.3 -14.7 4.9 38.9 34.3 79 79 A R H << S+ 0 0 10 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.429 109.0 66.2-127.0 -4.7 4.1 36.1 31.9 80 80 A Y S < S- 0 0 12 -4,-1.6 758,-0.1 2,-0.3 757,-0.1 -0.851 76.4-121.6-121.2 158.3 7.4 34.6 30.7 81 81 A P S S+ 0 0 29 0, 0.0 2,-0.3 0, 0.0 757,-0.1 0.254 95.4 35.6 -76.0 15.1 10.2 32.7 32.3 82 82 A F S S- 0 0 19 -6,-0.3 2,-0.3 -67,-0.0 -2,-0.3 -0.887 76.3-116.9-152.7 173.8 12.7 35.4 31.2 83 83 A T - 0 0 19 -73,-0.3 -73,-2.1 -2,-0.3 2,-0.3 -0.811 18.9-139.4-115.1 168.9 13.1 39.2 30.7 84 84 A V E -A 9 0A 2 -2,-0.3 2,-0.3 -75,-0.2 -75,-0.2 -0.963 3.6-149.8-129.2 144.3 13.8 41.4 27.6 85 85 A S E -A 8 0A 0 -77,-2.2 -77,-1.9 -2,-0.3 2,-0.4 -0.841 15.4-165.5-105.9 148.3 16.0 44.4 27.1 86 86 A M E -Ad 7 120A 0 33,-2.7 35,-1.5 -2,-0.3 2,-0.4 -0.985 9.9-174.9-142.0 126.7 15.1 47.1 24.6 87 87 A V E -Ad 6 121A 0 -81,-1.9 -81,-2.5 -2,-0.4 2,-0.3 -0.978 12.6-153.6-121.5 137.3 17.2 50.0 23.0 88 88 A I E +Ad 5 122A 0 33,-2.3 35,-3.3 -2,-0.4 36,-0.4 -0.835 16.9 169.6-110.8 141.7 15.7 52.6 20.6 89 89 A A E -A 4 0A 0 -85,-2.0 -85,-2.8 -2,-0.3 2,-0.3 -0.984 17.5-152.2-150.9 144.3 17.5 54.6 17.9 90 90 A S E +A 3 0A 1 -2,-0.3 2,-0.3 -87,-0.2 -87,-0.2 -0.861 26.4 146.7-113.0 154.6 16.5 56.9 15.1 91 91 A A E -A 2 0A 9 -89,-1.6 -89,-1.5 -2,-0.3 6,-0.1 -0.951 57.3 -98.0-173.9 168.1 18.5 57.5 11.8 92 92 A E S S+ 0 0 141 -2,-0.3 -89,-0.1 -91,-0.2 -1,-0.1 0.806 106.9 38.7 -72.6 -29.4 17.9 58.3 8.2 93 93 A T S > S- 0 0 20 1,-0.1 4,-2.3 -91,-0.1 82,-0.1 -0.888 82.0-122.8-118.8 149.9 18.3 54.6 7.1 94 94 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.872 112.1 52.6 -52.9 -40.3 17.1 51.4 8.8 95 95 A Y H > S+ 0 0 35 79,-1.8 4,-1.7 2,-0.2 5,-0.2 0.932 109.4 48.3 -69.1 -43.5 20.7 50.0 8.9 96 96 A E H > S+ 0 0 75 78,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.941 111.1 53.4 -54.8 -50.7 22.1 53.1 10.6 97 97 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.891 111.5 41.3 -53.5 -51.2 19.2 53.0 13.1 98 98 A Q H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 559,-0.4 0.811 111.0 57.7 -72.9 -28.4 19.7 49.4 14.3 99 99 A K H X S+ 0 0 82 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.929 109.5 44.2 -66.9 -47.0 23.5 49.7 14.4 100 100 A L H X S+ 0 0 60 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.934 113.5 51.2 -59.9 -49.7 23.2 52.6 16.8 101 101 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.920 111.5 47.7 -53.9 -45.6 20.5 50.8 18.9 102 102 A T H X S+ 0 0 8 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.865 106.9 57.7 -67.8 -32.9 22.7 47.7 19.1 103 103 A E H X S+ 0 0 81 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.919 107.9 45.4 -65.8 -43.1 25.8 49.8 20.1 104 104 A T H X S+ 0 0 19 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.873 110.4 54.7 -65.3 -38.6 24.1 51.2 23.2 105 105 A L H >X S+ 0 0 2 -4,-1.8 3,-1.0 -5,-0.2 4,-0.7 0.954 109.0 47.9 -58.9 -44.9 22.8 47.8 24.1 106 106 A Q H 3< S+ 0 0 42 -4,-2.3 3,-0.5 1,-0.3 -1,-0.2 0.800 101.3 64.3 -71.9 -28.3 26.3 46.3 24.1 107 107 A E H 3< S+ 0 0 162 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.813 100.9 53.4 -59.1 -34.2 27.7 49.2 26.1 108 108 A Y H << S- 0 0 110 -4,-1.1 -1,-0.2 -3,-1.0 2,-0.2 0.708 122.4 -86.8 -75.5 -24.1 25.4 48.0 29.0 109 109 A G < - 0 0 18 -4,-0.7 -1,-0.3 -3,-0.5 4,-0.1 -0.768 56.9 -30.5 141.4 175.1 26.8 44.5 28.8 110 110 A S > - 0 0 37 -2,-0.2 3,-1.4 1,-0.1 -99,-0.2 -0.305 43.9-125.2 -66.9 142.0 26.8 41.0 27.4 111 111 A A T 3 S+ 0 0 11 1,-0.3 -100,-0.9 537,-0.1 -99,-0.4 0.575 116.5 50.4 -57.2 -12.2 23.7 39.2 26.1 112 112 A Q T 3 S+ 0 0 91 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