==== 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 ISOMERASE 09-JUN-06 2H9F . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 391 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 37 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 0 0 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 1 4 0 2 3 2 2 0 1 0 1 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 0 0 0 0 0 0 0 0 0 1 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 X 0 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.0 64.2 58.0 1.0 2 2 A A + 0 0 92 1,-0.3 0, 0.0 2,-0.0 0, 0.0 0.810 360.0 30.7 -70.0 -33.1 68.0 58.0 0.8 3 3 A H S S- 0 0 152 386,-0.0 -1,-0.3 3,-0.0 3,-0.1 -0.748 77.3-171.8-132.8 85.7 68.4 55.6 3.7 4 4 A P - 0 0 72 0, 0.0 385,-0.2 0, 0.0 386,-0.1 -0.170 37.6 -84.0 -64.7 165.1 65.6 53.2 4.2 5 5 A P - 0 0 93 0, 0.0 384,-0.6 0, 0.0 2,-0.1 -0.174 51.8 -88.4 -66.6 164.7 65.4 51.1 7.2 6 6 A Q E -A 388 0A 85 382,-0.2 2,-0.3 -3,-0.1 380,-0.0 -0.391 41.8-113.0 -65.2 155.5 67.3 47.8 7.6 7 7 A I E -A 387 0A 66 380,-3.1 380,-1.4 -3,-0.1 2,-0.5 -0.648 22.4-139.1 -84.4 138.9 65.6 44.6 6.4 8 8 A R E -A 386 0A 135 -2,-0.3 378,-0.2 378,-0.2 376,-0.0 -0.961 21.4-171.9-103.3 119.7 64.8 42.1 9.2 9 9 A I E -A 385 0A 2 376,-3.1 376,-2.9 -2,-0.5 20,-0.1 -0.970 28.0-117.4-115.9 118.2 65.6 38.5 8.1 10 10 A P E +A 384 0A 40 0, 0.0 2,-0.3 0, 0.0 374,-0.3 -0.373 52.5 154.1 -53.4 131.3 64.5 35.5 10.2 11 11 A A E -A 383 0A 11 372,-2.1 372,-2.2 13,-0.1 2,-0.4 -0.973 37.2-142.4-157.0 162.1 67.6 33.7 11.4 12 12 A T E -AB 382 23A 22 11,-2.0 11,-3.8 -2,-0.3 2,-0.7 -0.999 12.5-148.6-133.7 131.1 69.0 31.5 14.1 13 13 A Y E +AB 381 22A 32 368,-3.3 367,-3.2 -2,-0.4 368,-1.9 -0.903 30.3 173.2-105.5 116.4 72.5 31.8 15.4 14 14 A L E -AB 379 21A 0 7,-2.2 7,-2.5 -2,-0.7 2,-0.6 -0.927 36.4-131.5-125.8 150.1 73.8 28.5 16.6 15 15 A R E -AB 378 20A 25 363,-2.8 363,-2.3 -2,-0.4 2,-0.5 -0.882 26.3-173.9 -89.7 126.3 77.0 26.8 17.8 16 16 A G E > -AB 377 19A 0 3,-2.4 3,-1.8 -2,-0.6 361,-0.2 -0.976 60.8 -50.3-124.4 111.8 77.5 23.6 15.8 17 17 A G T 3 S- 0 0 0 359,-2.6 147,-0.1 -2,-0.5 89,-0.1 -0.432 122.5 -19.8 57.1-124.3 80.4 21.7 17.1 18 18 A T T 3 S+ 0 0 57 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.077 126.3 74.7-106.3 23.6 83.4 24.0 17.5 19 19 A S E < -B 16 0A 8 -3,-1.8 -3,-2.4 87,-0.1 2,-0.4 -0.874 66.0-141.5-126.2 160.7 82.0 26.7 15.0 20 20 A K E +B 15 0A 79 47,-2.5 50,-0.4 -2,-0.3 2,-0.3 -0.961 26.3 172.3-117.3 143.2 79.3 29.4 15.1 21 21 A G E -B 14 0A 1 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.6 -0.975 35.4-119.3-146.9 159.6 77.1 30.1 12.2 22 22 A V E -Bc 13 71A 1 48,-2.0 50,-2.5 -2,-0.3 2,-0.4 -0.921 36.7-153.9-100.6 122.2 74.1 32.2 11.2 23 23 A F E -Bc 12 72A 0 -11,-3.8 -11,-2.0 -2,-0.6 2,-0.4 -0.841 13.9-177.3-107.3 135.0 71.3 29.8 10.0 24 24 A F E - c 0 73A 0 48,-2.9 50,-2.3 -2,-0.4 2,-0.4 -0.980 26.2-131.2-125.4 141.9 68.5 30.6 7.6 25 25 A R E >> - c 0 74A 67 -2,-0.4 3,-1.6 -15,-0.3 4,-0.5 -0.746 30.2-126.0 -76.2 138.7 65.5 28.7 6.2 26 26 A L G >4 S+ 0 0 50 48,-2.7 3,-1.7 -2,-0.4 49,-0.1 0.905 109.5 55.4 -52.5 -45.6 65.5 29.2 2.4 27 27 A E G 34 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.0 7,-0.1 0.691 101.1 59.8 -62.4 -22.6 61.9 30.5 2.5 28 28 A D G <4 S+ 0 0 40 -3,-1.6 -1,-0.3 -18,-0.1 -2,-0.2 0.562 87.4 96.5 -81.3 -8.6 62.9 33.2 5.0 29 29 A L S << S- 0 0 1 -3,-1.7 5,-0.1 -4,-0.5 11,-0.0 -0.506 90.5 -89.5 -81.3 151.6 65.4 34.8 2.6 30 30 A P > - 0 0 26 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.179 44.5-108.2 -50.5 148.1 64.7 37.7 0.5 31 31 A E G > S+ 0 0 159 1,-0.3 3,-1.7 2,-0.2 4,-0.1 0.877 119.1 54.8 -56.0 -41.2 63.4 36.6 -2.9 32 32 A S G 3 S+ 0 0 63 1,-0.3 3,-0.5 2,-0.1 8,-0.4 0.757 107.3 52.1 -63.0 -24.2 66.6 37.6 -4.7 33 33 A C G < S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.311 82.1 90.3 -94.5 9.0 68.6 35.4 -2.3 34 34 A R S < S+ 0 0 106 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.410 89.4 48.1 -91.0 2.7 66.5 32.2 -2.7 35 35 A V S S- 0 0 92 -3,-0.5 5,-0.3 -4,-0.1 4,-0.0 -0.973 104.1 -91.0-126.3 158.2 68.7 31.1 -5.6 36 36 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.294 75.3 99.1 -61.6 147.3 72.5 31.0 -5.6 37 37 A G S > S- 0 0 36 1,-0.1 4,-1.8 -4,-0.1 5,-0.1 -0.969 84.3 -57.7 162.4-176.4 73.9 34.2 -7.0 38 38 A E H > S+ 0 0 117 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.901 123.9 55.9 -63.0 -40.1 75.5 37.6 -6.3 39 39 A A H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 109.4 46.7 -59.8 -44.3 72.6 38.9 -4.1 40 40 A R H > S+ 0 0 8 -8,-0.4 4,-2.5 -5,-0.3 -1,-0.2 0.932 112.9 48.4 -63.5 -45.5 72.9 35.9 -1.8 41 41 A D H X S+ 0 0 31 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.957 113.4 48.1 -60.7 -48.9 76.7 36.2 -1.5 42 42 A R H X S+ 0 0 91 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.897 109.6 53.7 -57.7 -44.6 76.3 40.0 -0.8 43 43 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.957 112.1 42.9 -57.3 -50.3 73.6 39.4 1.8 44 44 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.876 110.5 55.2 -69.4 -37.5 75.8 36.9 3.7 45 45 A X H X>S+ 0 0 20 -4,-2.7 4,-2.8 -5,-0.2 5,-2.7 0.978 112.8 44.9 -52.0 -46.7 78.9 39.1 3.4 46 46 A R H <5S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 110.3 51.7 -75.0 -36.7 76.8 41.9 5.0 47 47 A V H <5S+ 0 0 4 -4,-2.7 14,-3.2 1,-0.2 -1,-0.2 0.913 115.6 43.7 -60.1 -45.4 75.2 39.7 7.7 48 48 A I H <5S- 0 0 2 -4,-2.4 14,-2.5 12,-0.3 -2,-0.2 0.854 116.9-114.2 -68.6 -33.6 78.7 38.6 8.7 49 49 A G T <5 - 0 0 13 -4,-2.8 10,-0.3 1,-0.3 8,-0.2 0.638 57.3-177.7 103.5 25.3 80.2 42.0 8.5 50 50 A S < + 0 0 8 -5,-2.7 -1,-0.3 -6,-0.2 44,-0.1 -0.682 48.7 42.3-110.3 160.6 82.6 41.4 5.5 51 51 A P S S+ 0 0 65 0, 0.0 43,-0.3 0, 0.0 -1,-0.1 0.549 76.1 175.3 -75.3 133.5 84.6 42.5 3.8 52 52 A D > - 0 0 18 41,-2.9 3,-1.4 43,-0.1 -2,-0.1 -0.932 26.5-167.9-116.0 112.5 86.2 44.1 6.8 53 53 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 41,-0.1 0.744 93.6 57.8 -64.3 -26.2 89.6 46.0 6.5 54 54 A Y T 3 S- 0 0 202 1,-0.0 40,-0.1 40,-0.0 -2,-0.0 0.544 97.9-141.7 -80.2 -10.5 89.8 46.0 10.3 55 55 A A S < S+ 0 0 60 -3,-1.4 39,-0.1 38,-0.2 -5,-0.1 0.848 75.1 99.6 53.8 40.5 89.6 42.2 10.4 56 56 A A S S- 0 0 47 -7,-0.2 -1,-0.1 37,-0.1 9,-0.0 0.513 75.4-138.9-133.0 -15.7 87.4 42.5 13.6 57 57 A H > + 0 0 7 -8,-0.2 3,-0.9 36,-0.1 -7,-0.1 0.875 48.0 149.1 51.0 41.9 83.7 42.0 12.4 58 58 A I T 3 + 0 0 153 1,-0.2 -1,-0.1 -9,-0.1 -9,-0.1 0.740 69.6 52.4 -73.3 -18.8 82.6 44.7 14.8 59 59 A D T 3 S+ 0 0 122 -10,-0.3 2,-0.3 -11,-0.0 -1,-0.2 -0.171 113.4 28.7-114.5 41.4 79.8 45.5 12.3 60 60 A G S < S- 0 0 31 -3,-0.9 -12,-0.3 2,-0.2 -11,-0.2 -0.967 91.4 -81.0-174.2-171.6 78.3 42.1 11.8 61 61 A X S S+ 0 0 67 -14,-3.2 -13,-0.2 -2,-0.3 -12,-0.2 0.671 90.1 103.0 -82.2 -16.3 77.5 38.7 13.1 62 62 A G - 0 0 10 -14,-2.5 -2,-0.2 -15,-0.2 7,-0.2 -0.036 62.0-149.3 -60.9 162.9 81.0 37.4 12.4 63 63 A G - 0 0 37 5,-1.6 6,-0.1 2,-0.3 -1,-0.1 0.137 44.9-110.3-119.4 18.6 83.7 36.8 15.0 64 64 A A S S+ 0 0 26 4,-0.3 2,-0.3 1,-0.2 5,-0.1 0.699 87.5 98.7 58.3 25.6 86.6 37.5 12.7 65 65 A T S > S- 0 0 67 1,-0.1 3,-1.6 -9,-0.0 -2,-0.3 -0.918 85.4-114.2-129.0 162.6 87.8 33.9 12.7 66 66 A S G > S+ 0 0 83 -2,-0.3 3,-1.2 1,-0.3 25,-0.1 0.917 118.1 57.7 -64.1 -32.2 87.3 31.1 10.2 67 67 A S G 3 S+ 0 0 45 1,-0.3 -47,-2.5 -4,-0.1 -1,-0.3 0.548 113.6 37.8 -68.0 -12.2 85.2 29.3 12.8 68 68 A T G < S+ 0 0 21 -3,-1.6 -5,-1.6 -49,-0.2 -4,-0.3 -0.054 94.5 82.8-133.3 29.3 82.9 32.3 13.2 69 69 A S < + 0 0 0 -3,-1.2 22,-2.6 -7,-0.2 2,-0.4 -0.452 68.1 116.9-133.2 61.7 82.5 33.5 9.6 70 70 A K E - D 0 90A 15 -50,-0.4 -48,-2.0 20,-0.2 2,-0.3 -0.981 40.3-168.6-139.7 139.3 79.8 31.2 8.3 71 71 A C E -cD 22 89A 0 18,-2.2 18,-3.0 -2,-0.4 2,-0.4 -0.960 11.6-161.5-126.5 146.3 76.3 31.2 7.0 72 72 A V E -cD 23 88A 0 -50,-2.5 -48,-2.9 -2,-0.3 2,-0.4 -0.987 6.9-161.5-133.3 133.2 74.0 28.2 6.4 73 73 A I E -cD 24 87A 6 14,-2.2 14,-2.5 -2,-0.4 2,-0.4 -0.973 11.3-173.6-107.9 126.8 70.8 27.7 4.3 74 74 A L E +cD 25 86A 0 -50,-2.3 -48,-2.7 -2,-0.4 2,-0.3 -0.940 10.0 164.9-114.4 143.9 68.5 24.7 5.0 75 75 A S E - D 0 85A 27 10,-1.5 10,-2.9 -2,-0.4 2,-0.2 -0.954 48.7 -79.4-146.2 160.1 65.5 23.8 2.9 76 76 A K E - D 0 84A 124 -2,-0.3 8,-0.3 8,-0.2 2,-0.2 -0.453 62.4-108.3 -57.9 131.5 63.2 20.8 2.5 77 77 A S - 0 0 27 6,-1.6 5,-0.1 43,-0.2 -1,-0.1 -0.429 25.9-167.0 -73.5 141.4 65.1 18.3 0.4 78 78 A S + 0 0 105 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.550 67.5 101.3 -88.2 -14.3 64.3 17.5 -3.2 79 79 A Q S > S- 0 0 77 1,-0.1 3,-1.3 2,-0.0 -2,-0.1 -0.557 85.0-110.6 -81.3 122.1 66.6 14.6 -2.9 80 80 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.281 100.5 19.2 -53.1 137.9 64.9 11.2 -2.4 81 81 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 -4,-0.1 -2,-0.0 0.665 104.8 105.0 75.6 21.9 65.4 9.8 1.1 82 82 A H < - 0 0 28 -3,-1.3 -1,-0.2 1,-0.1 54,-0.2 -0.964 54.1-158.8-134.2 149.0 66.4 13.1 2.7 83 83 A D S S+ 0 0 11 52,-2.6 -6,-1.6 -2,-0.3 2,-0.3 0.846 76.3 15.4 -87.9 -44.9 64.8 15.6 5.0 84 84 A V E -De 76 136A 0 51,-1.7 53,-2.9 -8,-0.3 2,-0.5 -0.977 59.8-133.6-136.3 146.8 66.8 18.7 4.3 85 85 A D E -De 75 137A 24 -10,-2.9 -10,-1.5 -2,-0.3 2,-0.5 -0.885 28.0-156.5 -92.1 136.4 69.3 20.2 1.8 86 86 A Y E -De 74 138A 0 51,-2.6 53,-2.4 -2,-0.5 54,-0.7 -0.960 12.8-179.0-124.4 117.3 72.2 21.8 3.7 87 87 A L E -D 73 0A 41 -14,-2.5 -14,-2.2 -2,-0.5 2,-0.4 -0.978 7.6-162.7-120.8 132.1 74.2 24.5 2.0 88 88 A Y E -D 72 0A 17 -2,-0.4 2,-0.5 14,-0.3 14,-0.2 -0.952 3.0-164.9-124.3 127.9 77.2 26.1 3.8 89 89 A G E -D 71 0A 0 -18,-3.0 -18,-2.2 -2,-0.4 2,-0.7 -0.973 8.9-153.3-112.4 119.5 78.9 29.5 2.8 90 90 A Q E -DF 70 99A 38 9,-2.5 9,-2.8 -2,-0.5 2,-0.6 -0.863 17.9-149.2 -91.9 115.8 82.4 30.4 4.2 91 91 A V E - F 0 98A 1 -22,-2.6 7,-0.2 -2,-0.7 -2,-0.0 -0.749 11.7-128.1 -92.9 119.6 82.5 34.2 4.3 92 92 A S - 0 0 31 5,-2.8 5,-0.2 -2,-0.6 -1,-0.0 -0.358 11.4-144.4 -63.1 146.3 86.0 35.6 3.8 93 93 A I S S+ 0 0 37 -42,-0.1 -41,-2.9 1,-0.1 -38,-0.2 0.941 92.3 18.9 -79.6 -43.8 86.9 38.2 6.5 94 94 A D S S+ 0 0 107 -43,-0.3 -1,-0.1 -44,-0.1 -2,-0.1 0.570 119.0 58.4-111.5 -15.1 88.9 40.6 4.4 95 95 A K S S- 0 0 85 2,-0.1 2,-1.5 -44,-0.0 -43,-0.1 -0.812 86.9-110.9-113.3 154.6 87.8 39.9 0.8 96 96 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.717 75.0 118.7 -83.4 89.9 84.3 40.0 -0.7 97 97 A F - 0 0 123 -2,-1.5 -5,-2.8 -5,-0.2 2,-0.5 -0.971 46.0-164.3-157.1 135.1 84.0 36.3 -1.3 98 98 A V E -F 91 0A 4 -2,-0.3 2,-0.6 -7,-0.2 -7,-0.2 -0.999 19.8-148.7-122.5 125.5 81.7 33.5 -0.1 99 99 A D E +F 90 0A 59 -9,-2.8 -9,-2.5 -2,-0.5 3,-0.2 -0.870 21.9 173.1-102.4 122.9 83.0 30.1 -0.7 100 100 A W + 0 0 57 -2,-0.6 -12,-0.2 -11,-0.2 -1,-0.1 0.235 57.7 90.6-106.0 9.5 80.4 27.4 -1.4 101 101 A S S S+ 0 0 87 -11,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.618 78.7 57.6 -88.2 -12.3 82.9 24.6 -2.3 102 102 A G - 0 0 28 -14,-0.2 2,-0.3 -3,-0.2 -14,-0.3 -0.435 68.2-127.1-106.8 179.0 83.5 23.0 1.1 103 103 A N - 0 0 49 -2,-0.1 2,-0.6 37,-0.1 3,-0.1 -0.969 7.7-147.4-120.5 152.9 81.7 21.3 4.0 104 104 A C > - 0 0 11 -2,-0.3 4,-1.4 1,-0.1 -85,-0.0 -0.955 7.5-170.1-110.3 105.8 81.8 22.1 7.6 105 105 A G H > S+ 0 0 20 -2,-0.6 4,-0.7 2,-0.2 -1,-0.1 0.786 88.0 56.8 -65.6 -28.0 81.4 18.9 9.6 106 106 A N H >> S+ 0 0 33 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.960 106.7 47.0 -69.6 -46.3 81.1 21.0 12.8 107 107 A L H 3> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.720 96.6 75.2 -70.7 -19.3 78.2 23.0 11.4 108 108 A S H 3X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.878 90.7 57.1 -49.9 -41.7 76.5 19.7 10.2 109 109 A T H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 3,-0.9 0.946 114.8 49.7 -67.2 -47.1 69.3 20.6 15.1 114 114 A F H 3X S+ 0 0 4 -4,-3.3 4,-3.2 1,-0.3 6,-0.2 0.828 98.8 66.8 -63.6 -34.7 68.2 23.6 13.0 115 115 A A H 3<>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.3 6,-0.6 0.873 109.3 39.5 -51.8 -39.3 66.3 21.3 10.6 116 116 A L H X<5S+ 0 0 21 -3,-0.9 3,-1.3 -4,-0.8 -2,-0.2 0.901 114.3 49.9 -79.4 -43.9 64.0 20.6 13.6 117 117 A H H 3<5S+ 0 0 60 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.888 111.6 53.2 -60.2 -33.6 63.9 24.1 15.0 118 118 A A T 3<5S- 0 0 8 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.478 109.9-122.3 -82.3 -6.2 63.0 25.3 11.5 119 119 A G T < 5S+ 0 0 60 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.773 72.4 128.8 75.1 26.8 60.1 22.9 11.0 120 120 A L < + 0 0 5 -5,-2.4 2,-0.4 -6,-0.2 -43,-0.2 0.527 44.7 87.4 -96.5 -4.1 61.6 21.3 8.0 121 121 A V S S- 0 0 6 -6,-0.6 5,-0.1 -5,-0.1 -38,-0.0 -0.801 88.6-105.3 -99.8 133.9 61.3 17.6 9.1 122 122 A D > - 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