==== 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 03-OCT-07 2ZAD . COMPND 2 MOLECULE: MUCONATE CYCLOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR B.PADMANABHAN,Y.BESSHO,S.YOKOYAMA,RIKEN STRUCTURAL . 1376 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 997 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 10.5 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 78 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 445 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.7 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 8 0 4 0 8 1 7 0 0 8 8 0 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 12 8 4 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 . 8 0 8 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 8 0 0 0 0 0 4 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 S 0 0 26 0, 0.0 77,-2.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 169.9 22.5 17.1 58.6 2 3 A R B -A 77 0A 131 75,-0.3 37,-2.2 1,-0.1 75,-0.3 -0.459 360.0-112.1 -86.2 141.7 25.8 15.8 59.9 3 4 A I E +B 38 0B 2 73,-2.6 72,-2.5 70,-0.3 35,-0.3 -0.500 34.0 174.2 -62.9 128.6 28.7 14.4 57.9 4 5 A V E + 0 0 78 33,-3.2 2,-0.3 1,-0.3 34,-0.2 0.598 63.2 12.2-111.1 -19.8 29.0 10.7 58.5 5 6 A N E -B 37 0B 66 32,-1.6 32,-2.5 68,-0.1 2,-0.4 -0.994 51.0-162.6-152.7 155.8 31.8 9.8 56.0 6 7 A V E -B 36 0B 0 -2,-0.3 2,-0.4 30,-0.2 30,-0.2 -0.983 16.1-168.3-136.4 126.9 34.4 11.4 53.8 7 8 A K E -B 35 0B 91 28,-2.8 28,-2.5 -2,-0.4 2,-0.4 -0.961 7.6-164.0-120.8 135.4 36.0 9.4 50.9 8 9 A L E +B 34 0B 5 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.941 14.5 177.8-110.1 135.5 39.0 10.3 48.8 9 10 A S E -B 33 0B 41 24,-2.0 24,-2.9 -2,-0.4 2,-0.4 -0.999 29.8-119.9-140.4 139.0 39.7 8.5 45.5 10 11 A L E -B 32 0B 77 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.606 30.5-175.9 -70.9 127.0 42.3 8.7 42.8 11 12 A K E -B 31 0B 67 20,-3.0 20,-3.0 -2,-0.4 2,-0.4 -0.998 8.2-157.1-126.1 128.4 40.8 9.5 39.4 12 13 A R E -B 30 0B 167 -2,-0.4 2,-0.4 18,-0.2 18,-0.2 -0.862 7.8-173.2-107.0 138.4 43.0 9.7 36.2 13 14 A Y E -B 29 0B 39 16,-2.4 16,-3.0 -2,-0.4 2,-0.2 -0.986 15.2-142.3-134.4 120.0 42.1 11.6 33.1 14 15 A E E -B 28 0B 86 -2,-0.4 310,-3.5 310,-0.4 14,-0.3 -0.582 16.7-128.3 -84.2 143.0 44.2 11.4 29.9 15 16 A Y E -D 323 0C 31 12,-2.7 308,-0.3 308,-0.3 -1,-0.1 -0.568 13.1-127.8 -84.5 153.1 44.7 14.4 27.7 16 17 A E E S- 0 0 127 306,-2.1 307,-0.1 1,-0.2 -1,-0.1 0.837 94.9 -6.1 -63.6 -36.0 44.0 14.4 23.9 17 18 A K E S- 0 0 114 305,-0.4 -1,-0.2 9,-0.1 9,-0.1 -0.971 96.7 -71.7-152.9 159.7 47.6 15.8 23.5 18 19 A P E - 0 0 83 0, 0.0 2,-0.7 0, 0.0 9,-0.2 -0.272 41.9-138.6 -56.1 134.5 50.4 17.0 25.8 19 20 A F E -B 26 0B 49 7,-3.4 7,-1.9 116,-0.1 2,-0.5 -0.878 20.8-166.0-100.1 113.3 49.8 20.4 27.5 20 21 A H E +B 25 0B 49 -2,-0.7 116,-3.0 116,-0.3 2,-0.3 -0.896 17.7 155.6-108.9 120.4 52.9 22.5 27.4 21 22 A I E > -B 24 0B 12 3,-3.1 3,-2.3 -2,-0.5 141,-0.1 -0.823 59.1 -55.4-128.3 171.9 53.3 25.6 29.5 22 23 A T T 3 S- 0 0 20 139,-0.5 140,-0.0 1,-0.3 3,-0.0 -0.297 124.8 -6.1 -52.8 117.4 56.4 27.5 30.9 23 24 A G T 3 S+ 0 0 68 -2,-0.1 2,-0.3 1,-0.0 -1,-0.3 0.481 124.2 76.3 79.0 5.2 58.4 24.9 32.9 24 25 A S E < -B 21 0B 46 -3,-2.3 -3,-3.1 2,-0.0 2,-0.4 -0.971 45.3-179.2-154.0 131.1 55.8 22.1 32.6 25 26 A V E +B 20 0B 91 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.999 17.9 175.0-126.0 133.4 54.6 19.5 30.1 26 27 A S E -B 19 0B 44 -7,-1.9 -7,-3.4 -2,-0.4 -9,-0.1 -0.990 25.5-177.5-139.7 147.3 51.8 17.1 31.1 27 28 A S E S+ 0 0 66 -2,-0.3 -12,-2.7 -9,-0.2 2,-0.3 0.320 73.9 36.1-121.5 3.3 49.7 14.4 29.3 28 29 A E E -B 14 0B 49 -14,-0.3 2,-0.5 -9,-0.1 -14,-0.2 -0.992 64.0-137.1-158.8 145.3 47.4 13.4 32.2 29 30 A S E -B 13 0B 6 -16,-3.0 -16,-2.4 -2,-0.3 2,-0.7 -0.953 13.7-165.9-108.5 121.6 45.5 14.8 35.1 30 31 A R E +B 12 0B 98 -2,-0.5 -18,-0.2 -18,-0.2 2,-0.2 -0.917 23.2 174.4-107.6 106.9 45.6 12.7 38.3 31 32 A N E -B 11 0B 1 -20,-3.0 -20,-3.0 -2,-0.7 2,-0.6 -0.662 31.2-129.3-112.0 164.3 42.9 14.1 40.6 32 33 A V E -BC 10 48B 0 16,-2.9 16,-3.2 -2,-0.2 2,-0.3 -0.961 20.5-152.0-116.8 115.6 41.4 13.3 43.9 33 34 A E E -BC 9 47B 10 -24,-2.9 -24,-2.0 -2,-0.6 2,-0.5 -0.687 9.0-152.4 -86.3 136.7 37.6 13.1 44.1 34 35 A V E -BC 8 46B 0 12,-2.9 12,-2.3 -2,-0.3 2,-0.5 -0.956 9.7-170.9-112.7 128.5 36.0 13.8 47.4 35 36 A E E -BC 7 45B 46 -28,-2.5 -28,-2.8 -2,-0.5 2,-0.5 -0.981 3.3-166.0-117.6 123.6 32.7 12.4 48.5 36 37 A I E -BC 6 44B 0 8,-2.9 8,-2.5 -2,-0.5 2,-0.5 -0.947 8.2-161.3-105.8 126.3 31.0 13.7 51.6 37 38 A V E -BC 5 43B 26 -32,-2.5 -33,-3.2 -2,-0.5 -32,-1.6 -0.930 4.8-155.2-111.6 130.6 28.1 11.5 52.9 38 39 A L E > -B 3 0B 3 4,-3.0 3,-2.0 -2,-0.5 -35,-0.2 -0.630 30.3-112.2-100.0 162.9 25.5 12.9 55.3 39 40 A E T 3 S+ 0 0 93 -37,-2.2 -36,-0.1 1,-0.3 -1,-0.1 0.757 118.3 61.8 -62.7 -25.2 23.3 11.1 57.8 40 41 A S T 3 S- 0 0 66 -38,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.621 121.1-109.6 -70.5 -15.2 20.3 12.1 55.6 41 42 A G S < S+ 0 0 48 -3,-2.0 -2,-0.1 1,-0.4 -1,-0.1 0.218 73.2 141.8 97.4 -13.1 21.9 10.0 52.8 42 43 A V - 0 0 31 -5,-0.1 -4,-3.0 66,-0.0 2,-0.4 -0.370 36.9-155.5 -61.3 138.7 22.7 13.1 50.8 43 44 A K E -C 37 0B 96 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.985 7.4-167.3-121.5 127.9 26.1 12.9 49.0 44 45 A G E -C 36 0B 0 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.4 -0.899 9.7-153.4-113.3 148.3 28.2 15.9 48.0 45 46 A Y E +C 35 0B 62 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.947 18.3 164.7-130.1 141.3 31.1 15.8 45.6 46 47 A G E -C 34 0B 0 -12,-2.3 -12,-2.9 -2,-0.4 2,-0.4 -0.873 21.1-140.5-138.1 171.9 34.3 17.8 45.0 47 48 A E E -C 33 0B 0 -2,-0.3 2,-0.6 -14,-0.2 -14,-0.2 -0.992 2.1-153.0-140.9 132.4 37.5 17.3 43.1 48 49 A A E -C 32 0B 0 -16,-3.2 -16,-2.9 -2,-0.4 49,-0.1 -0.926 8.3-174.3-101.4 119.2 41.1 18.3 44.0 49 50 A S - 0 0 3 -2,-0.6 244,-0.2 -18,-0.2 245,-0.2 -0.888 24.6-149.4-110.2 95.7 43.3 18.8 41.0 50 51 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -20,-0.1 -0.193 9.0-151.1 -71.6 154.8 46.7 19.3 42.7 51 52 A S >> - 0 0 15 215,-0.2 4,-1.8 1,-0.1 6,-1.6 -0.936 14.4-177.2-127.8 113.1 49.6 21.5 41.4 52 53 A F H >5S+ 0 0 127 -2,-0.4 4,-0.8 4,-0.3 -1,-0.1 0.920 90.3 48.7 -65.7 -43.1 53.2 20.7 42.3 53 54 A R H 45S+ 0 0 61 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.881 126.5 23.4 -66.4 -41.2 54.4 23.8 40.4 54 55 A V H 45S+ 0 0 1 3,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.882 138.5 21.8 -94.4 -43.8 52.0 26.2 42.0 55 56 A N H <5S- 0 0 19 -4,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.496 94.1-122.0-107.0 -9.8 50.9 24.7 45.3 56 57 A G << + 0 0 50 -4,-0.8 -4,-0.3 -5,-0.8 -3,-0.1 0.523 63.8 146.1 77.8 8.7 53.8 22.3 46.0 57 58 A E - 0 0 7 -6,-1.6 2,-0.4 4,-0.0 -1,-0.2 -0.366 37.2-161.5 -82.2 155.0 51.3 19.4 46.1 58 59 A R >> - 0 0 109 -3,-0.1 4,-1.8 1,-0.1 3,-0.9 -0.999 23.7-132.8-131.7 136.4 51.6 15.8 45.0 59 60 A V H 3> S+ 0 0 8 -2,-0.4 4,-2.4 1,-0.3 5,-0.2 0.857 107.2 58.0 -55.0 -39.3 48.5 13.6 44.4 60 61 A E H 3> S+ 0 0 93 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.841 106.5 50.8 -55.7 -39.1 50.1 10.7 46.5 61 62 A A H <> S+ 0 0 40 -3,-0.9 4,-0.7 2,-0.2 -1,-0.2 0.903 107.3 50.8 -71.5 -43.3 50.2 13.1 49.4 62 63 A L H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.952 111.2 48.8 -55.2 -50.3 46.6 14.2 49.2 63 64 A L H >< S+ 0 0 48 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.858 103.0 63.8 -59.8 -33.0 45.5 10.6 49.1 64 65 A A H 3< S+ 0 0 83 -4,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.691 98.0 54.6 -64.9 -22.5 47.6 9.9 52.2 65 66 A I T S+ 0 0 35 -3,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.918 77.1 49.2 -51.1 -48.6 42.2 10.8 53.9 67 68 A N H > S+ 0 0 86 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.905 110.4 50.3 -64.3 -40.6 41.8 9.7 57.5 68 69 A A H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.918 110.7 48.8 -59.7 -47.7 42.9 13.1 58.9 69 70 A V H X S+ 0 0 2 -4,-2.4 4,-1.2 2,-0.2 5,-0.2 0.938 111.7 50.6 -58.4 -46.4 40.4 14.9 56.6 70 71 A R H >X S+ 0 0 54 -4,-2.5 4,-2.2 -5,-0.2 3,-0.6 0.929 111.7 46.4 -56.3 -50.0 37.6 12.5 57.7 71 72 A E H 3< S+ 0 0 136 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.834 106.3 61.0 -64.9 -31.7 38.4 13.0 61.4 72 73 A X H 3< S+ 0 0 59 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.808 121.9 16.2 -67.1 -31.2 38.5 16.8 61.0 73 74 A I H X< S+ 0 0 0 -4,-1.2 3,-1.9 -3,-0.6 -70,-0.3 0.531 86.3 121.1-124.8 -7.8 34.9 17.2 59.8 74 75 A T T 3< S+ 0 0 61 -4,-2.2 -70,-0.2 1,-0.2 3,-0.1 -0.354 80.3 26.0 -61.3 135.0 33.0 14.1 60.6 75 76 A G T 3 S+ 0 0 44 -72,-2.5 2,-0.4 1,-0.3 -1,-0.2 0.252 91.0 122.7 95.2 -11.1 30.0 14.9 62.8 76 77 A I < - 0 0 33 -3,-1.9 -73,-2.6 -74,-0.1 2,-0.4 -0.677 64.0-124.4 -85.5 136.7 29.7 18.5 61.7 77 78 A D B > -A 2 0A 31 -2,-0.4 3,-2.0 -75,-0.3 -75,-0.3 -0.649 13.0-134.9 -77.4 130.2 26.3 19.6 60.2 78 79 A V G > S+ 0 0 0 -77,-2.1 3,-0.7 -2,-0.4 -1,-0.1 0.702 102.1 72.0 -62.5 -16.8 26.7 21.1 56.8 79 80 A R G 3 S+ 0 0 91 1,-0.3 2,-0.6 -78,-0.2 -1,-0.3 0.795 92.2 57.9 -67.6 -24.9 24.4 23.9 57.8 80 81 A N G X> S+ 0 0 11 -3,-2.0 3,-1.7 1,-0.2 4,-1.2 -0.359 71.3 150.6 -91.4 51.1 27.3 25.1 59.9 81 82 A Y H <> + 0 0 41 -3,-0.7 4,-2.6 -2,-0.6 -1,-0.2 0.790 60.4 65.1 -63.3 -28.0 29.4 25.3 56.8 82 83 A A H 3> S+ 0 0 13 385,-2.6 4,-2.4 -3,-0.3 -1,-0.3 0.829 99.6 53.6 -61.2 -31.4 31.5 28.2 58.2 83 84 A R H <> S+ 0 0 70 -3,-1.7 4,-2.3 384,-0.6 -1,-0.2 0.921 110.0 46.8 -67.7 -42.9 32.8 25.8 60.8 84 85 A I H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.887 111.5 51.9 -62.6 -40.8 33.8 23.4 58.1 85 86 A F H X S+ 0 0 16 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.931 110.8 47.2 -63.9 -43.7 35.5 26.2 56.1 86 87 A E H < S+ 0 0 96 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.901 113.6 47.9 -64.0 -42.7 37.5 27.3 59.1 87 88 A I H >< S+ 0 0 25 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.947 113.3 47.3 -61.7 -46.9 38.6 23.8 59.9 88 89 A T H >< S+ 0 0 2 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.669 92.9 76.2 -75.6 -14.4 39.6 23.1 56.3 89 90 A D T 3< S+ 0 0 44 -4,-1.4 3,-0.5 1,-0.3 -1,-0.3 0.723 83.8 70.1 -62.9 -19.1 41.5 26.4 56.1 90 91 A R T < S+ 0 0 152 -3,-1.6 2,-0.4 -4,-0.4 3,-0.4 0.670 80.0 77.0 -69.5 -15.7 44.0 24.4 58.2 91 92 A L X + 0 0 13 -3,-1.9 3,-1.9 1,-0.2 7,-0.4 -0.132 53.2 133.2 -85.2 39.3 44.7 22.4 55.0 92 93 A F T 3 + 0 0 172 -3,-0.5 -1,-0.2 -2,-0.4 -2,-0.1 0.694 69.5 56.9 -66.3 -18.4 46.8 25.3 53.5 93 94 A G T 3 S+ 0 0 44 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.544 114.2 39.6 -83.0 -10.5 49.4 22.7 52.5 94 95 A F S X> S+ 0 0 52 -3,-1.9 4,-2.4 1,-0.1 3,-0.8 -0.473 71.4 159.8-132.7 58.6 46.7 20.9 50.5 95 96 A P H 3> S+ 0 0 7 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.787 72.0 56.4 -62.8 -28.7 44.8 23.7 49.0 96 97 A S H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -47,-0.1 0.873 111.3 44.3 -67.5 -35.2 43.2 21.6 46.2 97 98 A L H <> S+ 0 0 0 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.875 109.1 56.8 -74.2 -39.7 41.8 19.3 48.8 98 99 A K H X S+ 0 0 11 -4,-2.4 4,-2.5 -7,-0.4 172,-0.2 0.964 110.5 45.8 -48.9 -54.5 40.7 22.3 50.9 99 100 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.913 112.3 49.5 -55.3 -50.0 38.8 23.4 47.8 100 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.893 113.2 45.7 -60.4 -43.8 37.3 20.0 47.1 101 102 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.930 113.5 49.3 -67.5 -43.0 36.1 19.5 50.7 102 103 A Q H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.917 114.4 45.1 -63.4 -41.6 34.6 23.0 50.9 103 104 A F H X S+ 0 0 1 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.937 109.2 54.5 -68.6 -43.8 32.8 22.6 47.6 104 105 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.875 106.3 55.3 -55.1 -36.9 31.5 19.1 48.5 105 106 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.924 110.8 42.5 -59.9 -49.3 30.1 20.6 51.7 106 107 A L H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.819 111.1 56.5 -67.0 -33.9 28.1 23.2 49.7 107 108 A D H X S+ 0 0 7 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.932 113.0 41.1 -62.5 -45.6 27.1 20.5 47.2 108 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.935 115.9 49.4 -66.3 -47.7 25.6 18.5 50.0 109 110 A L H X S+ 0 0 8 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.928 108.0 53.4 -57.9 -47.7 24.1 21.5 51.8 110 111 A S H X>S+ 0 0 3 -4,-2.7 5,-2.9 1,-0.2 4,-0.5 0.891 107.7 51.6 -59.8 -37.5 22.4 22.8 48.6 111 112 A Q H ><5S+ 0 0 79 -4,-1.4 3,-1.1 1,-0.2 -1,-0.2 0.929 108.4 51.1 -63.3 -41.9 20.7 19.5 48.0 112 113 A E H 3<5S+ 0 0 61 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 112.6 46.7 -65.7 -26.9 19.4 19.5 51.6 113 114 A L H 3<5S- 0 0 27 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.436 114.9-116.8 -92.5 -3.8 18.0 23.0 51.0 114 115 A G T <<5S+ 0 0 70 -3,-1.1 -3,-0.2 -4,-0.5 2,-0.2 0.796 81.9 89.2 74.3 29.9 16.5 22.0 47.6 115 116 A T S > - 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