==== 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 OXIDOREDUCTASE 06-DEC-04 1Y6J . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR L.CHEN,H.YANG,I.KATAEVA,L.R.CHEN,W.TEMPEL,D.LEE,J.HABEL,W.ZH . 289 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13782.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 9.3 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 1.0 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 . 27 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 0 0 0 0 0 3 0 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 3 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 . 4 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 0 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 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 7 A R 0 0 267 0, 0.0 2,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 -69.5 67.6 30.0 -133.9 2 8 A S - 0 0 17 23,-0.1 26,-0.5 64,-0.0 2,-0.3 -0.330 360.0-172.9 -78.7 160.9 67.8 26.3 -132.9 3 9 A K - 0 0 25 24,-0.2 64,-3.0 23,-0.1 65,-1.1 -0.882 0.8-174.5-157.4 119.7 70.9 24.0 -133.2 4 10 A V E -ab 29 68A 0 24,-3.1 26,-2.8 -2,-0.3 2,-0.5 -0.920 8.1-157.9-120.3 144.5 71.0 20.3 -132.6 5 11 A A E -ab 30 69A 0 63,-1.7 65,-2.7 -2,-0.4 2,-0.6 -0.983 4.4-157.6-123.9 125.9 74.1 18.0 -132.5 6 12 A I E -ab 31 70A 0 24,-3.3 26,-2.2 -2,-0.5 2,-0.7 -0.909 8.4-148.5-106.9 124.0 73.9 14.3 -133.1 7 13 A I E +ab 32 71A 0 63,-3.9 65,-2.7 -2,-0.6 66,-0.6 -0.823 69.9 30.8 -93.3 116.1 76.7 12.2 -131.8 8 14 A G - 0 0 6 24,-2.9 25,-0.1 -2,-0.7 24,-0.1 0.411 60.3-144.3 105.5 118.0 77.3 9.2 -133.9 9 15 A A + 0 0 12 4,-0.2 -1,-0.1 22,-0.1 24,-0.1 0.155 57.6 129.1 -96.1 18.3 76.8 8.9 -137.7 10 16 A G S > S- 0 0 45 1,-0.1 4,-3.8 3,-0.1 5,-0.3 0.055 86.0 -77.7 -61.4-179.9 75.6 5.3 -137.5 11 17 A F H > S+ 0 0 140 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.861 138.6 46.1 -51.7 -32.2 72.4 4.2 -139.2 12 18 A V H > S+ 0 0 32 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.976 113.0 45.4 -74.4 -55.2 70.6 5.8 -136.3 13 19 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.930 118.9 45.9 -51.0 -46.7 72.6 9.0 -136.2 14 20 A A H X S+ 0 0 8 -4,-3.8 4,-3.2 2,-0.2 5,-0.2 0.960 113.7 45.8 -60.9 -57.6 72.1 9.2 -140.0 15 21 A S H X S+ 0 0 11 -4,-2.6 4,-3.3 -5,-0.3 5,-0.2 0.954 112.0 52.7 -49.0 -59.7 68.4 8.3 -140.0 16 22 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.909 112.6 44.3 -41.2 -58.1 67.7 10.7 -137.2 17 23 A A H < S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.944 112.8 51.5 -54.3 -53.2 69.4 13.5 -139.1 18 24 A F H >X S+ 0 0 99 -4,-3.2 4,-1.6 1,-0.2 3,-0.7 0.853 111.3 49.3 -54.6 -38.4 67.7 12.5 -142.3 19 25 A T H 3X S+ 0 0 24 -4,-3.3 4,-2.5 1,-0.2 3,-0.3 0.951 111.5 44.5 -71.4 -47.9 64.4 12.6 -140.6 20 26 A M H 3<>S+ 0 0 0 -4,-2.7 5,-1.0 -5,-0.2 6,-0.7 0.332 111.1 59.7 -78.3 14.2 64.7 16.0 -138.9 21 27 A A H <45S+ 0 0 6 -3,-0.7 -1,-0.2 3,-0.2 -2,-0.2 0.741 107.5 42.1-102.8 -39.2 66.1 17.1 -142.3 22 28 A L H <5S+ 0 0 110 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.1 0.911 124.1 38.5 -70.5 -45.3 62.9 16.3 -144.2 23 29 A R T <5S- 0 0 160 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.513 101.2-143.0 -81.8 -5.4 60.9 17.7 -141.3 24 30 A Q T 5 + 0 0 55 -5,-0.2 -3,-0.2 1,-0.1 -4,-0.1 0.897 34.2 168.6 40.2 56.5 63.5 20.5 -141.0 25 31 A T < + 0 0 22 -5,-1.0 2,-0.3 -6,-0.1 -1,-0.1 0.804 56.1 34.2 -68.8 -32.8 63.0 20.4 -137.2 26 32 A A S S- 0 0 2 -6,-0.7 3,-0.1 1,-0.1 -23,-0.1 -0.822 70.3-130.5-124.6 165.5 66.0 22.6 -136.4 27 33 A N S S+ 0 0 55 -2,-0.3 27,-0.8 1,-0.3 2,-0.4 0.808 97.5 21.1 -80.8 -31.2 67.8 25.6 -137.9 28 34 A E E - c 0 54A 47 -26,-0.5 -24,-3.1 25,-0.2 2,-0.4 -1.000 65.8-172.6-141.2 139.8 71.2 24.0 -137.6 29 35 A L E -ac 4 55A 0 25,-2.2 27,-2.5 -2,-0.4 2,-0.4 -0.997 6.5-161.1-134.0 130.8 72.2 20.4 -137.2 30 36 A V E -ac 5 56A 0 -26,-2.8 -24,-3.3 -2,-0.4 2,-1.0 -0.929 11.2-148.6-116.3 134.8 75.7 19.0 -136.5 31 37 A L E -a 6 0A 4 25,-1.0 2,-0.4 -2,-0.4 -24,-0.2 -0.801 18.5-172.8 -99.2 95.2 76.9 15.5 -137.1 32 38 A I E -a 7 0A 0 -26,-2.2 -24,-2.9 -2,-1.0 2,-0.2 -0.739 16.3-158.1 -86.4 136.5 79.6 14.9 -134.5 33 39 A D + 0 0 34 -2,-0.4 27,-0.2 24,-0.3 -26,-0.0 -0.684 38.8 179.7-118.9 170.3 81.2 11.6 -135.1 34 40 A V 0 0 76 -2,-0.2 -1,-0.1 25,-0.1 -27,-0.0 0.292 360.0 360.0-139.7 0.2 83.2 8.8 -133.5 35 41 A F 0 0 207 -25,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.174 360.0 360.0 34.4 360.0 83.8 6.5 -136.5 36 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 37 45 A A 0 0 18 0, 0.0 4,-0.4 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 -64.1 80.3 11.1 -140.7 38 46 A I > + 0 0 96 2,-0.2 4,-1.8 3,-0.1 3,-0.5 0.849 360.0 49.8 -88.6 -44.5 81.0 13.7 -143.4 39 47 A G H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.868 105.0 58.4 -62.2 -37.3 79.8 11.6 -146.2 40 48 A E H > S+ 0 0 64 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.815 107.5 48.2 -62.2 -30.5 76.6 10.8 -144.4 41 49 A A H > S+ 0 0 3 -3,-0.5 4,-2.5 -4,-0.4 -1,-0.2 0.866 108.4 53.4 -76.3 -40.0 75.9 14.5 -144.2 42 50 A M H < S+ 0 0 132 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.885 106.1 52.6 -63.2 -42.7 76.6 15.0 -147.9 43 51 A D H >< S+ 0 0 108 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.933 112.6 45.3 -61.7 -42.4 74.1 12.3 -149.0 44 52 A I H >< S+ 0 0 15 -4,-1.2 3,-1.2 1,-0.3 -2,-0.2 0.891 107.4 58.3 -66.8 -38.6 71.4 13.9 -146.8 45 53 A N T 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.506 84.8 82.9 -69.1 -4.0 72.4 17.4 -148.2 46 54 A H T < S+ 0 0 140 -3,-1.1 2,-2.2 -4,-0.4 -1,-0.3 0.897 81.3 61.4 -67.0 -40.9 71.6 16.0 -151.7 47 55 A G S < S- 0 0 54 -3,-1.2 -1,-0.3 -4,-0.4 -4,-0.0 -0.622 86.2-179.5 -84.3 78.3 67.9 16.7 -151.0 48 56 A L + 0 0 124 -2,-2.2 2,-1.8 -3,-0.1 -1,-0.2 0.649 40.2 109.0 -54.9 -37.7 69.1 20.4 -150.8 49 57 A P + 0 0 88 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.263 31.4 151.4 -52.4 80.8 65.9 22.4 -150.0 50 58 A F > + 0 0 30 -2,-1.8 2,-2.1 3,-0.1 3,-1.3 -0.709 10.1 168.3-112.0 70.4 66.8 23.3 -146.4 51 59 A M T 3 S+ 0 0 153 -2,-0.6 3,-0.1 1,-0.3 -1,-0.0 -0.445 84.5 18.5 -84.0 61.8 64.9 26.5 -146.3 52 60 A G T 3 S+ 0 0 35 -2,-2.1 2,-0.3 1,-0.5 -1,-0.3 0.389 118.8 68.6 148.2 15.6 65.3 26.6 -142.5 53 61 A Q < - 0 0 13 -3,-1.3 -1,-0.5 -28,-0.0 2,-0.4 -0.989 49.4-162.8-155.8 151.0 68.1 24.2 -141.8 54 62 A M E -c 28 0A 100 -27,-0.8 -25,-2.2 -2,-0.3 2,-0.6 -0.950 13.9-157.5-137.6 110.3 71.9 23.9 -142.4 55 63 A S E +c 29 0A 19 -2,-0.4 -25,-0.2 -27,-0.2 2,-0.2 -0.839 25.5 160.6 -95.4 116.8 73.4 20.4 -142.0 56 64 A L E c 30 0A 39 -27,-2.5 -25,-1.0 -2,-0.6 -2,-0.0 -0.484 360.0 360.0-118.8-168.0 77.2 20.4 -141.2 57 65 A Y 0 0 162 -27,-0.2 -24,-0.3 -2,-0.2 -27,-0.1 0.228 360.0 360.0-120.0 360.0 79.9 18.1 -139.7 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 68 A D > 0 0 96 0, 0.0 3,-2.6 0, 0.0 -27,-0.1 0.000 360.0 360.0 360.0 133.7 83.6 17.8 -134.2 60 69 A Y G > + 0 0 23 1,-0.3 3,-2.0 -27,-0.2 4,-0.1 0.672 360.0 75.6 -51.6 -23.6 82.7 18.0 -130.5 61 70 A S G > S+ 0 0 32 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.657 86.4 68.2 -65.8 -7.6 83.8 21.6 -130.2 62 71 A D G < + 0 0 48 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.340 67.3 91.5 -93.2 9.2 80.5 22.3 -132.1 63 72 A V G X + 0 0 1 -3,-2.0 3,-1.7 33,-0.1 38,-0.5 0.544 62.1 122.4 -76.6 -3.4 78.4 21.3 -129.1 64 73 A K T < S- 0 0 71 -3,-0.6 3,-0.1 1,-0.3 36,-0.1 -0.292 82.2 -0.1 -57.0 137.8 78.6 25.1 -128.3 65 74 A D T 3 S+ 0 0 110 1,-0.2 2,-0.3 2,-0.1 -1,-0.3 0.725 92.1 156.8 54.1 23.5 75.2 26.8 -128.1 66 75 A C < - 0 0 0 -3,-1.7 -62,-0.2 36,-0.5 -1,-0.2 -0.617 36.5-158.4 -80.8 140.5 73.4 23.5 -128.9 67 76 A D S S+ 0 0 28 -64,-3.0 37,-1.6 1,-0.3 2,-0.3 0.857 81.4 12.1 -83.3 -37.6 69.9 23.3 -127.7 68 77 A V E -bd 4 104A 0 -65,-1.1 -63,-1.7 35,-0.2 2,-0.4 -0.967 62.2-161.6-137.3 153.1 69.9 19.5 -127.7 69 78 A I E -bd 5 105A 0 35,-2.1 37,-3.3 -2,-0.3 2,-0.4 -0.949 13.4-157.0-137.5 112.6 72.7 17.0 -128.1 70 79 A V E -bd 6 106A 0 -65,-2.7 -63,-3.9 -2,-0.4 2,-0.6 -0.772 2.9-156.0 -97.2 134.7 71.7 13.5 -129.0 71 80 A V E +bd 7 107A 2 35,-2.5 37,-2.1 -2,-0.4 38,-1.2 -0.930 27.2 155.9-110.6 111.1 73.9 10.5 -128.2 72 81 A T + 0 0 18 -65,-2.7 38,-0.2 -2,-0.6 -64,-0.2 0.406 33.8 124.8-111.3 -3.5 73.3 7.6 -130.6 73 82 A A + 0 0 12 -66,-0.6 37,-0.2 36,-0.1 2,-0.1 0.029 35.2 87.9 -50.0 163.4 76.7 6.0 -130.1 74 83 A G 0 0 42 35,-0.1 8,-0.1 1,-0.1 7,-0.0 -0.436 360.0 360.0 125.6 161.1 76.8 2.3 -129.0 75 84 A A 0 0 88 35,-0.2 -1,-0.1 6,-0.2 7,-0.1 0.613 360.0 360.0-113.4 360.0 76.8 -1.2 -130.3 76 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 77 91 A T > 0 0 158 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.0 75.9 -11.9 -124.6 78 92 A R H >> + 0 0 200 2,-0.2 3,-1.7 1,-0.2 4,-1.2 0.954 360.0 51.2 -71.2 -59.7 73.6 -9.1 -123.5 79 93 A L H 3> S+ 0 0 68 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.803 106.3 62.5 -52.2 -26.1 74.7 -7.6 -120.2 80 94 A D H 3> S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.876 95.5 59.9 -65.7 -37.1 78.1 -7.3 -121.9 81 95 A L H X S+ 0 0 117 -4,-2.7 4,-1.7 -3,-0.2 3,-0.6 0.965 113.3 43.4 -71.4 -52.5 80.4 -2.4 -123.8 85 99 A N H 3X S+ 0 0 4 -4,-4.0 4,-3.5 1,-0.2 -2,-0.2 0.789 106.2 62.8 -62.9 -31.0 78.2 0.6 -124.5 86 100 A V H 3X S+ 0 0 5 -4,-3.1 4,-2.9 -5,-0.3 -1,-0.2 0.867 103.7 49.5 -63.5 -35.6 79.0 2.1 -121.1 87 101 A M H X S+ 0 0 4 -4,-3.0 3,-1.5 1,-0.2 4,-1.1 0.979 112.3 46.0 -58.2 -53.5 80.9 16.4 -125.0 97 111 A M H 3< S+ 0 0 56 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.687 96.9 73.9 -64.9 -16.9 81.6 18.0 -121.7 98 112 A K H 3< S+ 0 0 129 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.861 120.8 14.0 -64.2 -31.2 85.0 19.2 -122.9 99 113 A Y H << S+ 0 0 95 -3,-1.5 -2,-0.2 -4,-0.9 -1,-0.2 0.338 94.6 137.2-124.4 6.2 83.1 21.8 -124.9 100 114 A Y < + 0 0 40 -4,-1.1 2,-0.1 -5,-0.1 -36,-0.1 -0.366 16.3 145.2 -62.6 126.8 79.7 21.5 -123.4 101 115 A N + 0 0 86 -38,-0.5 -1,-0.1 1,-0.3 -37,-0.1 -0.219 61.3 1.2-130.0-140.2 78.0 24.9 -122.7 102 116 A H S S+ 0 0 88 -2,-0.1 -36,-0.5 2,-0.0 -1,-0.3 -0.290 93.4 105.1 -54.6 126.2 74.3 25.7 -123.0 103 117 A G - 0 0 1 -38,-0.1 2,-0.5 -3,-0.1 -35,-0.2 -0.883 60.6-117.6 169.1 158.9 72.3 22.5 -123.9 104 118 A V E -d 68 0A 1 -37,-1.6 -35,-2.1 -2,-0.2 2,-0.4 -0.975 31.0-142.2-117.4 127.5 70.0 19.6 -123.2 105 119 A I E -de 69 130A 3 24,-1.7 26,-2.9 -2,-0.5 2,-0.6 -0.734 11.0-163.7 -93.5 130.7 71.4 16.1 -123.6 106 120 A L E -de 70 131A 1 -37,-3.3 -35,-2.5 -2,-0.4 2,-0.4 -0.953 8.9-150.8-117.0 115.9 69.2 13.3 -125.1 107 121 A V E +de 71 132A 0 24,-4.1 26,-3.0 -2,-0.6 27,-0.3 -0.694 30.0 155.3 -89.1 133.7 70.4 9.8 -124.6 108 122 A V + 0 0 13 -37,-2.1 4,-0.3 -2,-0.4 -36,-0.2 0.543 34.8 116.1-128.0 -21.7 69.4 7.2 -127.2 109 123 A S S S- 0 0 5 -38,-1.2 7,-0.2 2,-0.1 6,-0.2 -0.096 72.2 -78.6 -51.2 148.0 72.2 4.6 -126.9 110 124 A N S S+ 0 0 88 1,-0.3 -35,-0.2 -37,-0.2 -25,-0.1 -0.838 119.0 37.3-107.7 140.9 71.0 1.1 -125.8 111 125 A P S >> S- 0 0 26 0, 0.0 4,-2.5 0, 0.0 3,-1.0 0.063 82.3-179.6 -72.3 101.9 70.3 0.0 -123.0 112 126 A V H 3> S+ 0 0 0 -4,-0.3 4,-3.3 1,-0.3 5,-0.3 0.828 72.7 58.7 -43.5 -49.0 68.9 3.5 -122.8 113 127 A D H 3> S+ 0 0 7 52,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.908 115.4 37.0 -51.3 -45.5 67.6 3.3 -119.3 114 128 A I H <> S+ 0 0 8 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.959 118.5 45.7 -73.2 -55.3 71.1 2.5 -118.0 115 129 A I H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.892 108.2 58.5 -59.2 -38.3 73.2 4.7 -120.2 116 130 A T H X S+ 0 0 0 -4,-3.3 4,-1.7 -5,-0.3 -1,-0.2 0.955 112.3 40.6 -55.1 -51.1 70.8 7.6 -119.7 117 131 A Y H X S+ 0 0 8 -4,-1.3 4,-1.7 -5,-0.3 -2,-0.2 0.948 116.3 49.2 -59.6 -53.3 71.5 7.4 -115.9 118 132 A M H >X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 3,-0.8 0.952 111.7 48.4 -51.0 -57.1 75.2 6.7 -116.3 119 133 A I H 3X S+ 0 0 4 -4,-3.2 4,-2.3 1,-0.3 6,-0.2 0.795 105.7 58.9 -54.8 -34.6 75.7 9.6 -118.7 120 134 A Q H 3X>S+ 0 0 12 -4,-1.7 5,-1.3 -5,-0.3 4,-0.7 0.911 113.2 39.2 -63.2 -40.1 73.8 11.9 -116.4 121 135 A K H X<5S+ 0 0 78 -4,-1.7 3,-2.2 -3,-0.8 -2,-0.2 0.990 112.0 54.2 -70.7 -64.8 76.3 11.1 -113.7 122 136 A W H 3<5S+ 0 0 87 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.833 110.4 49.0 -36.9 -48.7 79.4 11.1 -115.9 123 137 A S H 3<5S- 0 0 13 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.764 97.6-140.4 -66.7 -28.4 78.5 14.6 -117.1 124 138 A G T <<5 + 0 0 69 -3,-2.2 -3,-0.2 -4,-0.7 -2,-0.1 0.836 53.1 146.4 68.1 30.0 78.0 15.9 -113.6 125 139 A L < - 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