==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-09 3FUI . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES . 606 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 15.2 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 2 0 1 1 1 0 1 4 3 2 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 1 3 1 2 2 1 1 0 1 1 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 1 2 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 5 A D > 0 0 65 0, 0.0 3,-1.7 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 94.3 17.8 11.4 3.6 2 6 A T T 3 + 0 0 58 1,-0.3 365,-0.4 3,-0.0 304,-0.0 0.535 360.0 58.2 -68.8 -7.3 20.5 9.6 1.6 3 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.3 364,-0.1 -1,-0.3 0.502 98.1 72.7 -98.9 -5.2 18.1 8.4 -1.1 4 8 A S < - 0 0 19 -3,-1.7 141,-0.1 1,-0.1 139,-0.1 -0.859 51.0-170.0-116.0 147.0 16.8 11.9 -2.0 5 9 A L + 0 0 34 -2,-0.3 -1,-0.1 73,-0.2 138,-0.1 0.438 61.1 105.8-106.6 -9.8 18.5 14.7 -3.9 6 10 A A S S- 0 0 13 1,-0.1 44,-0.2 136,-0.1 -2,-0.1 -0.171 87.9 -80.7 -65.1 163.7 15.7 17.2 -3.0 7 11 A S - 0 0 14 42,-2.4 -1,-0.1 1,-0.1 44,-0.1 -0.492 57.2-116.4 -58.1 130.0 16.0 20.1 -0.5 8 12 A P >> - 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-1.8 -0.196 23.7-102.1 -68.8 166.2 15.5 18.5 3.0 9 13 A A T 34 S+ 0 0 13 1,-0.3 -2,-0.1 2,-0.2 4,-0.0 0.622 120.4 68.1 -66.9 -15.5 12.6 19.4 5.3 10 14 A S T 34 S+ 0 0 85 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.793 108.4 37.9 -69.9 -24.6 15.0 21.6 7.2 11 15 A V T <4 S- 0 0 26 -3,-2.0 30,-3.1 1,-0.4 31,-0.5 0.907 133.6 -26.9 -92.6 -52.4 15.1 23.9 4.2 12 16 A C E < -A 40 0A 1 -4,-1.8 -1,-0.4 28,-0.3 2,-0.4 -0.975 57.5-145.2-158.0 156.2 11.6 23.9 2.8 13 17 A R E -A 39 0A 94 26,-2.4 26,-2.9 -2,-0.3 2,-0.3 -0.993 15.9-125.7-135.7 139.8 8.6 21.6 2.9 14 18 A T E +A 38 0A 4 -2,-0.4 24,-0.2 24,-0.2 135,-0.2 -0.588 25.5 175.0 -71.5 130.4 5.8 20.7 0.5 15 19 A K E + 0 0 88 22,-2.8 136,-2.5 1,-0.3 2,-0.3 0.616 64.7 12.1-105.6 -26.7 2.4 21.1 2.2 16 20 A H E -Ab 37 151A 45 21,-1.2 21,-2.8 134,-0.3 2,-0.5 -0.997 53.6-157.1-158.1 145.0 0.2 20.3 -0.9 17 21 A L E -Ab 36 152A 0 134,-1.6 136,-2.5 -2,-0.3 2,-0.6 -0.992 2.3-168.3-122.4 126.2 0.1 19.0 -4.4 18 22 A H E -Ab 35 153A 48 17,-2.3 17,-3.0 -2,-0.5 2,-0.5 -0.965 15.4-168.7-107.5 117.8 -2.4 19.7 -6.9 19 23 A L E +Ab 34 154A 5 134,-2.3 136,-2.4 -2,-0.6 2,-0.5 -0.917 12.8 177.2-106.1 123.5 -1.9 17.4 -9.8 20 24 A R E +Ab 33 155A 105 13,-2.5 13,-2.5 -2,-0.5 2,-0.3 -0.988 25.3 150.6-118.9 120.1 -3.7 17.9 -13.2 21 25 A C E -Ab 32 156A 10 134,-2.3 136,-3.0 -2,-0.5 2,-0.4 -0.946 39.8-137.9-147.1 164.8 -2.7 15.3 -15.7 22 26 A S E -Ab 31 157A 38 9,-2.2 9,-2.1 -2,-0.3 2,-0.8 -0.992 20.2-137.3-126.1 133.6 -3.8 13.3 -18.7 23 27 A V E -A 30 0A 0 134,-2.9 2,-0.9 -2,-0.4 7,-0.2 -0.825 19.0-164.5 -95.9 106.0 -3.0 9.6 -19.1 24 28 A D E >> +A 29 0A 39 5,-3.0 5,-1.9 -2,-0.8 4,-1.2 -0.785 14.2 178.2-100.8 98.1 -1.9 9.0 -22.7 25 29 A F T 45S+ 0 0 35 -2,-0.9 -1,-0.2 1,-0.2 101,-0.1 0.726 80.5 60.2 -68.5 -26.7 -1.9 5.2 -23.6 26 30 A T T 45S+ 0 0 136 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.838 121.8 24.3 -71.5 -31.9 -0.8 5.8 -27.2 27 31 A R T 45S- 0 0 115 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.500 100.9-128.5-108.1 -4.3 2.4 7.4 -26.0 28 32 A R T <5 + 0 0 93 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.919 67.0 128.8 47.4 49.6 2.6 5.7 -22.6 29 33 A T E < -A 24 0A 4 -5,-1.9 -5,-3.0 78,-0.1 2,-0.5 -0.972 56.0-147.0-129.3 146.3 3.0 9.1 -21.0 30 34 A L E -A 23 0A 2 -2,-0.4 74,-2.5 -7,-0.2 2,-0.4 -0.962 28.3-172.6-105.0 127.6 1.4 11.0 -18.2 31 35 A T E +AC 22 103A 51 -9,-2.1 -9,-2.2 -2,-0.5 2,-0.3 -0.984 26.9 77.0-125.5 135.3 1.4 14.8 -19.1 32 36 A G E -AC 21 102A 16 70,-2.5 70,-3.0 -2,-0.4 2,-0.4 -0.974 66.3 -53.8 169.6-151.2 0.4 17.7 -16.9 33 37 A T E -AC 20 101A 13 -13,-2.5 -13,-2.5 -2,-0.3 2,-0.6 -0.975 23.1-160.1-128.6 137.8 1.1 20.1 -14.1 34 38 A A E -AC 19 100A 0 66,-2.0 66,-2.8 -2,-0.4 2,-0.8 -0.979 10.9-162.5-112.8 110.8 2.1 19.5 -10.5 35 39 A A E -AC 18 99A 9 -17,-3.0 -17,-2.3 -2,-0.6 2,-0.6 -0.874 10.6-164.9 -94.9 103.6 1.4 22.7 -8.4 36 40 A L E -AC 17 98A 3 62,-3.0 62,-2.6 -2,-0.8 2,-0.9 -0.833 12.5-149.8 -92.8 117.9 3.4 22.2 -5.3 37 41 A T E -AC 16 97A 32 -21,-2.8 -22,-2.8 -2,-0.6 -21,-1.2 -0.794 27.8-170.2 -83.5 109.5 2.5 24.5 -2.4 38 42 A V E -AC 14 96A 2 58,-2.5 58,-2.0 -2,-0.9 2,-0.5 -0.839 16.1-153.9-110.5 137.8 5.9 24.9 -0.7 39 43 A Q E -AC 13 95A 28 -26,-2.9 -26,-2.4 -2,-0.4 56,-0.2 -0.933 18.7-129.6-109.7 122.6 6.7 26.5 2.7 40 44 A S E -A 12 0A 0 54,-2.7 53,-2.3 -2,-0.5 -28,-0.3 -0.396 16.9-172.1 -62.0 140.1 10.1 27.9 3.4 41 45 A Q + 0 0 38 -30,-3.1 2,-0.3 51,-0.2 -29,-0.2 0.237 68.8 61.7-109.9 5.2 11.8 26.7 6.6 42 46 A E S > S- 0 0 80 -31,-0.5 3,-0.7 49,-0.2 2,-0.1 -0.968 85.6-105.9-132.9 148.5 14.6 29.3 6.2 43 47 A D T 3 S+ 0 0 121 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.442 100.1 6.9 -61.0 138.7 15.2 33.0 6.0 44 48 A N T 3 S- 0 0 81 46,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.872 79.3-178.1 54.3 44.2 15.9 34.4 2.5 45 49 A L E < +H 90 0B 8 45,-2.3 45,-2.5 -3,-0.7 -1,-0.2 -0.643 12.3 167.1 -73.7 129.2 15.4 31.2 0.6 46 50 A R E + 0 0 156 -2,-0.4 40,-2.0 1,-0.3 2,-0.3 0.468 59.4 21.9-126.2 -11.6 16.1 31.8 -3.1 47 51 A S E -H 85 0B 48 38,-0.2 2,-0.3 40,-0.0 -1,-0.3 -0.985 56.9-165.8-147.9 159.4 16.2 28.3 -4.7 48 52 A L E -H 84 0B 2 36,-1.5 36,-2.9 -2,-0.3 2,-0.4 -0.978 16.0-132.0-141.2 160.7 15.0 24.9 -3.9 49 53 A V E -H 83 0B 31 -2,-0.3 -42,-2.4 34,-0.2 2,-0.3 -0.931 17.9-167.4-117.9 132.9 15.8 21.4 -5.3 50 54 A L E -H 82 0B 2 32,-2.5 32,-2.4 -2,-0.4 2,-0.4 -0.769 22.8-116.6-110.3 157.6 13.3 18.6 -6.4 51 55 A D E +HI 81 142B 0 91,-3.3 91,-1.5 -2,-0.3 2,-0.3 -0.791 38.2 168.6 -86.0 139.1 13.7 14.9 -7.2 52 56 A T E -H 80 0B 3 28,-0.7 28,-1.4 -2,-0.4 2,-0.3 -0.963 18.0-168.5-141.9 162.1 13.0 13.8 -10.8 53 57 A K S S- 0 0 15 84,-1.4 52,-0.3 -2,-0.3 56,-0.1 -0.805 75.9 -23.7-153.6 108.2 13.6 10.6 -12.7 54 58 A D S S+ 0 0 38 -2,-0.3 51,-0.6 1,-0.2 2,-0.3 0.774 93.6 145.7 60.5 31.5 13.2 10.5 -16.5 55 59 A L E -D 104 0A 15 49,-0.2 2,-0.5 82,-0.1 -1,-0.2 -0.667 45.7-139.4 -94.2 151.4 10.8 13.4 -16.6 56 60 A T E -D 103 0A 83 47,-2.7 47,-1.4 -2,-0.3 2,-0.6 -0.966 18.2-151.3-107.5 120.9 10.6 16.0 -19.3 57 61 A I E +D 102 0A 18 -2,-0.5 45,-0.2 45,-0.2 3,-0.1 -0.844 18.8 178.3 -98.4 123.6 10.1 19.5 -17.9 58 62 A E E - 0 0 140 43,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.838 63.8 -35.4 -85.1 -42.9 8.3 22.0 -20.1 59 63 A K E -D 101 0A 70 42,-1.1 42,-2.1 2,-0.0 2,-0.5 -0.964 43.7-128.5-176.0 156.3 8.3 25.0 -17.8 60 64 A V E -D 100 0A 1 7,-0.5 7,-2.3 -2,-0.3 2,-0.5 -0.990 25.9-164.7-122.1 122.1 8.2 26.2 -14.2 61 65 A V E +DE 99 66A 23 38,-2.7 38,-2.4 -2,-0.5 2,-0.4 -0.929 12.9 171.2-113.8 121.8 5.6 28.9 -13.3 62 66 A I E > S- E 0 65A 2 3,-2.4 3,-1.6 -2,-0.5 36,-0.1 -0.998 75.2 -5.8-126.4 133.9 5.6 31.0 -10.2 63 67 A N T 3 S- 0 0 110 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.877 130.5 -56.7 52.6 39.0 3.3 34.1 -9.7 64 68 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.505 119.2 96.3 79.1 4.1 2.1 33.7 -13.3 65 69 A Q E < S-E 62 0A 144 -3,-1.6 -3,-2.4 0, 0.0 -1,-0.2 -0.953 75.8-110.2-126.2 147.5 5.6 34.0 -14.9 66 70 A E E -E 61 0A 133 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.430 39.2-163.5 -69.7 148.5 8.1 31.3 -16.1 67 71 A V - 0 0 23 -7,-2.3 -7,-0.5 -2,-0.1 2,-0.2 -0.841 23.4 -83.2-133.7 166.7 11.3 31.0 -14.0 68 72 A K + 0 0 163 -2,-0.3 17,-3.4 17,-0.3 2,-0.3 -0.498 47.4 161.1 -70.1 136.3 14.7 29.5 -14.2 69 73 A Y E -J 84 0B 80 15,-0.2 2,-0.4 -2,-0.2 15,-0.2 -0.976 17.5-159.7-145.8 156.7 15.3 25.9 -13.4 70 74 A A E -J 83 0B 57 13,-2.3 13,-2.5 -2,-0.3 2,-0.5 -0.999 12.0-141.2-137.5 141.8 18.1 23.5 -14.2 71 75 A L E -J 82 0B 78 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.916 22.2-149.5 -96.9 124.1 18.4 19.7 -14.3 72 76 A G - 0 0 38 9,-2.9 3,-0.1 -2,-0.5 2,-0.0 -0.176 38.2 -64.5 -79.0-178.9 21.6 18.3 -12.9 73 77 A E - 0 0 173 1,-0.1 2,-0.2 7,-0.1 -1,-0.2 -0.322 59.8 -95.4 -69.9 148.4 23.3 15.0 -14.0 74 78 A R - 0 0 104 6,-0.2 2,-0.4 1,-0.1 6,-0.2 -0.455 29.1-158.9 -63.8 129.2 21.6 11.7 -13.5 75 79 A Q > - 0 0 89 4,-3.1 3,-1.8 1,-0.3 -1,-0.1 -0.513 42.0-105.2-108.1 61.6 22.7 10.0 -10.3 76 80 A S G > S+ 0 0 79 -2,-0.4 3,-1.8 1,-0.3 -1,-0.3 -0.284 95.4 1.1 63.1-133.7 21.7 6.5 -11.2 77 81 A Y G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.538 127.9 67.0 -66.5 -9.2 18.6 5.1 -9.5 78 82 A K G < S- 0 0 22 -3,-1.8 -26,-0.3 1,-0.3 -1,-0.3 0.650 95.4-149.6 -82.6 -17.6 18.2 8.5 -7.7 79 83 A G < - 0 0 0 -3,-1.8 -4,-3.1 -28,-0.1 -26,-0.3 -0.465 34.6 -40.9 80.9-154.8 17.4 10.3 -10.9 80 84 A S E -H 52 0B 21 -28,-1.4 -28,-0.7 -6,-0.2 2,-0.2 -0.937 51.3-126.1-118.8 130.3 18.3 13.9 -11.7 81 85 A P E -H 51 0B 23 0, 0.0 -9,-2.9 0, 0.0 2,-0.6 -0.485 17.8-150.4 -74.4 140.3 18.0 16.9 -9.2 82 86 A M E -HJ 50 71B 0 -32,-2.4 -32,-2.5 -11,-0.2 2,-0.4 -0.938 6.5-159.8-115.9 107.8 16.0 19.9 -10.4 83 87 A E E -HJ 49 70B 100 -13,-2.5 -13,-2.3 -2,-0.6 2,-0.4 -0.738 8.9-159.5 -87.2 132.3 17.1 23.2 -9.0 84 88 A I E -HJ 48 69B 0 -36,-2.9 -36,-1.5 -2,-0.4 2,-0.7 -0.941 10.5-140.1-118.5 131.1 14.4 26.0 -9.2 85 89 A S E -H 47 0B 50 -17,-3.4 -17,-0.3 -2,-0.4 -38,-0.2 -0.815 18.0-141.1 -93.0 115.0 15.2 29.7 -9.1 86 90 A L E - 0 0 17 -40,-2.0 3,-0.1 -2,-0.7 -17,-0.0 -0.527 5.3-141.2 -72.5 135.2 12.6 31.5 -7.0 87 91 A P E S+ 0 0 69 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.770 89.1 27.3 -69.2 -24.1 11.6 35.0 -8.5 88 92 A I E S- 0 0 111 -43,-0.1 2,-0.1 -42,-0.0 -43,-0.1 -0.993 91.5-109.1-140.6 131.5 11.4 36.5 -4.9 89 93 A A E - 0 0 29 -2,-0.4 2,-0.3 -3,-0.1 -43,-0.2 -0.355 34.8-137.3 -58.6 134.7 13.3 35.5 -1.8 90 94 A L E -H 45 0B 4 -45,-2.5 -45,-2.3 -2,-0.1 -46,-0.3 -0.722 5.7-140.5-100.4 140.6 11.1 33.9 0.9 91 95 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3,-0.2 -0.628 40.2 -96.5-108.9 171.2 13.6 7.5 13.4 417 421 A T H > S+ 0 0 0 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.865 124.3 52.7 -52.3 -42.1 14.7 4.5 15.4 418 422 A D H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.818 104.9 54.4 -69.7 -33.6 15.9 6.7 18.3 419 423 A D H > S+ 0 0 56 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.946 113.0 43.6 -58.7 -49.8 12.5 8.5 18.4 420 424 A W H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.906 115.6 47.1 -60.3 -45.8 10.9 5.1 18.8 421 425 A K H X S+ 0 0 53 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.874 111.6 51.9 -64.7 -41.2 13.4 3.9 21.4 422 426 A D H X S+ 0 0 117 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.903 112.0 45.3 -59.6 -48.3 13.2 7.1 23.3 423 427 A F H X S+ 0 0 29 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.889 109.7 55.7 -66.3 -38.2 9.4 6.8 23.4 424 428 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.911 110.3 45.6 -55.3 -46.3 9.7 3.1 24.4 425 429 A Y H < S+ 0 0 50 -4,-2.1 6,-0.2 2,-0.2 -1,-0.2 0.849 113.7 49.1 -68.9 -39.2 11.8 4.0 27.4 426 430 A S H >< S+ 0 0 79 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.961 111.8 48.3 -63.7 -50.7 9.5 6.9 28.4 427 431 A Y H 3< S+ 0 0 95 -4,-3.3 3,-0.2 1,-0.3 -2,-0.2 0.854 120.6 36.7 -57.9 -39.1 6.4 4.6 28.2 428 432 A F T >< S+ 0 0 12 -4,-2.0 3,-2.4 -5,-0.2 -1,-0.3 -0.276 71.9 139.1-108.4 41.4 8.0 1.8 30.2 429 433 A K G X S+ 0 0 144 -3,-1.4 3,-1.0 1,-0.3 4,-0.2 0.836 73.0 57.1 -57.5 -29.8 10.0 4.0 32.7 430 434 A D G 3 S+ 0 0 141 1,-0.2 -1,-0.3 -3,-0.2 3,-0.1 0.480 111.5 42.7 -76.4 -1.5 9.0 1.7 35.5 431 435 A K G <> S+ 0 0 68 -3,-2.4 4,-1.8 -6,-0.2 3,-0.3 -0.001 74.7 121.4-134.2 28.8 10.6 -1.2 33.5 432 436 A V H <> S+ 0 0 44 -3,-1.0 4,-1.8 1,-0.2 5,-0.1 0.820 70.5 58.5 -64.6 -34.4 13.7 0.5 32.4 433 437 A D H 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.882 106.6 49.2 -69.1 -33.3 16.0 -2.0 34.1 434 438 A V H >4 S+ 0 0 41 -3,-0.3 3,-1.6 1,-0.2 4,-0.3 0.907 109.9 51.2 -64.8 -46.5 14.4 -4.7 32.0 435 439 A L H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.3 -2,-0.2 0.766 100.5 64.0 -61.0 -30.0 14.9 -2.6 28.8 436 440 A N T 3< S+ 0 0 100 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.456 91.4 66.2 -76.1 0.2 18.6 -2.2 29.8 437 441 A Q T < S+ 0 0 131 -3,-1.6 2,-0.3 -5,-0.1 -1,-0.2 0.608 79.2 101.1 -93.5 -14.8 19.0 -5.9 29.4 438 442 A V S < S- 0 0 9 -3,-1.2 2,-1.6 -4,-0.3 3,-0.2 -0.531 77.4-131.5 -71.0 131.3 18.3 -5.7 25.6 439 443 A D > + 0 0 86 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 -0.656 36.1 173.3 -78.5 82.0 21.4 -5.8 23.5 440 444 A W H > S+ 0 0 23 -2,-1.6 4,-2.6 1,-0.2 5,-0.4 0.817 72.8 56.0 -62.5 -38.5 20.3 -2.7 21.4 441 445 A N H > S+ 0 0 104 -3,-0.2 4,-1.9 2,-0.2 5,-0.5 0.911 113.2 41.2 -65.2 -41.2 23.5 -2.4 19.5 442 446 A A H > S+ 0 0 14 3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.967 116.0 48.3 -67.4 -57.1 23.1 -6.0 18.3 443 447 A W H < S+ 0 0 1 -4,-2.9 -82,-0.4 1,-0.2 -2,-0.2 0.905 126.0 26.6 -50.5 -47.4 19.3 -5.9 17.6 444 448 A L H < S+ 0 0 2 -4,-2.6 -82,-2.4 -5,-0.2 -1,-0.2 0.841 133.5 24.1 -86.7 -37.5 19.5 -2.6 15.7 445 449 A Y H < S+ 0 0 87 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.556 98.0 88.6-118.0 -8.7 23.0 -2.3 14.1 446 450 A S < - 0 0 38 -4,-1.5 -85,-0.4 -5,-0.5 -84,-0.1 -0.687 67.0-124.3 -97.2 145.4 24.4 -5.9 13.8 447 451 A P + 0 0 47 0, 0.0 -87,-0.1 0, 0.0 -93,-0.1 -0.305 66.4 34.8 -77.5 162.3 24.0 -8.3 10.9 448 452 A G S S- 0 0 6 -92,-0.3 -93,-0.1 -95,-0.3 -2,-0.1 -0.228 101.7 -19.1 95.9-175.8 22.6 -11.9 11.2 449 453 A L S S- 0 0 79 1,-0.1 4,-0.1 -103,-0.1 -68,-0.0 -0.329 85.3 -86.1 -63.1 148.3 20.0 -13.5 13.2 450 454 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.059 32.9-117.8 -51.8 155.7 18.9 -11.6 16.4 451 455 A P S S+ 0 0 69 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.746 99.9 38.9 -67.4 -21.8 21.0 -12.2 19.6 452 456 A I S S- 0 0 74 -13,-0.1 -64,-0.1 -9,-0.0 0, 0.0 -0.980 71.8-146.3-132.3 138.8 17.9 -13.6 21.3 453 457 A K - 0 0 107 -2,-0.4 3,-0.1 -4,-0.1 -68,-0.0 -0.914 24.3-127.5-103.6 128.7 15.0 -15.8 20.1 454 458 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 -66,-0.1 -0.080 30.4 -97.0 -61.1 171.4 11.6 -15.2 21.5 455 459 A N - 0 0 114 -68,-0.2 2,-0.4 -67,-0.1 -64,-0.0 -0.791 42.8-163.9 -92.5 139.6 9.5 -18.0 23.0 456 460 A Y - 0 0 30 -2,-0.4 2,-0.1 -3,-0.1 -120,-0.0 -0.979 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590 A E H < S+ 0 0 123 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 120.8 36.6 -62.1 -39.5 11.5 -12.8 -24.1 587 591 A H H >< S+ 0 0 63 -4,-2.0 3,-1.6 -5,-0.1 4,-0.3 0.674 90.1 94.1 -91.9 -21.5 9.4 -11.3 -21.3 588 592 A K G >< S+ 0 0 73 -4,-2.6 3,-1.7 1,-0.3 -1,-0.1 0.829 82.6 52.2 -35.4 -57.6 11.7 -8.5 -20.2 589 593 A A G 3 S+ 0 0 98 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.752 115.1 41.5 -58.5 -29.2 10.0 -5.7 -22.4 590 594 A S G < S+ 0 0 57 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.205 98.5 100.2-105.9 13.7 6.5 -6.5 -21.1 591 595 A M S < S- 0 0 32 -3,-1.7 -36,-0.0 -4,-0.3 -3,-0.0 -0.481 89.1 -82.9 -92.4 165.1 7.6 -6.9 -17.4 592 596 A H > - 0 0 3 -332,-0.2 4,-3.5 -2,-0.2 5,-0.3 -0.519 43.7-123.0 -64.4 134.9 7.3 -4.4 -14.6 593 597 A P H > S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.824 110.6 40.2 -52.7 -39.7 10.3 -2.1 -14.8 594 598 A V H > S+ 0 0 8 -485,-0.3 4,-2.9 2,-0.2 5,-0.2 0.902 115.6 51.6 -76.9 -42.7 11.6 -2.8 -11.3 595 599 A T H > S+ 0 0 4 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.944 110.7 48.8 -55.9 -50.4 10.8 -6.5 -11.6 596 600 A A H X S+ 0 0 10 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.887 112.1 50.2 -56.0 -42.2 12.7 -6.6 -14.9 597 601 A M H X S+ 0 0 60 -4,-1.5 4,-1.9 -5,-0.3 -2,-0.2 0.948 114.1 42.0 -62.9 -49.1 15.6 -4.9 -13.2 598 602 A L H X S+ 0 0 2 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.883 113.7 50.3 -73.5 -37.1 15.8 -7.1 -10.2 599 603 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.951 109.9 52.7 -65.3 -47.0 15.3 -10.4 -12.1 600 604 A G H <>S+ 0 0 2 -4,-2.1 5,-2.9 -5,-0.3 4,-0.5 0.885 111.0 45.8 -49.8 -47.6 18.1 -9.4 -14.5 601 605 A K H <5S+ 0 0 128 -4,-1.9 3,-0.4 3,-0.2 -1,-0.2 0.873 111.7 52.5 -62.2 -41.6 20.5 -8.7 -11.6 602 606 A D H <5S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 116.7 39.0 -61.5 -40.1 19.5 -12.1 -10.0 603 607 A L T <5S- 0 0 17 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.438 109.1-124.3 -88.9 -3.8 20.2 -13.9 -13.3 604 608 A K T 5 + 0 0 197 -4,-0.5 2,-0.3 -3,-0.4 -3,-0.2 0.913 56.2 159.5 55.5 44.7 23.3 -11.8 -14.0 605 609 A V < 0 0 28 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.799 360.0 360.0-105.4 144.4 21.8 -10.9 -17.4 606 610 A D 0 0 182 -2,-0.3 -5,-0.0 -5,-0.0 -6,-0.0 -0.702 360.0 360.0 83.9 360.0 22.7 -7.9 -19.7