==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-SEP-07 2R59 . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.THOLANDER,J.Z.HAEGGSTROM,M.THUNNISSEN,A.MUROYA,B.P.ROQUES, . 610 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 71.8 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 . 93 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 . 4 0.7 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 . 40 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 1 0 1 0 2 3 3 2 1 1 0 1 0 0 1 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 1 2 1 0 2 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 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 1 A P 0 0 173 0, 0.0 2,-1.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.1 18.9 -15.3 15.3 2 2 A E + 0 0 170 2,-0.0 2,-0.6 1,-0.0 0, 0.0 -0.543 360.0 158.6 -78.1 82.3 17.4 -15.6 11.8 3 3 A I + 0 0 54 -2,-1.7 2,-0.3 2,-0.0 -1,-0.0 -0.928 12.9 178.8-109.1 111.9 19.6 -13.2 9.8 4 4 A V - 0 0 73 -2,-0.6 2,-1.2 8,-0.1 3,-0.1 -0.780 35.9-115.1-103.7 156.2 19.7 -13.7 6.1 5 5 A D > - 0 0 18 -2,-0.3 3,-1.9 1,-0.2 305,-0.0 -0.726 27.7-171.8 -89.3 99.7 21.6 -11.7 3.6 6 6 A T T 3 S+ 0 0 37 -2,-1.2 365,-0.4 1,-0.3 -1,-0.2 0.660 81.4 60.3 -73.9 -6.7 18.7 -10.2 1.5 7 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.509 96.8 72.9 -94.2 -3.3 21.2 -8.8 -1.0 8 8 A S < - 0 0 19 -3,-1.9 141,-0.1 1,-0.1 139,-0.1 -0.893 52.5-170.5-115.3 140.5 22.6 -12.3 -1.9 9 9 A L + 0 0 31 -2,-0.4 -1,-0.1 73,-0.2 -3,-0.1 0.295 61.5 106.2-102.4 3.5 20.8 -15.0 -4.0 10 10 A A S S- 0 0 12 1,-0.2 44,-0.2 75,-0.1 -2,-0.1 -0.294 88.6 -80.6 -75.2 162.4 23.6 -17.5 -3.0 11 11 A S - 0 0 11 42,-2.9 -1,-0.2 1,-0.1 44,-0.1 -0.400 58.8-114.8 -53.5 134.1 23.3 -20.4 -0.5 12 12 A P >> - 0 0 52 0, 0.0 3,-2.2 0, 0.0 4,-1.9 -0.337 22.7-102.0 -75.2 166.6 23.8 -18.8 2.9 13 13 A A T 34 S+ 0 0 27 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.691 121.0 64.0 -61.3 -18.7 26.7 -19.5 5.3 14 14 A S T 34 S+ 0 0 85 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.670 109.4 39.3 -81.0 -15.0 24.4 -21.9 7.3 15 15 A V T <4 S- 0 0 25 -3,-2.2 30,-3.1 1,-0.4 31,-0.6 0.825 133.8 -20.8 -96.0 -48.1 24.2 -24.1 4.2 16 16 A C E < -A 44 0A 1 -4,-1.9 2,-0.4 28,-0.3 -1,-0.4 -0.971 57.5-146.6-164.8 151.5 27.8 -24.0 2.8 17 17 A R E -A 43 0A 86 26,-2.4 26,-2.8 -2,-0.3 2,-0.4 -0.988 15.9-129.0-133.7 128.2 30.8 -21.8 3.2 18 18 A T E +A 42 0A 4 -2,-0.4 24,-0.3 24,-0.2 135,-0.2 -0.594 24.4 177.9 -68.3 130.1 33.5 -20.9 0.7 19 19 A K E + 0 0 70 22,-3.4 136,-2.2 -2,-0.4 2,-0.3 0.690 62.8 5.7-101.5 -31.7 36.9 -21.4 2.3 20 20 A H E -Ab 41 155A 46 21,-1.3 21,-3.0 134,-0.3 2,-0.4 -0.996 53.4-153.9-157.2 149.3 39.2 -20.5 -0.6 21 21 A L E -Ab 40 156A 2 134,-1.6 136,-2.4 -2,-0.3 2,-0.6 -0.997 2.3-166.6-126.2 130.9 39.2 -19.2 -4.1 22 22 A H E -Ab 39 157A 61 17,-2.5 17,-2.7 -2,-0.4 2,-0.5 -0.975 16.6-166.5-114.6 113.5 41.9 -19.9 -6.7 23 23 A L E +Ab 38 158A 6 134,-2.5 136,-1.9 -2,-0.6 2,-0.4 -0.877 13.6 178.0-105.4 123.3 41.3 -17.5 -9.6 24 24 A R E +Ab 37 159A 131 13,-2.9 13,-2.5 -2,-0.5 2,-0.3 -0.971 24.2 151.3-122.7 113.6 43.1 -18.0 -12.9 25 25 A C E -Ab 36 160A 10 134,-2.4 136,-2.6 -2,-0.4 2,-0.4 -0.903 37.4-143.0-143.9 164.7 42.1 -15.3 -15.4 26 26 A S E -Ab 35 161A 39 9,-1.9 9,-2.5 -2,-0.3 2,-0.6 -0.993 20.4-135.6-129.9 135.9 43.3 -13.4 -18.5 27 27 A V E -A 34 0A 0 134,-2.7 2,-0.8 -2,-0.4 7,-0.2 -0.847 16.9-164.2 -96.5 119.2 42.4 -9.7 -19.0 28 28 A D E >> +A 33 0A 36 5,-3.1 4,-1.7 -2,-0.6 5,-1.7 -0.848 11.0 179.7-110.2 100.9 41.4 -9.1 -22.6 29 29 A F T 45S+ 0 0 34 -2,-0.8 -1,-0.2 2,-0.2 101,-0.1 0.801 80.1 58.2 -74.3 -27.4 41.5 -5.4 -23.4 30 30 A T T 45S+ 0 0 132 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.930 120.9 28.7 -68.3 -37.7 40.3 -5.8 -27.0 31 31 A R T 45S- 0 0 116 2,-0.2 -2,-0.2 79,-0.0 -1,-0.2 0.640 101.5-128.5 -93.9 -16.1 37.1 -7.5 -25.9 32 32 A R T <5 + 0 0 90 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.948 66.1 127.8 65.9 46.7 36.8 -5.8 -22.4 33 33 A T E < -A 28 0A 4 -5,-1.7 -5,-3.1 77,-0.1 2,-0.5 -0.975 56.8-144.4-134.3 147.3 36.5 -9.2 -20.8 34 34 A L E -A 27 0A 2 -2,-0.3 74,-2.4 -7,-0.2 2,-0.4 -0.964 30.8-171.0-102.5 130.5 38.0 -11.1 -18.0 35 35 A T E +AC 26 107A 51 -9,-2.5 -9,-1.9 -2,-0.5 2,-0.3 -0.984 28.1 59.8-125.1 131.6 38.2 -14.8 -18.9 36 36 A G E -AC 25 106A 18 70,-2.6 70,-2.9 -2,-0.4 2,-0.4 -0.993 69.7 -40.3 166.1-140.9 39.1 -17.9 -16.9 37 37 A T E -AC 24 105A 28 -13,-2.5 -13,-2.9 -2,-0.3 2,-0.5 -0.930 23.0-163.6-127.8 140.8 38.4 -20.1 -13.9 38 38 A A E -AC 23 104A 0 66,-2.0 66,-2.6 -2,-0.4 2,-0.7 -0.994 13.0-163.2-116.0 115.7 37.4 -19.6 -10.3 39 39 A A E -AC 22 103A 17 -17,-2.7 -17,-2.5 -2,-0.5 2,-0.6 -0.919 9.3-161.7-103.0 112.7 38.0 -22.7 -8.3 40 40 A L E -AC 21 102A 2 62,-2.9 62,-2.5 -2,-0.7 2,-0.7 -0.853 12.5-149.0 -96.1 124.2 36.0 -22.4 -5.0 41 41 A T E -AC 20 101A 33 -21,-3.0 -22,-3.4 -2,-0.6 -21,-1.3 -0.843 29.1-172.4 -85.2 117.9 36.9 -24.6 -2.1 42 42 A V E -AC 18 100A 1 58,-2.7 58,-2.3 -2,-0.7 2,-0.5 -0.937 17.9-154.7-121.8 133.2 33.5 -25.1 -0.4 43 43 A Q E -AC 17 99A 22 -26,-2.8 -26,-2.4 -2,-0.4 56,-0.2 -0.932 20.2-130.5-105.3 122.9 32.6 -26.7 3.0 44 44 A S E -A 16 0A 0 54,-2.7 53,-2.6 -2,-0.5 -28,-0.3 -0.459 15.8-169.6 -65.6 141.9 29.1 -28.1 3.5 45 45 A Q + 0 0 30 -30,-3.1 2,-0.3 51,-0.2 -29,-0.2 0.316 68.1 60.4-111.4 6.8 27.5 -27.0 6.7 46 46 A E S > S- 0 0 75 -31,-0.6 3,-0.6 49,-0.2 2,-0.1 -0.940 85.4-104.7-129.9 149.8 24.6 -29.5 6.3 47 47 A D T 3 S+ 0 0 120 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.469 99.8 8.7 -64.4 143.2 24.0 -33.2 6.0 48 48 A N T 3 S- 0 0 83 46,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.852 80.6-177.5 54.6 45.9 23.3 -34.7 2.6 49 49 A L E < +H 94 0B 9 45,-2.2 45,-2.1 -3,-0.6 -1,-0.2 -0.619 13.5 165.6 -79.4 126.0 23.9 -31.5 0.6 50 50 A R E + 0 0 152 -2,-0.4 40,-2.0 1,-0.2 2,-0.3 0.431 57.0 21.7-125.9 -5.6 23.2 -32.0 -3.1 51 51 A S E -H 89 0B 48 38,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.992 55.3-167.2-154.0 159.4 23.1 -28.5 -4.6 52 52 A L E -H 88 0B 2 36,-2.2 36,-3.6 -2,-0.3 2,-0.4 -0.993 14.4-134.5-147.3 163.0 24.3 -25.1 -4.0 53 53 A V E -H 87 0B 28 -2,-0.3 -42,-2.9 34,-0.2 2,-0.3 -0.931 15.2-168.2-122.4 134.5 23.6 -21.6 -5.3 54 54 A L E -H 86 0B 2 32,-2.1 32,-2.7 -2,-0.4 2,-0.3 -0.865 25.5-114.8-116.9 153.1 26.1 -18.9 -6.3 55 55 A D E +HI 85 146B 0 91,-3.0 91,-1.7 -2,-0.3 2,-0.3 -0.689 39.6 167.9 -82.5 137.3 25.6 -15.2 -7.1 56 56 A T E -H 84 0B 3 28,-0.9 28,-1.6 -2,-0.3 2,-0.3 -0.965 17.1-167.6-140.5 156.1 26.4 -14.1 -10.7 57 57 A K S S- 0 0 18 84,-1.8 52,-0.3 -2,-0.3 56,-0.1 -0.858 76.0 -22.9-147.4 112.0 25.7 -10.9 -12.6 58 58 A D S S+ 0 0 42 -2,-0.3 51,-0.5 1,-0.2 2,-0.4 0.838 94.3 146.7 59.7 35.6 26.1 -10.7 -16.4 59 59 A L E -D 108 0A 14 49,-0.2 2,-0.6 25,-0.1 -1,-0.2 -0.858 45.9-138.8-101.9 143.6 28.6 -13.6 -16.4 60 60 A T E -D 107 0A 83 47,-2.9 47,-1.6 -2,-0.4 2,-0.6 -0.892 17.9-154.6 -96.5 118.1 28.9 -16.1 -19.2 61 61 A I E +D 106 0A 15 -2,-0.6 45,-0.3 45,-0.2 3,-0.1 -0.843 18.5 176.1 -96.8 117.0 29.4 -19.6 -17.7 62 62 A E E - 0 0 144 43,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.878 64.0 -32.7 -78.0 -44.7 31.2 -22.1 -20.1 63 63 A K E -D 105 0A 65 42,-1.1 42,-3.1 2,-0.0 2,-0.4 -0.988 42.4-134.4-172.2 161.7 31.3 -25.0 -17.6 64 64 A V E -D 104 0A 1 7,-0.4 7,-2.2 -2,-0.3 2,-0.4 -0.991 22.9-167.5-133.2 123.2 31.5 -26.3 -14.1 65 65 A V E +DE 103 70A 18 38,-3.0 38,-3.0 -2,-0.4 2,-0.4 -0.942 11.1 173.2-119.5 130.8 33.8 -29.1 -13.2 66 66 A I E > S- E 0 69A 4 3,-2.2 3,-2.0 -2,-0.4 36,-0.1 -0.994 77.9 -2.1-132.7 133.4 33.9 -31.2 -9.9 67 67 A N T 3 S- 0 0 111 34,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.874 132.0 -58.1 52.4 40.7 36.2 -34.3 -9.5 68 68 A G T 3 S+ 0 0 63 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.472 117.4 99.1 73.0 6.7 37.3 -33.8 -13.1 69 69 A Q E < S-E 66 0A 140 -3,-2.0 -3,-2.2 0, 0.0 2,-0.2 -0.925 76.2-108.2-126.1 152.1 33.8 -34.0 -14.7 70 70 A E E -E 65 0A 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.524 37.9-162.4 -77.0 141.9 31.3 -31.5 -16.0 71 71 A V - 0 0 20 -7,-2.2 -7,-0.4 -2,-0.2 2,-0.2 -0.821 24.8 -92.5-122.8 158.3 28.2 -31.2 -13.8 72 72 A K + 0 0 167 -2,-0.3 17,-2.5 17,-0.2 2,-0.3 -0.509 46.0 167.0 -69.1 140.6 24.8 -29.7 -14.4 73 73 A Y E -J 88 0B 77 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.949 16.3-157.6-144.6 159.8 24.1 -26.1 -13.4 74 74 A A E -J 87 0B 59 13,-2.0 13,-2.5 -2,-0.3 2,-0.5 -0.996 12.0-139.6-141.2 139.2 21.3 -23.7 -14.3 75 75 A L E -J 86 0B 82 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.885 24.1-145.2 -96.8 129.5 21.1 -19.9 -14.3 76 76 A G - 0 0 36 9,-2.8 2,-0.1 -2,-0.5 3,-0.1 -0.212 36.6 -67.2 -79.9 176.8 17.9 -18.5 -12.9 77 77 A E - 0 0 167 1,-0.1 -1,-0.2 7,-0.1 2,-0.0 -0.407 60.9 -95.7 -67.4 140.0 16.0 -15.4 -14.1 78 78 A R - 0 0 110 6,-0.2 2,-0.5 -2,-0.1 6,-0.2 -0.340 27.8-156.5 -55.2 132.2 17.8 -12.0 -13.5 79 79 A Q > - 0 0 89 4,-3.0 3,-2.0 1,-0.3 4,-0.2 -0.647 42.0-106.5-110.9 76.5 16.6 -10.4 -10.3 80 80 A S G > S+ 0 0 82 -2,-0.5 3,-1.6 1,-0.3 -1,-0.3 -0.102 95.9 0.9 24.3-116.0 17.5 -6.8 -11.3 81 81 A Y G 3 S+ 0 0 31 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.633 127.7 66.6 -70.9 -11.1 20.6 -5.4 -9.5 82 82 A K G < S- 0 0 14 -3,-2.0 -1,-0.3 1,-0.2 -73,-0.2 0.684 96.9-145.8 -80.2 -14.8 21.0 -8.7 -7.6 83 83 A G < - 0 0 0 -3,-1.6 -4,-3.0 -4,-0.2 -26,-0.2 -0.467 33.1 -45.2 85.4-157.7 21.9 -10.6 -10.8 84 84 A S E -H 56 0B 21 -28,-1.6 -28,-0.9 -6,-0.2 -6,-0.2 -0.946 52.0-122.7-118.1 133.6 21.0 -14.2 -11.6 85 85 A P E -H 55 0B 22 0, 0.0 -9,-2.8 0, 0.0 2,-0.6 -0.436 17.6-149.0 -73.0 142.6 21.4 -17.2 -9.2 86 86 A M E -HJ 54 75B 0 -32,-2.7 -32,-2.1 -11,-0.2 2,-0.5 -0.931 9.4-160.6-115.5 103.9 23.5 -20.1 -10.4 87 87 A E E -HJ 53 74B 102 -13,-2.5 -13,-2.0 -2,-0.6 2,-0.5 -0.758 5.9-161.0 -87.8 127.3 22.3 -23.4 -9.0 88 88 A I E -HJ 52 73B 0 -36,-3.6 -36,-2.2 -2,-0.5 2,-0.7 -0.949 10.4-143.2-114.4 124.2 25.0 -26.2 -9.2 89 89 A S E -H 51 0B 54 -17,-2.5 -38,-0.2 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P H >5S+ 0 0 19 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.862 119.3 49.8 -59.6 -33.1 26.0 5.2 8.6 383 383 A Y H >5S+ 0 0 36 -4,-0.5 4,-2.1 3,-0.2 -2,-0.2 0.967 123.7 24.7 -64.3 -55.3 29.3 7.2 8.8 384 384 A E H X5S+ 0 0 19 -4,-3.1 4,-2.6 2,-0.2 -3,-0.2 0.833 124.1 47.8 -93.2 -32.7 28.1 10.2 10.8 385 385 A K H X5S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.4 -1,-0.2 0.869 116.8 47.4 -69.6 -36.6 25.1 8.8 12.7 386 386 A G H XS+ 0 0 5 -4,-2.8 5,-3.0 1,-0.2 4,-0.6 0.922 111.6 43.5 -48.9 -51.0 32.5 7.9 24.7 395 395 A Q H <5S+ 0 0 58 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.833 115.9 48.1 -69.1 -34.6 31.2 10.9 26.6 396 396 A L H <5S+ 0 0 50 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 113.2 47.1 -67.5 -41.9 28.7 8.9 28.6 397 397 A L H <5S- 0 0 2 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.355 128.5 -76.5 -94.6 0.8 31.2 6.2 29.6 398 398 A G T <5S- 0 0 50 -4,-0.6 4,-0.3 -3,-0.3 3,-0.2 0.552 77.2 -65.8 120.6 8.5 34.2 8.3 30.8 399 399 A G >< - 0 0 16 -5,-3.0 4,-2.2 -6,-0.2 5,-0.2 -0.409 66.2 -53.7 111.7 173.7 36.1 9.7 27.9 400 400 A P H > S+ 0 0 42 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.825 124.8 53.1 -61.6 -37.5 38.3 8.7 24.9 401 401 A E H > S+ 0 0 179 -3,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.933 113.0 44.3 -68.3 -45.1 40.9 6.6 26.7 402 402 A I H > S+ 0 0 73 -4,-0.3 4,-1.1 2,-0.2 3,-0.4 0.928 115.9 47.2 -57.6 -46.9 38.2 4.4 28.3 403 403 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.853 106.6 57.0 -72.4 -31.9 36.3 4.1 25.0 404 404 A L H X S+ 0 0 31 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.782 101.3 57.8 -66.7 -25.7 39.4 3.2 23.0 405 405 A G H X S+ 0 0 29 -4,-1.1 4,-1.9 -3,-0.4 -1,-0.2 0.880 106.7 49.2 -70.5 -35.3 40.0 0.3 25.4 406 406 A F H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.916 109.8 51.5 -63.9 -47.0 36.5 -0.9 24.4 407 407 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.892 109.6 48.1 -59.1 -43.3 37.4 -0.5 20.7 408 408 A K H X S+ 0 0 71 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.922 114.9 46.7 -63.7 -42.4 40.7 -2.5 21.0 409 409 A A H X S+ 0 0 23 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.846 109.7 53.9 -66.2 -34.8 38.8 -5.3 22.9 410 410 A Y H X S+ 0 0 3 -4,-2.5 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-9.6 13.1 420 420 A T > - 0 0 14 -2,-0.3 4,-2.1 -112,-0.2 5,-0.2 -0.664 38.8 -99.9-111.2 173.1 25.5 -7.8 13.5 421 421 A T H > S+ 0 0 0 -2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.905 124.1 56.2 -59.3 -35.3 24.4 -4.8 15.5 422 422 A D H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.894 104.8 51.7 -68.4 -35.2 23.1 -7.1 18.2 423 423 A D H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 111.9 48.0 -57.4 -46.9 26.6 -8.7 18.5 424 424 A W H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.955 113.3 46.0 -60.3 -52.6 28.1 -5.3 18.9 425 425 A K H X S+ 0 0 53 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.876 111.0 52.5 -59.7 -41.9 25.6 -4.2 21.5 426 426 A D H X S+ 0 0 109 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.916 113.1 44.6 -59.0 -47.5 25.9 -7.5 23.5 427 427 A F H X S+ 0 0 27 -4,-2.3 4,-3.5 2,-0.2 5,-0.2 0.888 108.3 56.7 -66.1 -39.6 29.6 -7.0 23.6 428 428 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.892 111.6 44.5 -55.5 -40.3 29.3 -3.3 24.5 429 429 A Y H < S+ 0 0 48 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.813 113.8 50.4 -75.0 -32.2 27.1 -4.4 27.5 430 430 A S H >< S+ 0 0 71 -4,-2.0 3,-1.2 -5,-0.2 -2,-0.2 0.962 113.1 45.0 -66.3 -50.5 29.6 -7.2 28.3 431 431 A Y H 3< S+ 0 0 94 -4,-3.5 3,-0.3 1,-0.3 -2,-0.2 0.889 121.9 36.3 -64.4 -41.4 32.6 -4.8 28.2 432 432 A F T >< S+ 0 0 10 -4,-2.1 3,-2.5 -5,-0.2 -1,-0.3 -0.201 72.3 137.8-106.4 42.3 31.0 -2.0 30.3 433 433 A K G X S+ 0 0 137 -3,-1.2 3,-1.1 1,-0.3 -1,-0.2 0.831 70.3 59.0 -63.0 -25.4 29.0 -4.2 32.7 434 434 A D G 3 S+ 0 0 153 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.500 109.8 45.0 -79.0 -0.7 30.0 -1.9 35.6 435 435 A K G <> S+ 0 0 70 -3,-2.5 4,-2.3 -6,-0.2 3,-0.5 0.025 71.2 122.6-125.3 24.3 28.3 0.9 33.7 436 436 A V H <> S+ 0 0 48 -3,-1.1 4,-3.2 1,-0.2 5,-0.1 0.773 72.6 59.7 -57.7 -28.8 25.0 -0.8 32.6 437 437 A D H > S+ 0 0 125 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.928 107.6 45.6 -66.4 -42.5 23.0 1.8 34.4 438 438 A V H >4 S+ 0 0 38 -3,-0.5 3,-1.1 2,-0.2 4,-0.4 0.924 113.6 49.7 -62.2 -47.7 24.6 4.4 32.2 439 439 A L H >< S+ 0 0 0 -4,-2.3 3,-2.7 1,-0.3 -2,-0.2 0.933 103.5 59.2 -59.0 -46.8 24.0 2.2 29.1 440 440 A N H 3< S+ 0 0 101 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.678 93.9 67.0 -59.8 -14.9 20.4 1.7 30.0 441 441 A Q T << S+ 0 0 138 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.712 81.1 100.9 -74.5 -18.5 19.9 5.5 29.8 442 442 A V S < S- 0 0 7 -3,-2.7 2,-1.7 -4,-0.4 3,-0.2 -0.451 78.0-132.2 -70.7 136.8 20.6 5.3 26.0 443 443 A D > + 0 0 89 1,-0.2 4,-2.3 -2,-0.2 3,-0.4 -0.624 33.4 176.8 -85.3 79.0 17.5 5.4 23.8 444 444 A W H > S+ 0 0 26 -2,-1.7 4,-3.2 1,-0.2 5,-0.4 0.884 72.4 52.5 -54.5 -45.3 18.7 2.4 21.8 445 445 A N H >>S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 5,-0.9 0.873 111.7 45.1 -64.4 -38.3 15.6 2.2 19.6 446 446 A A H >5S+ 0 0 16 -3,-0.4 4,-1.5 3,-0.2 -1,-0.2 0.984 117.3 44.9 -63.4 -56.1 15.8 5.8 18.5 447 447 A W H <5S+ 0 0 1 -4,-2.3 -82,-0.3 1,-0.2 -2,-0.2 0.866 125.7 28.9 -57.4 -45.5 19.5 5.6 17.9 448 448 A L H <5S+ 0 0 2 -4,-3.2 -82,-2.8 -5,-0.2 -1,-0.2 0.799 134.9 18.5 -89.2 -33.1 19.5 2.3 16.0 449 449 A Y H <5S+ 0 0 82 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.582 96.9 89.8-124.9 -13.5 16.1 2.1 14.3 450 450 A S << - 0 0 42 -4,-1.5 -85,-0.4 -5,-0.9 -84,-0.1 -0.697 68.2-127.0 -90.1 143.0 14.4 5.6 14.1 451 451 A P + 0 0 43 0, 0.0 -87,-0.1 0, 0.0 -93,-0.1 -0.183 65.2 40.3 -75.4 171.3 14.9 7.9 11.1 452 452 A G S S- 0 0 4 -92,-0.4 -93,-0.1 -95,-0.3 -94,-0.0 -0.225 102.2 -17.8 89.4-174.1 16.1 11.5 11.4 453 453 A L S S- 0 0 82 1,-0.1 4,-0.1 2,-0.1 -90,-0.0 -0.268 84.5 -91.1 -61.3 153.8 18.7 13.3 13.5 454 454 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.282 34.1-111.9 -66.2 159.5 19.8 11.3 16.6 455 455 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.552 100.2 32.1 -74.7 -5.1 17.8 11.9 19.8 456 456 A I S S- 0 0 79 -9,-0.0 -64,-0.1 0, 0.0 0, 0.0 -0.978 71.6-140.8-154.4 129.2 20.8 13.6 21.5 457 457 A K - 0 0 106 -2,-0.3 3,-0.1 1,-0.1 -4,-0.0 -0.835 27.8-127.2 -92.7 126.5 23.7 15.7 20.1 458 458 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 -66,-0.1 -0.057 32.8 -89.7 -56.5 171.1 27.1 15.1 21.7 459 459 A N - 0 0 119 -68,-0.1 2,-0.5 -67,-0.1 -116,-0.0 -0.790 44.6-168.2 -86.4 127.8 29.2 17.8 23.2 460 460 A Y - 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0.943 111.3 44.9 -65.1 -44.1 27.8 19.2 -9.2 571 571 A F H X S+ 0 0 3 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.918 114.3 49.0 -63.8 -39.8 25.6 17.6 -11.8 572 572 A K H X S+ 0 0 110 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.912 112.4 47.1 -65.0 -44.7 22.5 18.0 -9.6 573 573 A D H X S+ 0 0 16 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.918 112.4 50.4 -61.0 -47.1 23.2 21.7 -8.9 574 574 A L H < S+ 0 0 1 -4,-2.5 6,-0.3 1,-0.2 3,-0.3 0.885 110.9 49.3 -59.8 -40.2 23.8 22.3 -12.7 575 575 A A H < S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.803 109.8 51.5 -65.0 -32.9 20.5 20.6 -13.5 576 576 A A H < S+ 0 0 77 -4,-1.6 2,-0.7 -5,-0.1 -1,-0.2 0.606 93.3 82.4 -82.9 -14.8 18.7 22.7 -10.9 577 577 A F S >X S- 0 0 7 -4,-1.0 4,-1.4 -3,-0.3 3,-1.2 -0.837 75.7-147.7 -87.6 114.8 20.1 25.9 -12.3 578 578 A D H 3> S+ 0 0 127 -2,-0.7 4,-0.5 1,-0.3 3,-0.4 0.876 94.8 58.0 -52.6 -40.0 17.8 26.9 -15.3 579 579 A K H 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.759 119.0 28.5 -62.4 -28.0 20.8 28.5 -17.2 580 580 A S H <> S+ 0 0 0 -3,-1.2 4,-3.0 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-4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 120.8 34.9 -68.2 -38.0 28.0 12.7 -24.1 591 591 A H H >< S+ 0 0 68 -4,-2.1 3,-1.8 1,-0.1 4,-0.5 0.680 90.6 95.1 -92.3 -17.3 30.2 11.4 -21.3 592 592 A K G >< S+ 0 0 50 -4,-2.5 3,-1.8 1,-0.3 -1,-0.1 0.820 79.7 54.9 -47.3 -48.3 28.1 8.6 -20.0 593 593 A A G 3 S+ 0 0 96 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.761 112.5 43.1 -60.5 -30.2 29.6 5.8 -22.0 594 594 A S G < S+ 0 0 57 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.351 98.1 97.1 -99.4 9.4 33.1 6.6 -20.8 595 595 A M S < S- 0 0 34 -3,-1.8 -331,-0.0 -4,-0.5 -36,-0.0 -0.370 91.0 -83.0 -85.3 168.8 32.0 7.1 -17.1 596 596 A H > - 0 0 4 -332,-0.2 4,-3.1 1,-0.1 5,-0.3 -0.526 42.6-121.3 -69.0 139.5 32.2 4.5 -14.3 597 597 A P H > S+ 0 0 42 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.867 110.3 44.1 -52.5 -38.9 29.1 2.2 -14.5 598 598 A V H > S+ 0 0 9 -485,-0.3 4,-2.4 2,-0.2 5,-0.2 0.954 114.2 48.3 -76.1 -43.1 27.9 3.0 -11.1 599 599 A T H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.911 111.1 52.0 -59.0 -45.0 28.6 6.7 -11.3 600 600 A A H X S+ 0 0 12 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.903 110.1 49.6 -57.5 -41.9 26.7 6.8 -14.7 601 601 A M H X S+ 0 0 67 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.961 114.7 42.1 -65.8 -51.9 23.7 5.0 -13.2 602 602 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.861 114.2 49.0 -64.7 -39.9 23.4 7.3 -10.2 603 603 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.955 111.3 53.4 -66.9 -45.9 24.0 10.6 -12.1 604 604 A G H X>S+ 0 0 2 -4,-2.2 5,-2.4 -5,-0.3 4,-0.8 0.905 110.7 44.8 -47.1 -53.4 21.4 9.4 -14.6 605 605 A K H ><5S+ 0 0 125 -4,-2.4 3,-0.9 3,-0.2 -1,-0.2 0.932 110.9 54.9 -56.7 -48.8 18.9 8.8 -11.8 606 606 A D H 3<5S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.845 114.8 39.0 -53.4 -38.8 19.8 12.1 -10.2 607 607 A L H 3<5S- 0 0 14 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.544 109.5-122.4 -89.8 -7.8 19.1 14.0 -13.5 608 608 A K T <<5 + 0 0 197 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.949 62.8 143.8 59.5 51.6 16.0 11.8 -14.4 609 609 A V < 0 0 33 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.854 360.0 360.0-127.8 168.3 17.5 10.7 -17.7 610 610 A D 0 0 163 -2,-0.3 -21,-0.0 -5,-0.0 0, 0.0 -0.545 360.0 360.0 55.0 360.0 17.5 7.6 -19.8