==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE HYDROLASE 11-JUL-97 1JFR . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES EXFOLIATUS; . AUTHOR Y.WEI,Z.S.DEREWENDA . 520 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 7.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 35 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 21.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 2 0 0 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 3 A N > 0 0 90 0, 0.0 3,-1.5 0, 0.0 229,-0.0 0.000 360.0 360.0 360.0 112.1 11.7 12.4 -1.6 2 4 A P T 3 + 0 0 99 0, 0.0 228,-0.0 0, 0.0 0, 0.0 0.647 360.0 61.2 -67.7 -15.8 13.5 12.0 -4.9 3 5 A Y T 3 S+ 0 0 79 227,-0.2 2,-0.2 228,-0.1 50,-0.2 0.490 72.0 119.6 -93.1 -3.9 15.9 9.4 -3.4 4 6 A E < - 0 0 74 -3,-1.5 2,-0.4 227,-0.1 227,-0.0 -0.413 42.3-174.7 -62.8 131.4 13.3 6.8 -2.5 5 7 A R + 0 0 23 -2,-0.2 -2,-0.1 73,-0.1 225,-0.0 -0.986 39.3 3.9-130.0 139.9 13.9 3.5 -4.2 6 8 A G S S- 0 0 27 -2,-0.4 72,-0.0 14,-0.1 73,-0.0 0.014 92.2 -46.1 81.2 169.8 11.9 0.4 -4.3 7 9 A P S S- 0 0 87 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.146 76.1 -69.0 -73.3 165.8 8.5 -0.5 -2.8 8 10 A A - 0 0 79 1,-0.1 2,-0.2 227,-0.0 5,-0.1 -0.297 64.1-119.8 -54.4 135.7 7.3 0.2 0.7 9 11 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.485 29.1-174.0 -82.7 156.4 9.3 -2.0 3.0 10 12 A T > - 0 0 81 -2,-0.2 4,-1.6 1,-0.0 3,-0.4 -0.885 45.4 -98.9-133.2 170.0 8.2 -4.7 5.4 11 13 A N H > S+ 0 0 74 -2,-0.3 4,-0.9 1,-0.3 5,-0.1 0.867 125.5 53.5 -59.4 -34.8 10.1 -6.8 8.0 12 14 A A H > S+ 0 0 68 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.869 104.1 53.6 -65.6 -39.8 10.2 -9.6 5.4 13 15 A S H 4 S+ 0 0 36 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 110.3 46.4 -69.1 -28.9 11.7 -7.3 2.6 14 16 A I H < S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 208,-0.2 0.620 113.7 49.3 -86.2 -14.4 14.6 -6.2 4.8 15 17 A E H < S+ 0 0 75 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.584 87.5 110.3 -92.9 -16.5 15.3 -9.8 5.9 16 18 A A < - 0 0 36 -4,-1.0 3,-0.1 1,-0.1 -3,-0.0 -0.282 69.4-136.2 -59.6 147.7 15.3 -11.2 2.4 17 19 A S S S+ 0 0 69 1,-0.2 2,-0.4 2,-0.0 60,-0.2 0.759 95.6 36.9 -75.7 -23.7 18.6 -12.4 0.9 18 20 A R S S- 0 0 146 59,-0.1 -1,-0.2 58,-0.1 56,-0.1 -0.989 80.0-152.8-132.2 117.7 17.8 -10.6 -2.4 19 21 A G - 0 0 18 -2,-0.4 59,-0.2 54,-0.4 -5,-0.1 -0.012 41.6 -79.0 -75.1-167.4 16.0 -7.3 -2.5 20 22 A P S S+ 0 0 75 0, 0.0 2,-0.5 0, 0.0 58,-0.2 0.696 103.0 83.9 -70.2 -27.7 13.9 -5.9 -5.3 21 23 A Y S S- 0 0 18 56,-2.9 -2,-0.2 55,-0.1 2,-0.2 -0.726 74.2-134.7 -85.2 126.6 16.7 -4.8 -7.7 22 24 A A - 0 0 76 -2,-0.5 23,-2.5 -4,-0.1 24,-0.5 -0.562 35.0-147.2 -63.4 145.6 18.4 -7.3 -10.0 23 25 A T E -A 44 0A 53 21,-0.3 2,-0.2 -2,-0.2 54,-0.1 -0.822 20.6-166.7-124.8 160.5 22.1 -6.7 -9.7 24 26 A S E -A 43 0A 39 19,-3.1 19,-2.2 -2,-0.3 2,-0.3 -0.756 12.9-147.7-128.4 172.9 25.3 -6.8 -11.8 25 27 A Q E -A 42 0A 117 -2,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.992 10.8-172.6-148.2 153.5 29.0 -6.7 -10.9 26 28 A T E -A 41 0A 45 15,-1.8 15,-3.1 -2,-0.3 2,-0.2 -0.983 21.3-128.6-136.9 152.1 32.3 -5.5 -12.3 27 29 A S E -A 40 0A 91 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.597 8.5-155.1-100.9 148.5 35.9 -6.0 -11.0 28 30 A V E -A 39 0A 13 11,-3.3 11,-2.3 -2,-0.2 2,-0.1 -0.982 21.2-138.4-120.3 112.7 38.4 -3.3 -10.5 29 31 A S >> - 0 0 59 -2,-0.5 4,-1.8 9,-0.2 3,-0.7 -0.382 16.4-121.5 -71.8 156.6 42.0 -4.6 -10.7 30 32 A S T 34 S+ 0 0 78 7,-0.3 8,-0.2 1,-0.2 6,-0.2 0.730 111.3 64.2 -66.5 -19.7 44.7 -3.4 -8.3 31 33 A L T 34 S+ 0 0 164 1,-0.2 -1,-0.2 6,-0.1 7,-0.1 0.857 110.0 36.4 -68.0 -39.4 46.7 -2.1 -11.3 32 34 A V T <4 S+ 0 0 86 -3,-0.7 2,-0.3 2,-0.1 -2,-0.2 0.741 96.1 96.6 -84.2 -30.2 44.0 0.4 -12.1 33 35 A A < - 0 0 11 -4,-1.8 2,-0.7 1,-0.1 3,-0.3 -0.490 65.2-146.5 -68.1 124.0 43.0 1.3 -8.5 34 36 A S S S- 0 0 60 -2,-0.3 73,-0.2 1,-0.2 3,-0.1 -0.816 77.5 -3.6 -96.8 116.0 44.7 4.4 -7.2 35 37 A G S S+ 0 0 39 -2,-0.7 2,-0.3 1,-0.2 53,-0.2 0.522 123.5 58.7 89.4 7.4 45.4 4.3 -3.5 36 38 A F S S- 0 0 4 -3,-0.3 -1,-0.2 -6,-0.2 51,-0.2 -0.911 90.4 -98.2-155.7 175.9 43.7 1.0 -2.6 37 39 A G - 0 0 15 49,-2.1 -7,-0.3 1,-0.3 50,-0.2 0.196 63.5-102.1 -92.5 21.3 44.0 -2.7 -3.6 38 40 A G - 0 0 1 48,-0.2 48,-2.5 -9,-0.2 -1,-0.3 -0.434 46.4-177.9 89.5-175.4 41.2 -3.0 -6.2 39 41 A G E -AB 28 85A 3 -11,-2.3 -11,-3.3 46,-0.3 2,-0.4 -0.994 27.1 -75.4 168.4-167.8 37.8 -4.6 -5.5 40 42 A T E -AB 27 84A 14 44,-2.4 44,-2.2 -2,-0.3 2,-0.5 -0.990 29.5-149.2-126.3 133.7 34.4 -5.6 -6.8 41 43 A I E -AB 26 83A 1 -15,-3.1 -15,-1.8 -2,-0.4 2,-0.4 -0.913 9.3-167.2-105.7 126.4 31.5 -3.2 -7.6 42 44 A Y E +AB 25 82A 20 40,-3.3 40,-2.9 -2,-0.5 -17,-0.2 -0.920 19.8 163.3-108.3 131.7 27.9 -4.6 -7.1 43 45 A Y E -A 24 0A 33 -19,-2.2 -19,-3.1 -2,-0.4 2,-0.2 -0.991 43.7 -93.0-149.9 152.8 25.1 -2.4 -8.6 44 46 A P E -A 23 0A 1 0, 0.0 -21,-0.3 0, 0.0 33,-0.1 -0.469 30.7-142.2 -60.0 135.2 21.5 -2.5 -9.7 45 47 A T S S+ 0 0 63 -23,-2.5 2,-0.2 -2,-0.2 -22,-0.1 0.891 77.1 84.0 -66.3 -40.6 21.2 -3.3 -13.4 46 48 A S + 0 0 48 -24,-0.5 3,-0.1 1,-0.1 -25,-0.0 -0.463 46.9 179.5 -70.2 135.1 18.3 -1.0 -13.9 47 49 A T > + 0 0 95 -2,-0.2 3,-1.2 1,-0.1 -1,-0.1 0.340 62.5 95.3-106.6 5.6 18.9 2.7 -14.6 48 50 A A T 3 S+ 0 0 84 1,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.678 80.5 51.3 -75.4 -20.3 15.2 3.5 -15.0 49 51 A D T 3 S- 0 0 85 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.449 114.0-109.3 -93.4 -0.8 14.7 4.7 -11.4 50 52 A G < - 0 0 35 -3,-1.2 -1,-0.4 -45,-0.0 2,-0.1 -0.587 54.3 -30.0 105.9-171.0 17.7 7.1 -11.3 51 53 A T - 0 0 51 -2,-0.2 2,-0.3 -3,-0.1 67,-0.2 -0.349 56.6-140.5 -81.8 169.1 21.0 7.1 -9.6 52 54 A F E -c 118 0A 3 65,-2.4 67,-3.0 -2,-0.1 70,-0.2 -0.843 17.1-106.1-127.7 156.9 21.8 5.4 -6.2 53 55 A G E - 0 0 0 26,-0.4 28,-2.4 -2,-0.3 2,-0.3 -0.376 39.7-133.6 -72.6 169.0 23.9 6.2 -3.2 54 56 A A E -cd 123 81A 0 68,-1.8 70,-2.3 65,-0.3 2,-0.4 -0.923 16.5-165.6-134.9 144.8 27.1 4.2 -2.7 55 57 A V E -cd 124 82A 0 26,-2.4 28,-2.5 -2,-0.3 2,-0.4 -0.997 7.1-155.9-128.6 135.0 28.8 2.3 0.1 56 58 A V E -cd 125 83A 0 68,-1.7 70,-2.2 -2,-0.4 2,-0.4 -0.906 12.0-158.7-110.9 144.1 32.4 1.1 0.2 57 59 A I E -cd 126 84A 0 26,-2.7 28,-2.6 -2,-0.4 70,-0.2 -0.988 2.9-160.6-128.1 131.5 33.4 -1.8 2.5 58 60 A S E -c 127 0A 0 68,-1.6 70,-2.2 -2,-0.4 28,-0.1 -0.890 11.6-138.0-112.3 138.7 36.8 -2.7 3.9 59 61 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.239 29.1-106.5 -76.2 178.3 37.9 -6.1 5.3 60 62 A G > - 0 0 2 1,-0.2 3,-2.2 4,-0.2 69,-0.1 -0.111 54.8 -40.4-101.5-170.7 40.0 -6.5 8.4 61 63 A F T 3 S- 0 0 90 1,-0.3 -1,-0.2 30,-0.1 30,-0.2 -0.295 127.1 -0.2 -55.5 129.7 43.6 -7.4 9.4 62 64 A T T 3 S+ 0 0 86 28,-2.9 -1,-0.3 1,-0.2 2,-0.2 0.493 110.9 119.8 63.4 17.2 45.0 -10.2 7.2 63 65 A A < - 0 0 17 -3,-2.2 24,-0.3 27,-0.3 -1,-0.2 -0.649 45.7-158.6-113.9 160.2 41.7 -10.4 5.3 64 66 A Y > - 0 0 134 -2,-0.2 3,-1.7 22,-0.1 4,-0.3 -0.612 46.2 -77.5-118.7-175.3 40.6 -10.1 1.7 65 67 A Q G >> S+ 0 0 33 1,-0.3 3,-2.0 -2,-0.2 4,-1.0 0.747 118.3 74.1 -56.9 -32.1 37.3 -9.3 -0.1 66 68 A S G 34 S+ 0 0 97 1,-0.3 3,-0.3 2,-0.2 4,-0.3 0.810 89.2 60.8 -57.1 -27.8 36.2 -12.9 0.4 67 69 A S G <4 S+ 0 0 29 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.636 119.0 25.0 -72.2 -17.0 35.5 -12.1 4.1 68 70 A I T X4 S+ 0 0 1 -3,-2.0 3,-1.2 -4,-0.3 4,-0.4 0.296 88.6 107.5-128.5 7.9 32.9 -9.3 3.2 69 71 A A T >< + 0 0 30 -4,-1.0 3,-1.3 -3,-0.3 -2,-0.1 0.746 67.4 68.6 -62.4 -33.1 31.7 -10.5 -0.2 70 72 A W T 3> S+ 0 0 33 -4,-0.3 4,-1.1 1,-0.3 -1,-0.3 0.813 93.4 60.4 -59.7 -28.4 28.3 -11.6 1.0 71 73 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 3,-0.2 5,-0.5 0.777 90.6 73.9 -66.4 -22.4 27.3 -8.0 1.7 72 74 A G H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.4 5,-0.2 0.974 107.1 25.1 -57.6 -67.9 27.8 -7.0 -2.0 73 75 A P H > S+ 0 0 21 0, 0.0 4,-2.0 0, 0.0 -54,-0.4 0.831 120.1 60.0 -65.6 -37.9 24.7 -8.6 -3.6 74 76 A R H < S+ 0 0 13 -4,-1.1 -55,-0.3 2,-0.2 -2,-0.2 0.923 116.3 30.5 -61.4 -45.1 22.7 -8.4 -0.4 75 77 A L H >< S+ 0 0 0 -4,-2.4 3,-1.5 2,-0.2 4,-0.2 0.857 116.2 57.6 -80.8 -42.5 22.9 -4.7 -0.0 76 78 A A H >X S+ 0 0 0 -4,-2.5 3,-2.3 -5,-0.5 4,-1.2 0.899 98.4 60.9 -59.3 -36.0 23.1 -3.8 -3.7 77 79 A S T 3< S+ 0 0 3 -4,-2.0 -56,-2.9 1,-0.3 -1,-0.3 0.612 96.7 61.7 -70.4 -3.2 19.8 -5.6 -4.5 78 80 A Q T <4 S- 0 0 2 -3,-1.5 -1,-0.3 -59,-0.2 -2,-0.2 0.490 134.8 -81.5 -96.2 0.3 18.1 -3.1 -2.0 79 81 A G T <4 S+ 0 0 0 -3,-2.3 -26,-0.4 1,-0.3 2,-0.3 0.830 89.5 118.5 102.3 48.7 19.2 -0.2 -4.3 80 82 A F < - 0 0 0 -4,-1.2 2,-0.6 -5,-0.2 -1,-0.3 -0.986 60.8-127.9-138.8 149.1 22.8 0.7 -3.5 81 83 A V E - d 0 54A 0 -28,-2.4 -26,-2.4 -2,-0.3 2,-0.5 -0.901 38.0-167.4 -93.4 122.2 26.1 0.7 -5.5 82 84 A V E -Bd 42 55A 0 -40,-2.9 -40,-3.3 -2,-0.6 2,-0.6 -0.966 13.5-166.5-122.9 128.6 28.4 -1.3 -3.2 83 85 A F E -Bd 41 56A 0 -28,-2.5 -26,-2.7 -2,-0.5 2,-0.6 -0.941 2.3-165.7-120.3 106.9 32.2 -1.6 -3.5 84 86 A T E -Bd 40 57A 0 -44,-2.2 -44,-2.4 -2,-0.6 2,-0.3 -0.865 23.3-163.5 -87.6 125.1 34.0 -4.3 -1.6 85 87 A I E -B 39 0A 0 -28,-2.6 2,-0.3 -2,-0.6 -46,-0.3 -0.690 23.0-140.0-114.8 158.1 37.7 -3.4 -1.6 86 88 A D - 0 0 37 -48,-2.5 -49,-2.1 -2,-0.3 -48,-0.2 -0.861 32.1-126.3 -99.7 147.7 41.0 -5.1 -1.0 87 89 A T - 0 0 10 -2,-0.3 -51,-0.1 -24,-0.3 3,-0.1 -0.442 27.0 -99.6 -89.0 171.2 43.6 -2.9 0.9 88 90 A N S S- 0 0 93 -53,-0.2 2,-0.3 1,-0.2 -52,-0.1 0.906 108.2 -1.2 -56.8 -50.0 47.1 -2.1 -0.3 89 91 A T S > S- 0 0 73 1,-0.0 3,-1.4 0, 0.0 -1,-0.2 -0.970 73.5-120.5-130.5 158.6 48.5 -4.8 2.0 90 92 A T T 3 S+ 0 0 30 -2,-0.3 -28,-2.9 1,-0.3 -27,-0.3 0.570 110.5 60.9 -77.3 -4.0 46.6 -7.0 4.5 91 93 A L T 3 S+ 0 0 101 -30,-0.2 -1,-0.3 -29,-0.1 -30,-0.1 0.352 73.4 132.4-101.8 6.4 48.6 -5.6 7.4 92 94 A D < - 0 0 23 -3,-1.4 -30,-0.1 -32,-0.1 -5,-0.0 -0.277 53.8-125.5 -61.2 143.9 47.4 -2.0 6.9 93 95 A Q > - 0 0 86 1,-0.1 4,-2.6 -32,-0.1 5,-0.2 -0.327 28.5 -93.7 -85.0 172.9 46.3 -0.2 10.1 94 96 A P H > S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.882 122.3 52.3 -56.2 -41.9 43.0 1.6 10.7 95 97 A D H > S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.933 112.4 46.1 -65.4 -39.6 44.1 5.1 9.7 96 98 A S H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 110.3 53.9 -65.2 -40.7 45.5 3.7 6.4 97 99 A R H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 105.5 54.3 -62.3 -38.4 42.3 1.8 5.8 98 100 A G H X S+ 0 0 3 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.914 108.5 48.1 -61.6 -39.6 40.3 5.0 6.3 99 101 A R H X S+ 0 0 144 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.901 110.5 52.4 -67.7 -35.5 42.3 6.7 3.6 100 102 A Q H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.859 104.4 55.5 -69.4 -35.5 41.8 3.8 1.3 101 103 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.914 110.8 45.5 -58.3 -46.8 38.0 3.9 1.8 102 104 A L H X S+ 0 0 22 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.908 111.4 51.6 -64.9 -39.2 38.0 7.5 0.7 103 105 A S H X S+ 0 0 33 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.841 109.1 51.6 -62.7 -37.9 40.3 6.8 -2.3 104 106 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.895 109.1 49.4 -65.9 -39.1 37.9 4.0 -3.3 105 107 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.900 110.7 51.3 -62.6 -44.0 35.0 6.3 -3.2 106 108 A D H X S+ 0 0 46 -4,-2.3 4,-2.1 2,-0.2 5,-0.5 0.942 112.4 45.8 -55.1 -49.6 36.9 8.8 -5.3 107 109 A Y H X>S+ 0 0 27 -4,-2.4 4,-2.3 1,-0.2 5,-1.9 0.952 113.6 49.5 -57.2 -53.9 37.7 6.1 -7.9 108 110 A L H <5S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.901 119.0 35.9 -52.7 -48.8 34.1 4.9 -7.9 109 111 A T H <5S+ 0 0 22 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.753 128.9 30.2 -82.3 -25.1 32.5 8.3 -8.4 110 112 A Q H <5S+ 0 0 112 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.755 133.2 13.1-105.8 -32.1 35.1 10.0 -10.6 111 113 A R T <5S+ 0 0 106 -4,-2.3 -3,-0.2 -5,-0.5 -4,-0.1 0.606 90.2 103.3-125.1 -19.6 36.7 7.2 -12.7 112 114 A S S > S+ 0 0 2 -6,-0.2 3,-2.5 1,-0.1 4,-0.4 0.324 73.3 113.0-113.3 19.5 29.6 2.8 -13.1 115 117 A R G X S+ 0 0 112 -3,-1.4 3,-1.0 1,-0.3 -1,-0.1 0.784 72.4 59.2 -62.6 -26.3 30.2 6.4 -12.1 116 118 A T G 3 S+ 0 0 112 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.539 100.7 56.1 -79.2 -6.8 27.0 7.6 -13.9 117 119 A R G < S+ 0 0 60 -3,-2.5 -65,-2.4 -66,-0.1 2,-0.4 0.431 97.7 82.1 -90.7 -11.4 24.9 5.3 -11.8 118 120 A V E < S-c 52 0A 12 -3,-1.0 2,-0.9 -4,-0.4 -65,-0.2 -0.865 70.4-142.3-104.0 138.4 26.1 6.8 -8.6 119 121 A D E > - 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