==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-09 3FXS . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 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 5 2 0 0 0 0 1 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 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 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 I 0 0 85 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 156.4 -38.2 28.9 0.2 2 2 A T + 0 0 131 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.751 360.0 101.4 -83.9 136.2 -40.3 25.8 -0.3 3 3 A G - 0 0 44 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.936 68.1 -59.0 179.8-161.0 -40.0 24.4 -3.9 4 4 A T E -A 24 0A 88 20,-1.9 20,-2.9 -2,-0.3 2,-0.2 -0.925 49.2-109.9-117.7 141.8 -38.5 21.9 -6.2 5 5 A S E +A 23 0A 69 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.488 44.7 168.0 -70.1 132.9 -34.8 21.4 -6.7 6 6 A T E -A 22 0A 32 16,-2.6 16,-2.4 -2,-0.2 2,-0.5 -0.767 32.7-120.0-135.8 175.1 -33.5 22.4 -10.2 7 7 A V E -A 21 0A 89 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.961 27.5-173.0-129.4 115.9 -30.3 23.0 -12.0 8 8 A G E -A 20 0A 1 12,-2.9 12,-2.1 -2,-0.5 2,-0.3 -0.411 11.6-141.9 -94.6 173.0 -29.5 26.5 -13.5 9 9 A V E +Ab 19 61A 21 51,-1.8 53,-3.2 10,-0.3 2,-0.3 -0.989 32.0 134.6-137.2 145.2 -26.6 27.5 -15.7 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.5 -2,-0.3 2,-0.4 -0.947 45.8 -91.5-168.1-170.9 -24.6 30.8 -15.7 11 11 A R E -A 17 0A 108 51,-1.9 60,-0.2 -2,-0.3 6,-0.2 -0.967 32.1-141.5-123.5 135.3 -21.2 32.5 -15.9 12 12 A G > - 0 0 4 4,-2.4 3,-1.8 -2,-0.4 56,-0.2 -0.087 41.7 -78.2 -85.3-169.2 -19.1 33.5 -12.9 13 13 A V T 3 S+ 0 0 28 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.807 129.6 49.1 -61.9 -35.2 -17.0 36.5 -12.4 14 14 A L T 3 S- 0 0 91 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.289 121.6-102.7 -92.3 7.1 -14.1 35.2 -14.5 15 15 A G S < S+ 0 0 49 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.555 74.0 141.2 89.6 8.3 -16.4 34.3 -17.4 16 16 A D - 0 0 59 1,-0.0 -4,-2.4 0, 0.0 2,-0.4 -0.632 49.6-125.5 -83.8 136.5 -16.5 30.6 -16.8 17 17 A Q E +A 11 0A 131 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.629 37.2 164.6 -84.5 136.1 -19.7 28.6 -17.3 18 18 A K E -A 10 0A 14 -8,-2.5 -8,-2.1 -2,-0.4 2,-0.3 -0.992 34.9-120.8-146.3 153.4 -20.9 26.5 -14.4 19 19 A N E -A 9 0A 101 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.702 30.6-163.6 -86.5 148.6 -24.1 24.8 -13.4 20 20 A I E -A 8 0A 3 -12,-2.1 -12,-2.9 -2,-0.3 2,-0.4 -0.985 22.8-113.9-138.1 146.9 -25.7 25.8 -10.0 21 21 A N E +A 7 0A 41 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.633 44.8 171.4 -78.3 123.8 -28.3 24.2 -7.8 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.6 -2,-0.4 2,-0.4 -0.728 28.6-128.3-128.2 176.2 -31.5 26.3 -7.6 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.1 -18,-0.2 2,-0.5 -0.999 18.9-144.2-131.1 128.6 -35.0 26.1 -6.2 24 24 A Y E +AC 4 28A 93 -20,-2.9 -20,-1.9 -2,-0.4 4,-0.2 -0.830 40.2 135.3-101.3 128.5 -38.1 26.7 -8.3 25 25 A S S S- 0 0 43 2,-2.8 2,-2.3 -2,-0.5 -2,-0.0 -0.545 95.3 -46.3-164.5 93.0 -41.2 28.4 -6.9 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.416 140.3 35.8 71.5 -57.8 -42.6 31.0 -9.4 27 27 A Y S S- 0 0 113 -2,-2.3 -2,-2.8 -4,-0.1 2,-0.6 -0.683 94.0-110.0-105.4 166.8 -39.0 32.3 -9.7 28 28 A Y E -CD 24 57A 58 29,-3.0 29,-2.1 -2,-0.2 2,-0.3 -0.933 40.2-159.9 -95.3 119.0 -35.7 30.3 -9.7 29 29 A Y E -CD 23 56A 44 -6,-3.1 2,-2.2 -2,-0.6 -6,-1.9 -0.722 28.4-114.0-101.8 148.8 -33.9 31.0 -6.4 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.3 11,-0.4 2,-0.4 -0.552 71.7 130.2 -75.5 79.8 -30.2 30.6 -5.6 31 31 A Q E -E 40 0B 11 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.932 44.0-160.2-139.6 110.3 -31.1 27.9 -3.0 32 32 A D E > +E 39 0B 2 7,-2.9 7,-1.5 -2,-0.4 3,-0.6 -0.860 11.0 179.2 -94.9 109.9 -29.1 24.7 -3.2 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.444 67.6 79.6 -92.2 1.9 -31.0 21.9 -1.4 34 34 A T T 3 S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.569 84.2 63.7 -87.8 -10.7 -28.4 19.2 -2.2 35 35 A R S X S- 0 0 48 -3,-0.6 3,-2.5 4,-0.1 -1,-0.1 -0.946 111.5 -65.6-119.5 114.4 -26.0 20.2 0.5 36 36 A G T 3 S- 0 0 28 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.107 111.7 -17.9 51.5-135.4 -26.9 20.0 4.2 37 37 A N T 3 S- 0 0 113 60,-1.1 -1,-0.3 1,-0.3 62,-0.2 0.199 120.2 -74.5 -93.5 22.4 -29.7 22.3 5.2 38 38 A G < - 0 0 2 -3,-2.5 62,-2.3 60,-0.1 2,-0.4 0.024 29.4-114.6 112.2 145.8 -29.1 24.4 2.2 39 39 A I E -Ef 32 100B 1 -7,-1.5 -7,-2.9 60,-0.2 2,-0.4 -0.992 36.3-171.6-116.2 125.6 -26.9 26.9 0.5 40 40 A F E -Ef 31 101B 21 60,-2.7 62,-2.2 -2,-0.4 2,-0.4 -0.986 8.8-163.4-127.3 126.5 -28.6 30.3 0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.9 -2,-0.4 -11,-0.4 -0.944 11.3-166.5-120.4 135.0 -27.4 33.3 -1.9 42 42 A Y E -Gf 54 103B 26 60,-2.9 62,-2.5 -2,-0.4 2,-0.6 -0.795 21.1-125.3-122.0 155.5 -28.8 36.8 -1.5 43 43 A D E -Gf 53 104B 19 10,-2.6 10,-2.1 -2,-0.3 62,-0.2 -0.925 14.7-174.8-100.5 114.5 -28.7 40.2 -3.3 44 44 A A > - 0 0 5 60,-2.8 3,-2.2 -2,-0.6 5,-0.3 0.490 31.9-141.3 -86.6 -4.7 -27.6 43.1 -1.1 45 45 A K T 3 - 0 0 107 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.787 61.5 -58.2 54.7 39.2 -28.4 45.5 -4.0 46 46 A Y T 3 S+ 0 0 106 59,-2.6 -1,-0.3 1,-0.3 60,-0.2 0.505 117.4 102.9 69.8 8.2 -25.4 47.8 -3.4 47 47 A R S < S- 0 0 180 -3,-2.2 60,-2.3 58,-0.3 -1,-0.3 -0.461 74.8-123.0-110.2-171.8 -26.6 48.6 0.1 48 48 A T + 0 0 76 58,-0.2 2,-0.4 -2,-0.1 -3,-0.1 0.306 69.4 113.1-120.1 9.9 -25.4 47.4 3.5 49 49 A T S S- 0 0 107 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.704 70.4-101.4 -80.9 129.6 -28.6 45.9 5.1 50 50 A L S S- 0 0 52 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.869 81.8 -3.0-119.4 146.4 -28.1 42.1 5.4 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.997 80.5-168.9 -84.1 -9.7 -28.8 39.6 4.1 52 52 A G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.718 48.3 -22.3 89.1-151.2 -30.9 41.4 1.5 53 53 A S E -G 43 0B 53 -10,-2.1 -10,-2.6 -2,-0.3 -8,-0.1 -0.829 66.8-106.1-105.9 138.0 -33.2 39.4 -0.7 54 54 A L E -G 42 0B 36 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.3 -0.342 55.4 -95.9 -55.5 134.1 -32.9 35.7 -1.6 55 55 A W - 0 0 10 -14,-2.9 -25,-2.0 -25,-0.3 2,-0.4 -0.379 48.7-171.8 -68.9 122.1 -31.6 35.7 -5.2 56 56 A A E +D 29 0A 45 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.925 8.5 178.7-117.4 134.8 -34.5 35.3 -7.7 57 57 A D E -D 28 0A 23 -29,-2.1 -29,-3.0 -2,-0.4 3,-0.1 -0.997 25.3-141.5-138.3 137.0 -34.2 34.8 -11.4 58 58 A A S S+ 0 0 76 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.782 95.1 22.2 -74.6 -28.0 -37.1 34.4 -13.9 59 59 A D S S- 0 0 98 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.361 97.0-112.6-126.2 7.6 -35.5 31.7 -16.2 60 60 A N S S+ 0 0 15 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.645 80.4 118.8 71.2 15.0 -32.8 29.8 -14.3 61 61 A Q E -b 9 0A 91 -53,-0.2 2,-0.3 -33,-0.0 -2,-0.3 -0.967 42.6-172.1-114.2 130.0 -30.1 31.3 -16.6 62 62 A F E +b 10 0A 0 -53,-3.2 -51,-1.9 -2,-0.5 9,-0.1 -0.506 41.3 120.5-124.7 62.7 -27.5 33.4 -14.9 63 63 A F + 0 0 57 -2,-0.3 -1,-0.2 -53,-0.3 -53,-0.1 0.366 39.3 109.8-106.2 1.2 -25.4 35.0 -17.6 64 64 A A S >> S- 0 0 52 -3,-0.2 4,-1.1 1,-0.1 3,-0.8 -0.411 77.2-119.1 -71.2 152.2 -25.9 38.7 -16.9 65 65 A S G >4 S+ 0 0 117 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.896 116.5 56.6 -58.0 -37.5 -22.9 40.7 -15.6 66 66 A Y G 34 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.741 104.6 54.2 -64.1 -28.0 -24.9 41.5 -12.4 67 67 A D G X> S+ 0 0 16 -3,-0.8 4,-2.3 1,-0.2 3,-0.7 0.752 86.0 84.5 -77.9 -25.7 -25.5 37.7 -11.9 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.862 113.7 50.2 -62.2 -32.0 -20.8 37.4 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.3 0.912 106.8 53.4 -70.4 -44.2 -23.9 35.5 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 -60,-0.2 5,-0.2 0.942 114.7 41.6 -52.8 -50.3 -23.1 32.5 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.889 112.1 52.4 -73.7 -37.8 -19.6 32.2 -7.9 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.927 116.5 42.6 -58.5 -42.1 -20.6 32.9 -4.2 74 74 A H H X S+ 0 0 4 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.943 118.5 42.4 -67.6 -52.8 -23.2 30.1 -4.6 75 75 A Y H X S+ 0 0 95 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.923 115.1 47.8 -66.3 -44.3 -21.0 27.6 -6.5 76 76 A Y H X S+ 0 0 26 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.824 105.9 58.8 -74.8 -22.8 -17.8 28.1 -4.4 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.4 -1,-0.2 0.916 107.8 48.7 -61.1 -40.7 -19.8 27.8 -1.2 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.915 108.9 50.9 -64.8 -40.6 -20.8 24.4 -2.5 79 79 A V H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.935 111.8 48.2 -61.6 -40.9 -17.2 23.5 -3.3 80 80 A T H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.922 110.1 51.2 -66.1 -42.2 -16.2 24.5 0.2 81 81 A Y H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 11,-0.3 0.920 110.7 50.4 -52.9 -51.7 -19.1 22.4 1.7 82 82 A D H X S+ 0 0 40 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.896 107.7 53.4 -61.6 -39.7 -17.8 19.5 -0.4 83 83 A Y H X>S+ 0 0 10 -4,-2.4 4,-2.8 1,-0.2 5,-0.7 0.977 111.3 43.0 -61.2 -51.3 -14.3 19.9 0.8 84 84 A Y H X5S+ 0 0 7 -4,-2.3 6,-2.6 3,-0.2 4,-1.4 0.915 119.2 44.5 -65.4 -35.8 -15.1 19.8 4.5 85 85 A K H X5S+ 0 0 89 -4,-2.4 4,-1.3 4,-0.3 -2,-0.2 0.968 121.6 35.4 -70.5 -51.9 -17.5 16.9 4.1 86 86 A N H <5S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.830 128.5 33.9 -74.7 -33.6 -15.5 14.7 1.8 87 87 A V H <5S+ 0 0 50 -4,-2.8 -3,-0.2 -5,-0.4 -1,-0.2 0.809 135.5 17.8 -95.1 -31.6 -12.0 15.5 3.2 88 88 A H H < - 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0 0 60 -122,-0.1 3,-1.6 -120,-0.0 -120,-0.1 -0.707 39.5 -89.6-124.2 173.3 -8.5 27.3 22.2 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.842 125.2 39.6 -55.9 -30.7 -9.6 31.0 22.0 278 278 A T T 3 S+ 0 0 95 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.253 80.2 144.6-106.3 16.4 -6.4 32.3 23.4 279 279 A S < - 0 0 5 -3,-1.6 -115,-0.2 -126,-0.1 2,-0.2 -0.274 31.9-158.8 -55.1 133.0 -3.9 30.0 21.7 280 280 A N > - 0 0 62 -120,-0.1 4,-2.5 -119,-0.1 5,-0.2 -0.432 36.7 -88.4-102.4-178.7 -0.6 31.8 20.9 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.909 127.3 50.5 -61.6 -40.8 2.0 30.7 18.3 282 282 A S H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 110.7 50.6 -62.9 -37.4 3.9 28.5 20.7 283 283 A Q H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.863 107.1 53.7 -68.4 -33.3 0.7 26.8 21.7 284 284 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.923 105.1 54.9 -63.4 -41.3 -0.2 26.3 18.0 285 285 A R H X S+ 0 0 36 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.960 111.0 45.2 -55.5 -45.0 3.2 24.6 17.6 286 286 A A H X S+ 0 0 60 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.903 112.3 50.8 -64.7 -42.2 2.3 22.2 20.4 287 287 A A H X S+ 0 0 9 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.909 112.0 47.1 -61.3 -42.2 -1.1 21.6 19.1 288 288 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.908 111.8 50.3 -66.1 -41.4 0.2 20.8 15.6 289 289 A V H X S+ 0 0 25 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.941 112.3 47.3 -63.0 -43.4 2.9 18.5 17.0 290 290 A Q H X S+ 0 0 84 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.905 110.8 51.6 -68.0 -33.4 0.3 16.6 19.1 291 291 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.937 111.2 47.0 -66.9 -39.4 -2.1 16.3 16.1 292 292 A A H X>S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.6 0.891 110.9 53.7 -69.7 -35.5 0.7 14.9 14.0 293 293 A T H X5S+ 0 0 37 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.952 110.0 46.9 -61.2 -51.6 1.6 12.5 16.9 294 294 A D H <5S+ 0 0 64 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.914 120.1 38.1 -51.7 -47.4 -2.0 11.3 17.1 295 295 A L H <5S+ 0 0 67 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.845 135.5 12.3 -79.0 -35.2 -2.3 10.8 13.3 296 296 A Y H <5S- 0 0 69 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.489 107.9 -97.4-128.8 -9.8 1.1 9.4 12.4 297 297 A G ><< - 0 0 29 -4,-1.9 3,-2.0 -5,-0.6 6,-0.4 0.094 33.7 -86.4 99.4 148.6 3.0 8.5 15.6 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.769 126.1 46.4 -61.9 -31.3 5.5 10.2 17.8 299 299 A T T 3 S+ 0 0 142 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.244 89.8 124.3 -95.4 14.3 8.5 8.9 15.8 300 300 A S S <> S- 0 0 15 -3,-2.0 4,-1.7 1,-0.1 -3,-0.1 -0.213 71.2-125.0 -72.8 162.6 7.0 9.9 12.4 301 301 A Q H > S+ 0 0 87 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.842 111.6 64.0 -62.3 -33.8 8.4 12.0 9.7 302 302 A E H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.930 104.4 43.1 -59.8 -48.5 5.2 14.0 10.0 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.0 -11,-0.2 -1,-0.2 0.910 114.4 50.7 -65.0 -42.7 6.0 15.1 13.6 304 304 A A H X S+ 0 0 37 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.897 110.2 49.9 -63.9 -36.8 9.6 15.8 12.8 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.856 107.4 53.6 -69.2 -37.7 8.6 18.0 9.8 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 5,-0.2 0.943 110.9 47.2 -59.2 -42.1 6.1 20.0 11.8 307 307 A K H X S+ 0 0 94 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.951 110.2 51.6 -66.6 -46.3 8.9 20.7 14.3 308 308 A Q H X S+ 0 0 49 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.888 109.1 52.9 -51.4 -42.9 11.3 21.6 11.6 309 309 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.942 109.9 44.4 -67.5 -43.2 8.8 24.0 10.2 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.3 0.896 112.5 53.6 -68.3 -36.7 8.1 25.9 13.4 311 311 A D H ><5S+ 0 0 83 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.945 104.2 56.8 -58.3 -44.6 11.9 26.0 14.1 312 312 A A H 3<5S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 110.2 43.0 -58.8 -31.5 12.4 27.6 10.6 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-2.8 -3,-0.3 -1,-0.3 0.339 119.3-107.6 -99.2 12.7 10.0 30.5 11.5 314 314 A G T < 5S+ 0 0 26 -3,-1.7 2,-0.6 -4,-0.3 -3,-0.2 0.748 73.2 137.2 81.2 19.0 11.4 31.0 15.0 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.881 360.0 360.0-105.7 116.6 8.4 29.6 16.9 316 316 A K 0 0 197 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.614 360.0 360.0-109.7 360.0 9.3 27.3 19.8