==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-10 2XQ0 . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.HELGSTRAND,M.HASAN,H.USYAL,J.Z.HAEGGSTROM,M.M.G.M.THUNNISS . 625 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 1 2 2 0 1 2 4 2 1 1 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 2 1 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 1 1 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 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 40 A M 0 0 128 0, 0.0 427,-0.0 0, 0.0 426,-0.0 0.000 360.0 360.0 360.0 7.8 -14.0 14.9 41.2 2 41 A L - 0 0 20 1,-0.1 440,-0.1 422,-0.1 426,-0.0 -0.201 360.0 -77.1 -78.6 165.6 -17.4 14.1 39.8 3 42 A P > - 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 -0.033 41.9-106.7 -61.6 164.6 -20.9 14.9 41.3 4 43 A L H > S+ 0 0 124 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.888 110.7 51.1 -62.9 -55.3 -22.6 13.0 44.1 5 44 A S H > S+ 0 0 31 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.843 114.9 47.3 -59.2 -33.6 -25.4 10.9 42.5 6 45 A I H >> S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 3,-1.2 0.976 110.8 50.0 -62.0 -60.8 -22.8 9.6 40.0 7 46 A E H 3< S+ 0 0 123 -4,-2.5 -2,-0.2 1,-0.3 3,-0.2 0.880 110.9 54.3 -38.3 -45.0 -20.5 8.9 42.9 8 47 A Q H 3< S+ 0 0 150 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.803 109.6 43.1 -66.3 -34.0 -23.5 7.1 44.4 9 48 A R H << S+ 0 0 117 -4,-1.2 -1,-0.2 -3,-1.2 -2,-0.2 0.676 91.7 104.0 -87.2 -18.1 -24.2 4.8 41.4 10 49 A R S < S- 0 0 64 -4,-1.8 4,-0.1 -3,-0.2 2,-0.0 -0.348 74.4-117.9 -70.1 140.1 -20.6 3.9 40.8 11 50 A P - 0 0 37 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.350 25.1-111.3 -72.7 162.2 -19.4 0.5 41.9 12 51 A S S S+ 0 0 140 1,-0.2 2,-0.4 -2,-0.0 -2,-0.1 0.759 106.0 33.7 -65.6 -23.6 -16.7 0.2 44.6 13 52 A R S S- 0 0 204 2,-0.0 4,-0.2 4,-0.0 -1,-0.2 -0.998 90.1-111.7-137.7 135.3 -14.5 -1.1 41.8 14 53 A S S S+ 0 0 35 -2,-0.4 2,-0.1 2,-0.1 407,-0.0 -0.819 86.3 52.5-112.6 152.6 -14.2 -0.3 38.1 15 54 A P S S- 0 0 35 0, 0.0 3,-0.1 0, 0.0 406,-0.1 0.513 94.6-118.2 -69.4 147.5 -14.7 -1.6 35.4 16 55 A E - 0 0 39 1,-0.1 -2,-0.1 -2,-0.1 -6,-0.0 -0.219 36.1 -92.2 -58.1 141.0 -18.3 -2.5 36.4 17 56 A Y - 0 0 94 -4,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.267 33.6-125.9 -60.4 135.4 -19.0 -6.2 36.4 18 57 A D > - 0 0 2 1,-0.1 3,-1.1 292,-0.1 -1,-0.1 -0.754 21.1-171.0 -86.4 107.2 -20.5 -7.6 33.1 19 58 A Q T 3 S+ 0 0 82 -2,-0.8 -1,-0.1 1,-0.2 355,-0.1 0.465 74.9 73.5 -76.8 -4.3 -23.7 -9.5 34.0 20 59 A S T 3 S+ 0 0 2 353,-0.1 2,-0.4 350,-0.0 -1,-0.2 0.351 84.2 77.3 -94.6 3.7 -24.1 -11.0 30.5 21 60 A T < - 0 0 10 -3,-1.1 75,-0.1 2,-0.1 137,-0.1 -0.902 56.3-162.2-113.9 147.0 -21.3 -13.5 30.9 22 61 A L + 0 0 10 -2,-0.4 -1,-0.1 73,-0.2 2,-0.1 0.363 65.6 104.8 -97.2 0.1 -21.3 -16.8 32.7 23 62 A S S S- 0 0 2 1,-0.1 2,-0.5 132,-0.1 3,-0.2 -0.335 75.9-129.0 -80.8 160.8 -17.5 -16.9 32.7 24 63 A N > + 0 0 18 42,-1.6 3,-1.7 1,-0.2 4,-0.2 -0.437 49.3 152.3-104.1 62.0 -15.3 -16.1 35.7 25 64 A Y G > + 0 0 13 -2,-0.5 3,-1.4 1,-0.3 -1,-0.2 0.737 59.3 67.1 -68.6 -26.5 -13.3 -13.7 33.8 26 65 A K G 3 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.672 97.0 60.3 -65.0 -13.2 -12.2 -11.5 36.8 27 66 A D G < S+ 0 0 66 -3,-1.7 30,-2.8 29,-0.1 2,-0.3 0.486 106.9 40.7 -95.2 -5.2 -10.2 -14.5 38.0 28 67 A F E < -A 56 0A 13 -3,-1.4 2,-0.5 28,-0.3 28,-0.2 -0.961 65.4-136.0-141.4 155.5 -7.9 -14.9 35.0 29 68 A A E -A 55 0A 25 26,-2.4 26,-1.9 -2,-0.3 2,-0.9 -0.963 20.0-142.9-108.8 132.7 -5.9 -12.8 32.5 30 69 A V E +A 54 0A 21 -2,-0.5 24,-0.2 24,-0.2 134,-0.2 -0.850 23.7 173.7 -97.9 106.5 -6.1 -13.9 28.9 31 70 A L E - 0 0 78 22,-2.2 133,-0.4 -2,-0.9 2,-0.3 0.741 64.7 -7.2 -85.1 -27.1 -2.6 -13.4 27.5 32 71 A H E -A 53 0A 46 21,-1.2 21,-2.7 131,-0.1 2,-0.4 -0.937 54.5-153.8-168.7 147.5 -3.3 -14.9 24.0 33 72 A T E -Ab 52 165A 3 131,-2.0 133,-1.9 -2,-0.3 2,-0.5 -0.992 9.3-168.4-129.7 125.9 -5.9 -16.8 22.1 34 73 A D E -Ab 51 166A 42 17,-3.3 17,-2.9 -2,-0.4 2,-0.5 -0.958 5.4-159.3-117.7 130.1 -5.2 -19.1 19.1 35 74 A L E -Ab 50 167A 3 131,-2.4 133,-2.7 -2,-0.5 2,-0.6 -0.926 7.7-176.4-107.0 124.8 -8.0 -20.4 16.9 36 75 A N E +Ab 49 168A 85 13,-2.8 13,-2.4 -2,-0.5 2,-0.3 -0.888 26.8 165.9-122.7 97.5 -7.3 -23.6 14.9 37 76 A L E -Ab 48 169A 12 131,-3.0 133,-2.7 -2,-0.6 2,-0.4 -0.754 33.3-157.6-124.5 158.3 -10.3 -24.1 12.7 38 77 A S E -Ab 47 170A 37 9,-2.3 9,-2.0 -2,-0.3 2,-0.5 -0.999 16.8-144.3-134.1 131.4 -11.7 -26.0 9.8 39 78 A V E -A 46 0A 5 131,-3.0 2,-0.6 -2,-0.4 7,-0.2 -0.847 13.0-170.4 -99.2 123.1 -14.7 -24.9 7.7 40 79 A S E >> +A 45 0A 28 5,-2.6 5,-1.8 -2,-0.5 4,-1.2 -0.911 14.2 177.9-118.2 103.8 -17.0 -27.6 6.4 41 80 A F T 45S+ 0 0 35 -2,-0.6 -1,-0.2 1,-0.2 98,-0.1 0.802 84.9 63.0 -67.5 -32.4 -19.7 -26.4 3.9 42 81 A E T 45S+ 0 0 162 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.921 119.4 22.5 -56.4 -46.9 -20.8 -30.1 3.6 43 82 A K T 45S- 0 0 111 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.530 100.7-127.8 -98.9 -6.0 -21.8 -30.2 7.3 44 83 A S T <5 + 0 0 47 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.955 69.6 120.9 47.3 55.5 -22.3 -26.4 7.8 45 84 A A E < -A 40 0A 4 -5,-1.8 -5,-2.6 2,-0.0 2,-0.5 -0.992 57.3-146.7-141.3 149.1 -20.0 -26.6 10.8 46 85 A I E +A 39 0A 2 -2,-0.3 72,-2.7 -7,-0.2 2,-0.3 -0.972 32.0 171.0-109.9 132.6 -16.7 -25.0 12.0 47 86 A S E +AC 38 117A 29 -9,-2.0 -9,-2.3 -2,-0.5 2,-0.4 -0.872 21.4 85.2-136.5 166.2 -14.7 -27.4 14.1 48 87 A G E -AC 37 116A 27 68,-2.3 68,-2.7 -2,-0.3 2,-0.3 -0.998 67.9 -61.4 141.6-140.7 -11.2 -27.5 15.6 49 88 A S E -AC 36 115A 14 -13,-2.4 -13,-2.8 -2,-0.4 2,-0.4 -0.984 23.1-144.0-147.7 153.9 -9.8 -26.1 18.8 50 89 A V E -AC 35 114A 0 64,-2.1 64,-2.4 -2,-0.3 2,-0.5 -0.966 15.9-161.1-116.8 135.8 -9.1 -22.9 20.7 51 90 A T E -AC 34 113A 23 -17,-2.9 -17,-3.3 -2,-0.4 2,-0.4 -0.980 5.5-169.1-120.2 125.4 -6.0 -22.5 22.8 52 91 A F E -AC 33 112A 4 60,-2.8 60,-2.9 -2,-0.5 2,-0.7 -0.924 17.2-148.6-109.3 136.7 -5.8 -19.8 25.5 53 92 A Q E -AC 32 111A 77 -21,-2.7 -22,-2.2 -2,-0.4 -21,-1.2 -0.935 37.4-178.3 -95.3 119.1 -2.6 -18.8 27.3 54 93 A L E -AC 30 110A 1 56,-3.0 56,-2.3 -2,-0.7 2,-0.4 -0.812 26.6-153.5-122.1 159.8 -4.0 -17.8 30.7 55 94 A K E -AC 29 109A 81 -26,-1.9 -26,-2.4 -2,-0.3 54,-0.2 -0.979 22.0-128.8-133.8 123.2 -2.9 -16.4 34.1 56 95 A K E -A 28 0A 29 52,-2.6 2,-0.3 -2,-0.4 -28,-0.3 -0.487 25.1-145.8 -63.8 131.2 -4.6 -17.1 37.4 57 96 A L 0 0 72 -30,-2.8 -1,-0.0 -2,-0.2 -31,-0.0 -0.762 360.0 360.0 -98.7 147.6 -5.3 -13.8 39.2 58 97 A H 0 0 157 -2,-0.3 -1,-0.1 -30,-0.0 -30,-0.0 0.575 360.0 360.0-129.6 360.0 -5.1 -13.6 43.0 59 ! 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 60 101 A N 0 0 218 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.8 -11.2 -20.5 49.0 61 102 A K - 0 0 112 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.283 360.0-153.5 -56.7 150.1 -10.5 -20.8 45.3 62 103 A S - 0 0 95 2,-0.2 -1,-0.1 0, 0.0 40,-0.0 0.970 27.6-135.9 -57.6 -64.0 -12.7 -23.4 43.6 63 104 A D + 0 0 45 38,-0.1 40,-1.3 40,-0.1 2,-0.3 0.294 52.5 127.4-110.8 124.1 -10.6 -23.8 41.6 64 105 A E E -H 102 0B 71 38,-0.2 2,-0.4 40,-0.0 38,-0.2 -0.920 49.1-131.9-130.3 151.4 -12.5 -23.9 38.3 65 106 A L E -H 101 0B 0 36,-3.1 36,-3.2 -2,-0.3 2,-0.5 -0.874 23.6-164.8 -92.3 134.9 -12.5 -22.2 34.9 66 107 A H E +H 100 0B 35 -2,-0.4 -42,-1.6 34,-0.2 2,-0.3 -0.988 11.4 179.7-121.8 119.9 -15.9 -21.1 33.8 67 108 A L E -H 99 0B 0 32,-2.8 32,-3.1 -2,-0.5 2,-0.3 -0.839 27.6-113.3-118.4 159.5 -16.4 -20.3 30.1 68 109 A D B +J 155 0C 0 87,-2.6 87,-1.5 -2,-0.3 2,-0.3 -0.664 39.5 162.9 -84.6 140.0 -19.3 -19.1 28.0 69 110 A T - 0 0 2 28,-0.4 28,-2.4 -2,-0.3 2,-0.3 -0.958 19.1-166.7-147.6 158.6 -20.8 -21.4 25.3 70 111 A S S S- 0 0 8 80,-1.9 53,-0.3 -2,-0.3 26,-0.0 -0.868 76.3 -22.7-147.7 113.9 -24.0 -21.5 23.4 71 112 A Y S S+ 0 0 68 -2,-0.3 48,-0.7 1,-0.2 2,-0.3 0.860 93.8 145.6 52.9 39.5 -25.0 -24.6 21.4 72 113 A L E -D 118 0A 22 46,-0.1 2,-0.8 78,-0.1 -1,-0.2 -0.778 51.6-134.1 -98.3 152.3 -21.5 -25.8 21.0 73 114 A D E -D 117 0A 71 44,-2.6 44,-1.6 -2,-0.3 2,-0.6 -0.892 24.3-161.9 -98.8 97.0 -20.4 -29.4 21.0 74 115 A V E +D 116 0A 22 -2,-0.8 42,-0.2 42,-0.2 3,-0.1 -0.750 15.4 172.7 -84.4 123.8 -17.4 -29.4 23.4 75 116 A Q E - 0 0 81 40,-2.6 2,-0.3 -2,-0.6 41,-0.2 0.863 53.7 -2.7-104.9 -46.2 -15.4 -32.6 22.7 76 117 A E E -D 115 0A 76 39,-1.3 39,-2.4 2,-0.0 2,-0.4 -0.991 51.6-158.2-149.4 152.8 -12.2 -32.5 24.7 77 118 A V E -D 114 0A 0 -2,-0.3 7,-2.9 7,-0.3 2,-0.4 -0.995 10.4-177.9-135.9 132.6 -10.3 -30.3 27.1 78 119 A H E -DE 113 83A 45 35,-2.8 35,-3.1 -2,-0.4 2,-0.4 -0.976 10.3-164.7-126.8 140.0 -6.6 -30.3 27.9 79 120 A I E > S-DE 112 82A 12 3,-2.8 3,-2.0 -2,-0.4 33,-0.2 -0.996 82.4 -11.9-119.8 126.2 -4.5 -28.1 30.3 80 121 A D T 3 S- 0 0 78 31,-2.0 -1,-0.1 -2,-0.4 32,-0.1 0.914 131.1 -52.7 50.4 48.3 -0.8 -28.2 29.9 81 122 A G T 3 S+ 0 0 72 1,-0.2 2,-0.4 30,-0.2 -1,-0.3 0.305 118.3 108.4 77.2 -10.3 -1.0 -31.2 27.5 82 123 A S E < S-E 79 0A 80 -3,-2.0 -3,-2.8 1,-0.1 -1,-0.2 -0.810 77.9-102.7-108.0 144.5 -3.1 -33.2 30.0 83 124 A K E -E 78 0A 109 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.3 -0.324 39.8-155.1 -60.4 133.4 -6.7 -34.2 29.8 84 125 A A - 0 0 11 -7,-2.9 -7,-0.3 19,-0.0 19,-0.1 -0.929 17.7-112.5-119.2 137.1 -8.8 -32.0 32.2 85 126 A D + 0 0 122 -2,-0.4 17,-2.6 17,-0.2 2,-0.3 -0.401 45.8 167.4 -62.8 139.3 -12.1 -32.8 33.8 86 127 A F E -I 101 0B 66 15,-0.2 2,-0.3 -2,-0.1 15,-0.2 -0.988 20.4-167.2-152.8 157.6 -15.0 -30.6 32.5 87 128 A Q E -I 100 0B 131 13,-2.4 13,-2.9 -2,-0.3 2,-0.4 -0.985 17.0-138.2-148.9 134.1 -18.8 -30.4 32.5 88 129 A I E -I 99 0B 65 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.762 23.6-138.9 -88.1 136.0 -21.3 -28.4 30.5 89 130 A E - 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0 0 0 -2,-0.3 4,-1.7 -113,-0.2 3,-0.3 -0.610 41.1 -98.6-111.3 173.1 -17.3 2.0 32.2 423 467 A T H > S+ 0 0 0 1,-0.2 4,-2.6 -2,-0.2 5,-0.1 0.851 120.0 59.9 -59.6 -35.1 -19.1 5.4 32.1 424 468 A F H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 104.8 48.0 -65.6 -38.0 -17.8 6.3 35.5 425 469 A Q H > S+ 0 0 36 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.856 108.6 55.5 -69.4 -35.0 -14.2 6.0 34.3 426 470 A F H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.964 109.8 46.7 -57.2 -50.2 -15.2 8.1 31.3 427 471 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.898 109.0 52.8 -63.4 -44.6 -16.5 10.8 33.7 428 472 A D H X S+ 0 0 31 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.897 110.7 49.1 -52.5 -45.3 -13.4 10.7 36.0 429 473 A T H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.899 109.2 51.3 -65.1 -40.8 -11.2 11.2 32.9 430 474 A L H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.949 114.0 45.0 -61.0 -46.6 -13.3 14.2 31.7 431 475 A Y H < S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 111.7 50.4 -67.8 -40.3 -13.0 15.8 35.1 432 476 A E H < S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.859 110.8 51.9 -63.8 -32.4 -9.3 15.1 35.5 433 477 A F H < S+ 0 0 60 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.831 111.2 44.3 -76.0 -32.5 -8.7 16.7 32.1 434 478 A Y >< + 0 0 14 -4,-1.5 3,-1.1 1,-0.2 -1,-0.2 -0.511 59.3 152.1-115.4 63.9 -10.6 19.9 32.6 435 479 A P G > S+ 0 0 97 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.881 78.9 51.4 -56.6 -40.3 -9.6 21.3 36.1 436 480 A E G 3 S+ 0 0 199 1,-0.2 3,-0.2 -3,-0.2 -2,-0.1 0.658 109.3 51.5 -73.5 -14.6 -10.2 24.8 35.0 437 481 A K G <> + 0 0 53 -3,-1.1 4,-1.8 1,-0.2 3,-0.2 0.057 68.1 122.0-111.9 25.8 -13.7 23.9 33.7 438 482 A K H <> S+ 0 0 85 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.835 74.1 52.7 -58.7 -35.8 -15.0 22.2 36.8 439 483 A E H > S+ 0 0 171 -3,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.894 107.2 51.5 -71.1 -39.0 -18.0 24.6 37.1 440 484 A I H 4 S+ 0 0 65 -3,-0.2 4,-0.4 1,-0.2 3,-0.3 0.879 112.7 46.1 -61.1 -38.8 -19.1 24.0 33.5 441 485 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.828 108.3 55.6 -76.3 -32.1 -19.0 20.2 34.0 442 486 A D H 3< S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.670 100.2 61.5 -72.7 -16.7 -20.9 20.5 37.3 443 487 A S T 3< S+ 0 0 91 -4,-0.9 2,-0.3 -3,-0.3 -1,-0.2 0.656 80.1 102.6 -81.5 -17.0 -23.6 22.4 35.5 444 488 A V S < S- 0 0 6 -3,-0.8 2,-2.2 -4,-0.4 3,-0.2 -0.527 80.2-128.9 -65.9 125.0 -24.3 19.3 33.2 445 489 A D >> + 0 0 85 -2,-0.3 4,-2.2 1,-0.2 3,-0.7 -0.506 35.8 174.7 -75.1 79.3 -27.4 17.5 34.5 446 490 A W H 3> S+ 0 0 8 -2,-2.2 4,-2.6 1,-0.3 5,-0.4 0.820 72.4 59.8 -59.1 -30.4 -25.6 14.2 34.6 447 491 A E H 3> S+ 0 0 64 -3,-0.2 4,-1.6 2,-0.2 5,-0.4 0.887 108.4 41.3 -66.9 -41.7 -28.6 12.6 36.1 448 492 A T H <> S+ 0 0 35 -3,-0.7 4,-1.2 3,-0.2 -2,-0.2 0.941 118.4 45.9 -72.3 -47.2 -30.9 13.4 33.2 449 493 A W H < S+ 0 0 15 -4,-2.2 -83,-0.5 1,-0.2 -2,-0.2 0.934 123.9 30.4 -61.7 -49.8 -28.4 12.6 30.5 450 494 A L H < S+ 0 0 0 -4,-2.6 -83,-2.5 -5,-0.2 -3,-0.2 0.871 134.5 17.0 -82.7 -37.4 -27.2 9.3 31.9 451 495 A Y H < S+ 0 0 36 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.451 96.6 94.3-122.2 -1.0 -30.2 7.8 33.8 452 496 A K < - 0 0 114 -4,-1.2 -86,-0.4 -5,-0.4 2,-0.1 -0.758 65.9-125.6-100.8 144.1 -33.4 9.5 32.8 453 497 A P + 0 0 45 0, 0.0 -88,-0.1 0, 0.0 -92,-0.1 -0.304 63.0 35.9 -76.8 163.1 -35.7 8.1 30.0 454 498 A G S S- 0 0 22 -94,-0.3 -2,-0.0 -2,-0.1 -103,-0.0 -0.300 98.6 -24.0 94.1-176.3 -37.0 10.0 26.9 455 499 A M - 0 0 50 -2,-0.1 3,-0.1 1,-0.1 -91,-0.0 -0.488 62.8-130.1 -70.4 138.3 -35.6 12.6 24.5 456 500 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.266 49.7 -62.0 -75.7 178.8 -32.8 14.7 25.8 457 501 A P - 0 0 86 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.375 64.0-111.1 -59.8 142.7 -32.9 18.5 25.5 458 502 A R - 0 0 185 -3,-0.1 -3,-0.0 1,-0.1 2,-0.0 -0.594 27.7-141.8 -86.0 125.2 -32.9 19.4 21.8 459 503 A P - 0 0 30 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.253 23.3-107.0 -76.9 172.0 -29.9 21.1 20.3 460 504 A H - 0 0 183 2,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.690 43.9-170.4-101.4 81.3 -30.0 23.9 17.8 461 505 A F - 0 0 17 -2,-1.0 2,-0.4 1,-0.1 -120,-0.0 -0.387 32.6-106.0 -71.7 144.0 -28.8 22.2 14.6 462 506 A I - 0 0 71 -126,-0.2 3,-0.2 1,-0.1 -118,-0.2 -0.584 35.5-170.0 -65.0 120.2 -27.9 24.1 11.5 463 507 A T >> + 0 0 57 -2,-0.4 3,-2.0 1,-0.2 4,-1.5 0.328 47.3 116.4-102.7 9.2 -31.0 23.2 9.3 464 508 A A H >> S+ 0 0 47 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.856 76.3 45.8 -44.1 -52.4 -29.7 24.7 6.0 465 509 A L H 34 S+ 0 0 53 -128,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.476 116.6 46.2 -79.5 0.3 -29.5 21.4 4.0 466 510 A A H <> S+ 0 0 0 -3,-2.0 4,-3.1 2,-0.1 -1,-0.2 0.570 92.5 78.2-109.4 -18.3 -33.0 20.3 5.2 467 511 A D H S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.953 111.1 46.7 -65.3 -51.4 -36.4 19.5 1.6 470 514 A Y H X S+ 0 0 36 -4,-3.1 4,-2.4 1,-0.2 48,-0.4 0.908 110.4 54.2 -57.9 -44.9 -39.0 20.6 4.1 471 515 A Q H X S+ 0 0 134 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.927 109.9 46.3 -55.7 -46.8 -40.3 23.3 1.9 472 516 A L H X S+ 0 0 16 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.933 110.9 50.6 -64.6 -48.3 -40.9 21.0 -1.0 473 517 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.935 112.5 48.4 -56.4 -45.6 -42.6 18.3 1.0 474 518 A D H X S+ 0 0 22 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.947 111.3 50.6 -54.8 -49.0 -44.9 21.0 2.4 475 519 A K H X S+ 0 0 68 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.892 110.7 48.7 -58.9 -43.6 -45.5 22.3 -1.1 476 520 A W H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.905 109.6 52.1 -61.9 -44.0 -46.4 18.8 -2.3 477 521 A V H < S+ 0 0 7 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.903 114.6 43.4 -60.1 -39.2 -48.8 18.3 0.6 478 522 A E H >< S+ 0 0 60 -4,-2.2 3,-1.5 1,-0.2 4,-0.2 0.938 113.0 48.5 -71.1 -50.1 -50.5 21.6 -0.2 479 523 A M H >X S+ 0 0 41 -4,-2.7 4,-3.0 1,-0.3 3,-1.2 0.731 97.2 71.3 -67.3 -23.9 -50.7 21.2 -4.0 480 524 A A T 3< S+ 0 0 1 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.762 102.9 44.6 -61.1 -26.1 -52.1 17.7 -3.7 481 525 A Q T <4 S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.431 122.8 36.1 -97.4 -3.7 -55.4 19.3 -2.4 482 526 A H T <4 S+ 0 0 113 -3,-1.2 -2,-0.2 -4,-0.2 -3,-0.1 0.767 101.6 67.9-117.2 -49.6 -55.4 22.1 -5.0 483 527 A L < + 0 0 31 -4,-3.0 51,-0.1 1,-0.1 3,-0.1 -0.481 52.5 178.6 -76.2 147.1 -54.1 20.7 -8.4 484 528 A K + 0 0 117 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.785 55.8 49.9-113.5 -59.9 -56.3 18.1 -10.1 485 529 A T S >> S- 0 0 63 1,-0.1 4,-1.7 48,-0.0 3,-0.8 -0.509 80.4-117.9 -87.9 153.6 -54.9 16.9 -13.4 486 530 A T H 3> S+ 0 0 53 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.850 117.3 61.6 -53.9 -38.4 -51.4 15.7 -14.0 487 531 A E H 3> S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.898 101.1 52.2 -53.9 -44.2 -51.0 18.6 -16.4 488 532 A D H X> S+ 0 0 53 -3,-0.8 4,-1.3 1,-0.2 3,-0.6 0.941 109.1 50.4 -57.8 -47.6 -51.7 21.0 -13.4 489 533 A F H 3X S+ 0 0 2 -4,-1.7 4,-3.5 1,-0.3 3,-0.4 0.879 105.0 54.9 -61.7 -40.5 -48.9 19.2 -11.5 490 534 A R H 3< S+ 0 0 130 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.781 105.2 55.5 -66.1 -26.1 -46.3 19.5 -14.3 491 535 A S H << S+ 0 0 103 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.822 117.6 34.1 -73.2 -32.1 -47.0 23.3 -14.3 492 536 A E H < S+ 0 0 74 -4,-1.3 2,-0.3 -3,-0.4 -2,-0.2 0.834 123.8 38.0 -86.8 -38.1 -46.2 23.5 -10.6 493 537 A F < + 0 0 3 -4,-3.5 2,-0.3 -5,-0.2 -1,-0.1 -0.847 58.3 165.0-120.1 146.8 -43.5 20.8 -10.3 494 538 A N > - 0 0 70 -2,-0.3 3,-3.2 -3,-0.1 4,-0.4 -0.993 52.9 -94.9-156.3 168.0 -40.6 19.5 -12.3 495 539 A A G >> S+ 0 0 31 1,-0.3 3,-1.2 -2,-0.3 4,-0.6 0.742 113.4 75.5 -44.1 -26.6 -37.4 17.4 -12.2 496 540 A I G >4 S+ 0 0 106 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.793 81.4 65.8 -56.6 -32.8 -35.6 20.6 -11.6 497 541 A D G <4 S+ 0 0 45 -3,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.705 110.8 33.1 -76.2 -15.1 -36.7 20.9 -8.0 498 542 A I G X4 S+ 0 0 1 -3,-1.2 3,-2.4 -4,-0.4 -1,-0.3 0.371 85.3 105.6-114.3 2.6 -34.8 17.9 -6.8 499 543 A K T << S+ 0 0 145 -4,-0.6 -2,-0.1 -3,-0.6 -1,-0.1 0.785 88.2 42.8 -48.6 -32.1 -31.9 18.2 -9.2 500 544 A D T 3 S+ 0 0 139 -4,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.346 88.4 111.2 -99.5 4.9 -29.8 19.4 -6.2 501 545 A F < - 0 0 23 -3,-2.4 -3,-0.1 4,-0.1 -4,-0.0 -0.711 56.7-150.1 -82.6 118.6 -31.1 16.8 -3.7 502 546 A N > - 0 0 73 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.160 38.5 -91.7 -69.2 179.0 -28.4 14.3 -2.7 503 547 A S H > S+ 0 0 11 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.883 128.8 53.0 -67.7 -36.9 -29.6 10.8 -1.7 504 548 A N H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 110.6 48.0 -60.8 -38.7 -29.9 11.8 2.0 505 549 A Q H > S+ 0 0 15 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.907 111.2 49.8 -71.2 -40.8 -32.0 14.7 1.0 506 550 A L H X S+ 0 0 10 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.919 111.6 49.5 -59.2 -46.0 -34.2 12.5 -1.2 507 551 A V H X S+ 0 0 24 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.947 113.3 45.4 -57.9 -49.9 -34.6 10.1 1.6 508 552 A L H X S+ 0 0 9 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.905 112.9 52.3 -60.0 -43.9 -35.5 12.9 4.0 509 553 A F H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.962 112.0 43.2 -54.4 -56.2 -37.9 14.3 1.4 510 554 A L H X S+ 0 0 3 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.843 115.1 52.0 -61.8 -36.2 -39.7 11.0 0.8 511 555 A E H >X S+ 0 0 23 -4,-2.4 4,-1.7 -5,-0.3 3,-0.9 0.985 108.1 49.7 -59.7 -58.7 -39.8 10.5 4.6 512 556 A T H 3<>S+ 0 0 7 -4,-3.3 5,-2.7 1,-0.3 -2,-0.2 0.832 106.7 57.8 -51.1 -37.9 -41.3 14.0 5.2 513 557 A L H ><5S+ 0 0 0 -4,-2.2 3,-1.2 3,-0.3 -1,-0.3 0.883 105.5 47.2 -61.9 -42.1 -44.0 13.2 2.6 514 558 A T H <<5S+ 0 0 7 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.765 109.0 54.5 -72.4 -24.1 -45.2 10.1 4.4 515 559 A Q T 3<5S- 0 0 109 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.351 119.8-125.3 -77.2 3.3 -45.1 12.3 7.5 516 560 A N T < 5 - 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