==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-NOV-11 3UGK . COMPND 2 MOLECULE: SACCHAROPINE DEHYDROGENASE [NAD+, L-LYSINE-FORMIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR P.F.COOK,V.P.KUMAR,L.M.THOMAS,A.H.WEST,K.D.BOBYK . 372 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.9 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 . 1 0.3 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 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 26.1 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+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 3 0 1 0 0 1 0 1 0 1 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 5 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 . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 134 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.1 -55.6 12.6 -9.0 2 3 A A - 0 0 89 1,-0.1 2,-0.3 31,-0.0 31,-0.1 -0.498 360.0-131.8 -73.8 138.7 -52.3 14.5 -9.7 3 4 A V - 0 0 9 -2,-0.2 31,-2.8 29,-0.0 2,-0.5 -0.710 11.9-155.6-102.2 138.0 -49.4 13.8 -7.3 4 5 A T E -a 34 0A 21 65,-0.4 67,-3.2 -2,-0.3 2,-0.4 -0.972 13.0-168.7-106.5 122.7 -47.2 16.3 -5.5 5 6 A L E -ab 35 71A 0 29,-2.8 31,-2.8 -2,-0.5 2,-0.5 -0.907 7.0-161.7-110.9 143.2 -43.8 15.0 -4.4 6 7 A H E -ab 36 72A 0 65,-2.3 67,-2.5 -2,-0.4 2,-1.0 -0.974 12.5-145.7-127.1 113.7 -41.4 16.9 -2.1 7 8 A L E -ab 37 73A 9 29,-2.6 31,-2.5 -2,-0.5 67,-0.2 -0.713 18.9-146.6 -88.1 106.2 -37.7 15.8 -2.1 8 9 A R - 0 0 6 65,-2.6 2,-0.3 -2,-1.0 67,-0.2 -0.454 17.6-113.2 -71.7 138.7 -36.5 16.3 1.4 9 10 A A - 0 0 10 -2,-0.2 2,-0.1 30,-0.1 52,-0.1 -0.558 37.8-111.5 -68.4 130.8 -32.8 17.3 1.9 10 11 A E - 0 0 9 -2,-0.3 32,-0.2 7,-0.2 -1,-0.1 -0.395 30.5-176.1 -62.9 138.9 -30.9 14.4 3.6 11 12 A T + 0 0 80 66,-0.5 -1,-0.1 -2,-0.1 67,-0.1 0.447 48.8 113.1-114.1 -10.2 -29.8 15.1 7.1 12 13 A K S > S- 0 0 80 65,-0.3 3,-2.1 1,-0.1 -2,-0.0 -0.463 85.0 -99.6 -57.5 125.2 -27.8 11.8 7.5 13 14 A P T 3 S+ 0 0 112 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.279 101.7 1.1 -51.3 133.8 -24.1 13.0 7.8 14 15 A L T 3 S+ 0 0 161 1,-0.2 2,-1.0 -4,-0.1 -2,-0.1 0.476 87.7 144.0 66.3 7.3 -22.2 12.6 4.5 15 16 A E < + 0 0 12 -3,-2.1 -1,-0.2 1,-0.2 -5,-0.1 -0.660 13.4 163.0 -74.5 107.5 -25.3 11.3 2.7 16 17 A A + 0 0 19 -2,-1.0 28,-2.7 27,-0.1 29,-0.4 0.459 40.2 96.8-109.5 2.6 -24.9 12.8 -0.8 17 18 A R - 0 0 17 26,-0.2 2,-0.3 27,-0.1 -7,-0.2 -0.335 56.8-153.2 -84.2 166.9 -27.3 10.6 -2.8 18 19 A A - 0 0 8 307,-0.3 315,-0.2 308,-0.1 56,-0.1 -0.996 20.5-135.9-144.1 145.2 -30.9 11.5 -3.6 19 20 A A S S+ 0 0 0 -2,-0.3 2,-0.4 1,-0.1 317,-0.1 0.750 97.9 35.7 -72.7 -28.0 -34.0 9.5 -4.3 20 21 A L S S- 0 0 0 53,-0.1 -1,-0.1 -3,-0.0 310,-0.1 -0.998 76.5-158.3-122.9 139.2 -34.9 11.6 -7.3 21 22 A T > - 0 0 0 -2,-0.4 4,-2.6 308,-0.2 5,-0.2 -0.534 37.3 -99.2-109.0 170.6 -32.4 13.1 -9.6 22 23 A P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.923 123.7 52.3 -58.0 -40.1 -32.8 16.1 -11.9 23 24 A T H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.860 112.0 43.2 -59.1 -46.7 -33.4 13.7 -14.9 24 25 A T H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.855 110.6 56.3 -73.6 -33.9 -36.2 11.7 -13.1 25 26 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.938 107.7 50.4 -52.3 -53.4 -37.8 14.9 -11.8 26 27 A K H X S+ 0 0 132 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.926 110.8 47.2 -51.6 -50.0 -38.0 16.1 -15.3 27 28 A K H X S+ 0 0 88 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.912 111.9 51.3 -61.4 -37.6 -39.6 12.8 -16.5 28 29 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-1.1 0.948 108.7 49.3 -70.5 -43.4 -42.1 12.9 -13.6 29 30 A I H ><5S+ 0 0 57 -4,-2.7 3,-2.7 1,-0.3 -1,-0.2 0.922 106.1 57.7 -53.8 -48.0 -43.2 16.6 -14.4 30 31 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.715 105.9 52.5 -52.1 -21.3 -43.7 15.4 -18.1 31 32 A K T <<5S- 0 0 123 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.264 131.0 -96.6-103.4 4.2 -46.1 12.9 -16.6 32 33 A G T < 5S+ 0 0 50 -3,-2.7 -3,-0.2 1,-0.3 -2,-0.1 0.496 75.6 143.2 96.3 6.4 -48.0 15.6 -14.7 33 34 A F < - 0 0 15 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.486 45.1-137.2 -68.8 148.1 -46.3 15.3 -11.3 34 35 A K E -a 4 0A 99 -31,-2.8 -29,-2.8 -2,-0.1 2,-0.5 -0.940 26.0-164.2-104.9 129.4 -45.7 18.5 -9.3 35 36 A I E -a 5 0A 3 -2,-0.5 21,-2.7 19,-0.3 2,-0.4 -0.945 17.3-172.1-126.1 120.4 -42.3 18.4 -7.7 36 37 A Y E -ac 6 56A 34 -31,-2.8 -29,-2.6 -2,-0.5 2,-0.4 -0.826 12.2-163.6 -96.9 144.1 -40.7 20.5 -4.9 37 38 A V E -ac 7 57A 1 19,-2.8 21,-2.0 -2,-0.4 2,-0.2 -0.973 12.8-136.8-132.8 118.7 -37.0 20.1 -4.3 38 39 A E E - c 0 58A 4 -31,-2.5 2,-0.3 -2,-0.4 22,-0.1 -0.513 28.8-109.8 -68.6 135.4 -35.3 21.2 -1.1 39 40 A D - 0 0 73 19,-2.6 21,-0.3 -2,-0.2 -30,-0.1 -0.531 41.4-174.6 -59.1 122.1 -31.9 23.0 -1.5 40 41 A S > - 0 0 16 -2,-0.3 3,-1.4 5,-0.2 7,-0.1 -0.879 21.9-171.0-131.1 101.9 -29.3 20.4 -0.1 41 42 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.897 90.8 56.5 -70.0 -22.9 -25.7 21.6 0.2 42 43 A Q T 3 S+ 0 0 68 -32,-0.2 2,-0.1 -27,-0.0 -31,-0.0 0.695 84.9 104.2 -69.7 -17.6 -24.7 17.9 1.0 43 44 A S S < S- 0 0 21 -3,-1.4 -26,-0.2 1,-0.1 -27,-0.1 -0.361 73.1-137.5 -67.7 139.4 -26.3 16.6 -2.2 44 45 A T S S+ 0 0 37 -28,-2.7 2,-0.3 2,-0.1 -1,-0.1 0.745 87.3 83.0 -66.8 -18.3 -23.9 15.6 -5.0 45 46 A F S S- 0 0 7 -29,-0.4 2,-0.4 280,-0.1 -5,-0.2 -0.660 85.6-123.3 -87.4 140.3 -26.4 17.4 -7.3 46 47 A N >> - 0 0 88 -2,-0.3 3,-2.3 1,-0.1 4,-0.8 -0.656 19.2-128.5 -76.0 134.5 -26.4 21.1 -7.8 47 48 A I H >> S+ 0 0 26 -2,-0.4 4,-1.9 1,-0.3 3,-0.9 0.842 106.3 65.4 -48.8 -38.8 -29.8 22.7 -6.9 48 49 A N H 3> S+ 0 0 77 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.732 91.5 61.7 -61.7 -26.3 -29.8 24.5 -10.3 49 50 A E H <> S+ 0 0 61 -3,-2.3 4,-1.3 2,-0.2 -1,-0.3 0.901 106.9 44.9 -66.9 -40.0 -30.0 21.2 -12.1 50 51 A Y H <<>S+ 0 0 7 -3,-0.9 5,-2.6 -4,-0.8 -2,-0.2 0.881 110.3 55.5 -69.4 -36.6 -33.3 20.5 -10.4 51 52 A R H ><5S+ 0 0 110 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.957 109.4 46.1 -54.9 -53.5 -34.4 24.1 -11.2 52 53 A Q H 3<5S+ 0 0 160 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.766 106.7 59.1 -62.4 -29.7 -33.7 23.6 -14.9 53 54 A A T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.463 126.0-101.9 -78.7 -3.2 -35.5 20.3 -14.7 54 55 A G T < 5 + 0 0 46 -3,-2.0 -19,-0.3 1,-0.3 -3,-0.2 0.521 69.5 147.6 101.4 7.2 -38.7 22.3 -13.5 55 56 A A < - 0 0 10 -5,-2.6 2,-0.6 -21,-0.1 -1,-0.3 -0.463 52.0-119.0 -73.1 152.2 -38.7 21.7 -9.8 56 57 A I E -c 36 0A 67 -21,-2.7 -19,-2.8 -2,-0.1 2,-0.5 -0.816 33.6-136.7 -87.5 117.7 -40.0 24.2 -7.4 57 58 A I E +c 37 0A 40 -2,-0.6 -19,-0.2 -21,-0.2 -21,-0.0 -0.681 30.7 169.9 -87.1 125.9 -37.0 25.0 -5.2 58 59 A V E -c 38 0A 25 -21,-2.0 -19,-2.6 -2,-0.5 3,-0.1 -0.865 37.1 -82.2-131.4 163.7 -37.6 25.3 -1.4 59 60 A P > - 0 0 93 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.279 53.5 -93.7 -62.9 148.0 -35.5 25.6 1.8 60 61 A A T 3 S+ 0 0 60 -21,-0.3 -20,-0.1 1,-0.3 -52,-0.1 -0.315 114.7 22.6 -52.2 139.2 -34.0 22.5 3.5 61 62 A G T > S+ 0 0 28 -52,-0.1 3,-1.8 -3,-0.1 -1,-0.3 0.347 84.3 122.9 81.5 -6.0 -36.4 21.2 6.2 62 63 A S G X + 0 0 28 -3,-1.9 3,-1.8 1,-0.3 4,-0.4 0.695 56.3 77.4 -64.4 -13.7 -39.5 22.9 4.5 63 64 A W G > S+ 0 0 11 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.810 78.0 74.2 -65.4 -26.3 -41.3 19.6 4.3 64 65 A K G < S+ 0 0 96 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.678 108.5 28.9 -65.6 -18.9 -42.1 19.9 8.0 65 66 A T G < S+ 0 0 122 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.263 92.6 128.1-121.4 11.4 -44.7 22.5 7.3 66 67 A A S < S- 0 0 12 -3,-1.3 6,-0.1 -4,-0.4 -3,-0.0 -0.349 74.4 -81.2 -67.3 149.1 -45.7 21.4 3.8 67 68 A P > - 0 0 68 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.156 44.7-114.0 -51.9 145.2 -49.4 20.8 3.0 68 69 A R T 3 S+ 0 0 214 1,-0.3 21,-0.4 -3,-0.1 -2,-0.1 0.635 110.2 63.2 -65.1 -19.4 -50.6 17.4 4.2 69 70 A D T 3 S+ 0 0 105 19,-0.1 -65,-0.4 2,-0.1 -1,-0.3 0.560 78.1 104.5 -81.4 -10.1 -51.3 16.0 0.7 70 71 A R S < S- 0 0 33 -3,-2.0 2,-0.7 -67,-0.1 19,-0.4 -0.521 71.2-133.2 -73.6 135.7 -47.6 16.3 -0.4 71 72 A I E -b 5 0A 1 -67,-3.2 -65,-2.3 -2,-0.2 2,-0.7 -0.797 19.2-143.0 -87.5 122.6 -45.8 13.0 -0.5 72 73 A I E -bd 6 90A 0 17,-2.3 19,-2.4 -2,-0.7 2,-0.4 -0.698 20.7-171.3 -90.6 117.3 -42.4 13.5 1.2 73 74 A I E +bd 7 91A 0 -67,-2.5 -65,-2.6 -2,-0.7 2,-0.3 -0.911 17.6 143.6-112.7 137.4 -39.7 11.6 -0.5 74 75 A G - 0 0 0 17,-2.5 -65,-0.1 -2,-0.4 -56,-0.1 -0.892 42.8-128.5-152.7 173.9 -36.1 11.1 0.8 75 76 A L S S+ 0 0 0 -2,-0.3 18,-2.8 -67,-0.2 45,-0.2 0.869 79.4 30.6 -96.8 -51.7 -33.5 8.3 0.8 76 77 A K S S- 0 0 26 1,-0.2 -65,-0.0 16,-0.2 18,-0.0 -0.283 90.6 -59.0-112.2-173.5 -32.3 7.9 4.4 77 78 A E - 0 0 50 1,-0.1 -66,-0.5 -2,-0.1 -65,-0.3 -0.091 42.3-111.3 -71.5 155.7 -33.4 8.3 7.9 78 79 A M - 0 0 25 1,-0.1 2,-0.2 16,-0.1 -1,-0.1 -0.515 50.9 -84.8 -63.7 148.0 -34.8 11.2 9.9 79 80 A P > - 0 0 39 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.443 32.7-140.6 -52.2 122.5 -32.7 12.7 12.8 80 81 A E T 3 S+ 0 0 161 1,-0.2 -2,-0.0 -2,-0.2 22,-0.0 0.758 101.9 66.4 -59.9 -25.9 -33.4 10.5 15.9 81 82 A T T 3 S+ 0 0 120 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.797 82.4 87.7 -69.2 -26.7 -33.4 13.7 17.9 82 83 A D < + 0 0 33 -3,-1.2 -4,-0.0 1,-0.1 0, 0.0 -0.601 48.5 168.1 -67.7 130.5 -36.6 14.9 16.0 83 84 A T + 0 0 122 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.284 29.8 122.2-126.8 1.9 -39.6 13.6 18.0 84 85 A F S S- 0 0 67 1,-0.1 29,-0.1 28,-0.0 28,-0.1 -0.301 72.8 -83.9 -68.8 156.3 -42.5 15.5 16.4 85 86 A P - 0 0 60 0, 0.0 2,-0.8 0, 0.0 25,-0.2 -0.308 33.9-133.6 -60.5 135.8 -45.5 13.7 14.8 86 87 A L + 0 0 3 23,-1.7 29,-1.0 1,-0.1 27,-0.2 -0.881 31.4 169.7 -92.1 105.5 -45.1 12.5 11.1 87 88 A V + 0 0 79 -2,-0.8 -1,-0.1 27,-0.1 2,-0.1 0.719 48.1 75.2 -89.1 -23.5 -48.3 13.7 9.3 88 89 A H S S- 0 0 5 27,-0.1 28,-1.5 1,-0.1 2,-0.5 -0.350 88.8 -99.5 -83.9 167.8 -47.4 13.0 5.7 89 90 A E E - e 0 116A 55 -19,-0.4 -17,-2.3 -21,-0.4 2,-0.4 -0.799 50.3-159.7 -75.7 123.0 -47.1 10.0 3.5 90 91 A H E -de 72 117A 0 26,-3.6 28,-3.1 -2,-0.5 2,-0.4 -0.897 19.0-164.3-112.1 143.0 -43.3 9.4 3.5 91 92 A I E +de 73 118A 0 -19,-2.4 -17,-2.5 -2,-0.4 2,-0.3 -0.998 43.9 104.8-123.7 122.5 -41.2 7.4 1.0 92 93 A Q E S- e 0 119A 2 26,-1.3 28,-2.1 -2,-0.4 2,-0.6 -0.944 76.4 -83.8-177.6 162.1 -37.6 6.6 2.3 93 94 A F + 0 0 7 -18,-2.8 26,-0.1 -2,-0.3 -2,-0.1 -0.849 44.9 175.6 -76.8 123.4 -35.4 3.8 3.8 94 95 A A - 0 0 3 -2,-0.6 -1,-0.1 -17,-0.1 -16,-0.1 0.545 23.8-148.7-110.0 -9.0 -36.4 3.9 7.4 95 96 A H + 0 0 42 1,-0.1 -2,-0.1 -18,-0.0 -18,-0.0 0.909 65.1 109.9 40.3 61.0 -34.3 1.0 8.7 96 97 A C + 0 0 0 3,-0.1 3,-0.4 10,-0.0 -1,-0.1 0.217 50.0 80.6-143.7 8.4 -36.9 0.1 11.4 97 98 A Y S S+ 0 0 15 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.397 87.6 59.0 -94.6 1.1 -38.4 -3.2 10.1 98 99 A K S S- 0 0 126 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 -0.148 119.0 -95.2-127.2 36.9 -35.4 -5.4 11.4 99 100 A D + 0 0 103 -3,-0.4 3,-0.1 1,-0.2 -2,-0.1 0.689 62.9 173.9 56.0 25.0 -35.4 -4.6 15.2 100 101 A Q > - 0 0 47 1,-0.2 3,-2.5 2,-0.1 4,-0.2 -0.259 49.2 -78.3 -50.8 144.3 -32.8 -1.9 14.8 101 102 A A T 3 S+ 0 0 113 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.271 121.8 12.1 -47.7 118.5 -32.0 0.1 18.1 102 103 A G T 3> S+ 0 0 31 -3,-0.1 4,-1.6 -2,-0.1 3,-0.4 0.505 82.1 139.9 90.2 5.0 -34.9 2.6 18.5 103 104 A W H <> + 0 0 22 -3,-2.5 4,-2.0 1,-0.2 5,-0.1 0.827 68.7 53.7 -53.1 -40.5 -37.2 1.0 15.8 104 105 A Q H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.921 106.3 52.0 -61.5 -45.9 -40.5 1.5 17.9 105 106 A N H > S+ 0 0 78 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.890 105.8 55.4 -58.8 -42.8 -39.8 5.2 18.4 106 107 A V H >X S+ 0 0 52 -4,-1.6 4,-1.0 1,-0.2 3,-0.7 0.986 113.9 40.7 -48.6 -60.7 -39.3 5.6 14.6 107 108 A L H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.812 105.8 64.5 -64.5 -33.1 -42.8 4.1 14.1 108 109 A M H 3X S+ 0 0 20 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.865 96.4 58.7 -58.2 -39.8 -44.4 6.0 17.1 109 110 A R H S+ 0 0 2 -4,-1.0 5,-2.0 -25,-0.2 4,-1.5 0.859 114.5 52.0 -60.0 -43.5 -45.9 8.1 12.2 111 112 A I H <5S+ 0 0 33 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.949 110.7 46.9 -59.7 -51.9 -48.6 6.6 14.5 112 113 A K H <5S+ 0 0 140 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.882 118.9 41.3 -59.8 -37.8 -49.0 9.8 16.5 113 114 A G H <5S- 0 0 10 -4,-1.9 -1,-0.2 -27,-0.2 -2,-0.2 0.636 105.5-122.9 -83.0 -14.4 -49.2 11.9 13.3 114 115 A H T <5 + 0 0 170 -4,-1.5 -3,-0.2 -3,-0.4 -27,-0.1 0.768 63.7 148.2 69.0 27.4 -51.4 9.5 11.2 115 116 A G < - 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