==== 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 SIGNALING PROTEIN/RHOA-BINDING PROTEIN 24-FEB-10 3LWN . COMPND 2 MOLECULE: TRANSFORMING PROTEIN RHOA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.U.KLINK,S.BARDEN,T.V.HEIDLER,C.BORCHERS,M.LADWEIN,T.E.B.ST . 724 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.6 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 . 53 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 0 0 0 2 2 4 4 2 0 4 0 3 1 0 0 0 0 0 0 2 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 3 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 . 0 0 0 0 0 2 2 1 1 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 2 0 0 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 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 S 0 0 179 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -25.1 -11.1 36.7 12.6 2 2 A A - 0 0 93 1,-0.1 3,-0.0 3,-0.0 2,-0.0 -0.377 360.0-111.6 -62.1 129.0 -9.6 34.0 14.8 3 3 A A - 0 0 51 -2,-0.1 2,-0.6 1,-0.1 -1,-0.1 -0.324 27.4-119.4 -53.1 137.6 -7.4 31.5 12.9 4 4 A I E -a 53 0A 64 48,-0.6 50,-2.7 -3,-0.1 2,-0.4 -0.767 36.5-166.2 -82.2 127.9 -8.8 28.0 12.6 5 5 A R E +a 54 0A 113 -2,-0.6 2,-0.4 48,-0.2 50,-0.2 -0.963 10.8 179.8-127.5 132.4 -6.3 25.8 14.3 6 6 A K E -a 55 0A 44 48,-2.1 50,-3.2 -2,-0.4 2,-0.5 -0.989 20.1-140.5-136.9 134.5 -6.2 22.0 14.1 7 7 A K E -a 56 0A 21 -2,-0.4 71,-2.7 69,-0.3 72,-1.2 -0.841 17.8-170.4 -94.1 131.4 -3.8 19.5 15.6 8 8 A L E -ab 57 79A 0 48,-2.7 50,-2.9 -2,-0.5 2,-0.4 -0.997 0.9-168.5-122.8 128.2 -2.9 16.6 13.4 9 9 A V E -ab 58 80A 0 70,-1.9 72,-2.6 -2,-0.4 2,-0.5 -0.977 9.9-149.7-119.9 132.5 -1.0 13.6 14.9 10 10 A I E -ab 59 81A 0 48,-2.0 50,-0.5 -2,-0.4 2,-0.3 -0.930 21.8-179.0-107.5 134.4 0.5 11.0 12.7 11 11 A V E + b 0 82A 0 70,-2.9 72,-3.3 -2,-0.5 2,-0.2 -0.833 19.5 92.5-136.2 153.4 0.7 7.5 14.1 12 12 A G E - b 0 83A 0 -2,-0.3 72,-0.1 70,-0.2 4,-0.1 -0.696 66.7 -29.7 138.6 171.5 2.0 4.1 13.0 13 13 A D S > S- 0 0 24 70,-0.5 3,-1.6 78,-0.3 5,-0.3 0.009 71.0 -87.8 -55.9 153.8 4.9 1.7 13.1 14 14 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.1 2,-0.1 77,-0.0 -0.313 111.2 12.5 -60.6 138.6 8.5 2.8 13.2 15 15 A A T 3 S+ 0 0 89 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.639 85.6 123.9 70.1 16.2 10.1 3.4 9.9 16 16 A C S < S- 0 0 3 -3,-1.6 101,-0.2 -4,-0.1 70,-0.1 0.330 90.4 -93.7 -92.0 6.4 6.8 3.3 8.1 17 17 A G S > S+ 0 0 13 -4,-0.1 4,-1.8 100,-0.1 101,-0.1 0.612 83.4 130.6 103.8 15.9 7.4 6.8 6.6 18 18 A K H > S+ 0 0 5 -5,-0.3 4,-2.4 2,-0.2 5,-0.2 0.958 76.7 43.3 -63.9 -56.8 5.7 9.1 9.0 19 19 A T H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.955 115.2 49.1 -59.6 -53.3 8.6 11.6 9.5 20 20 A C H > S+ 0 0 21 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.860 109.9 52.7 -52.2 -37.3 9.4 11.7 5.8 21 21 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.941 110.0 47.5 -70.2 -43.1 5.8 12.3 4.9 22 22 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.846 113.4 49.5 -57.9 -41.3 5.6 15.2 7.4 23 23 A I H X>S+ 0 0 4 -4,-2.3 4,-3.0 -5,-0.2 6,-0.6 0.945 111.4 47.3 -68.2 -46.5 8.9 16.6 5.9 24 24 A V H X5S+ 0 0 3 -4,-3.1 4,-2.5 3,-0.2 -2,-0.2 0.968 116.8 44.6 -58.6 -51.3 7.7 16.3 2.3 25 25 A F H <5S+ 0 0 38 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.966 121.5 36.8 -58.7 -52.4 4.4 17.9 3.2 26 26 A S H <5S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 133.5 24.6 -67.9 -37.9 5.9 20.7 5.3 27 27 A K H <5S- 0 0 129 -4,-3.0 -3,-0.2 -5,-0.3 -1,-0.2 0.530 93.6-131.9-113.1 -10.0 9.1 21.4 3.3 28 28 A D S < S-C 51 0A 2 3,-1.8 3,-1.8 -2,-0.4 -2,-0.0 -0.983 71.2 -8.5-141.1 127.8 -9.5 23.6 1.6 49 49 A D T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.876 129.4 -51.7 55.8 44.4 -13.0 24.5 0.5 50 50 A G T 3 S+ 0 0 66 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.397 112.4 122.0 76.6 -1.3 -12.5 28.2 1.2 51 51 A K E < - C 0 48A 106 -3,-1.8 -3,-1.8 2,-0.0 2,-0.5 -0.841 53.1-150.0-102.6 116.1 -11.3 27.5 4.7 52 52 A Q E - C 0 47A 133 -2,-0.6 -48,-0.6 -5,-0.2 2,-0.4 -0.735 23.0-173.0 -81.0 125.4 -7.9 28.7 5.8 53 53 A V E -aC 4 46A 1 -7,-3.1 -7,-1.9 -2,-0.5 2,-0.8 -0.902 27.8-144.8-122.8 144.6 -6.5 26.3 8.4 54 54 A E E -aC 5 45A 41 -50,-2.7 -48,-2.1 -2,-0.4 2,-0.7 -0.919 29.5-163.9-106.3 99.7 -3.4 26.4 10.6 55 55 A L E -aC 6 44A 0 -11,-2.7 -11,-2.7 -2,-0.8 2,-0.5 -0.788 5.8-153.2 -99.6 113.0 -2.6 22.8 10.6 56 56 A A E -aC 7 43A 19 -50,-3.2 -48,-2.7 -2,-0.7 2,-0.7 -0.730 7.9-146.5 -91.4 122.5 -0.2 21.7 13.3 57 57 A L E -aC 8 42A 0 -15,-3.2 -15,-0.9 -2,-0.5 2,-0.7 -0.781 13.5-171.0 -96.6 110.1 1.9 18.6 12.5 58 58 A W E -a 9 0A 8 -50,-2.9 -48,-2.0 -2,-0.7 2,-0.3 -0.893 8.2-155.6-106.3 113.8 2.7 16.4 15.5 59 59 A D E -a 10 0A 0 -2,-0.7 -48,-0.1 -20,-0.3 -18,-0.1 -0.639 12.6-172.3 -82.8 147.4 5.2 13.6 14.8 60 60 A T > + 0 0 4 -50,-0.5 3,-1.7 -2,-0.3 413,-0.2 0.387 36.4 138.1-119.5 -3.8 5.1 10.5 17.1 61 61 A A T 3 + 0 0 12 1,-0.2 412,-1.9 2,-0.1 411,-0.4 -0.090 65.1 31.7 -37.5 134.4 8.3 8.8 15.7 62 62 A G T 3 S+ 0 0 6 410,-0.2 -1,-0.2 409,-0.2 3,-0.2 0.275 104.4 77.0 94.7 -14.8 10.5 7.3 18.4 63 63 A Q X + 0 0 0 -3,-1.7 3,-2.6 1,-0.1 7,-0.3 0.355 53.3 107.4-111.7 3.0 7.6 6.4 20.7 64 64 A E T 3 S+ 0 0 20 1,-0.3 -1,-0.1 -4,-0.2 3,-0.1 0.801 91.2 37.7 -59.8 -23.4 6.3 3.4 19.0 65 65 A D T 3 S+ 0 0 119 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.187 99.4 84.4-104.7 17.8 7.8 1.3 21.9 66 66 A Y X> + 0 0 20 -3,-2.6 3,-1.9 1,-0.1 4,-1.5 -0.596 48.7 172.3-120.7 70.7 6.9 3.7 24.6 67 67 A D T 34 S+ 0 0 106 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.676 78.3 55.0 -46.4 -26.4 3.4 2.9 25.5 68 68 A R T 34 S+ 0 0 106 1,-0.1 -1,-0.3 -3,-0.1 4,-0.2 0.809 109.8 46.8 -79.8 -25.7 3.5 5.3 28.5 69 69 A L T X4 S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.2 4,-0.2 0.827 95.2 71.0 -86.7 -33.9 4.6 8.2 26.4 70 70 A R G >< S+ 0 0 6 -4,-1.5 3,-1.7 1,-0.3 4,-0.4 0.783 89.1 58.9 -61.7 -37.0 2.2 8.1 23.5 71 71 A P G > S+ 0 0 7 0, 0.0 3,-0.9 0, 0.0 -1,-0.3 0.740 93.6 68.4 -65.9 -21.0 -1.0 9.2 25.2 72 72 A L G < S+ 0 0 7 -3,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.600 99.4 51.7 -73.4 -9.0 0.6 12.5 26.2 73 73 A S G < S+ 0 0 1 -3,-1.7 -1,-0.3 -4,-0.2 -3,-0.1 0.581 98.7 68.2 -96.6 -16.0 0.6 13.3 22.5 74 74 A Y X + 0 0 4 -3,-0.9 3,-1.4 -4,-0.4 -2,-0.2 0.821 64.2 110.3 -81.8 -31.5 -3.1 12.6 21.9 75 75 A P T 3 S+ 0 0 60 0, 0.0 32,-0.1 0, 0.0 31,-0.0 -0.078 89.0 5.9 -61.7 147.5 -5.1 15.2 23.8 76 76 A D T 3 S+ 0 0 145 1,-0.2 -69,-0.3 2,-0.0 2,-0.1 0.677 86.7 159.7 60.5 26.6 -7.0 17.8 21.8 77 77 A T < - 0 0 10 -3,-1.4 -1,-0.2 1,-0.1 -69,-0.2 -0.483 25.5-168.9 -73.5 146.8 -6.1 16.1 18.4 78 78 A D + 0 0 51 -71,-2.7 2,-0.3 1,-0.4 -70,-0.2 0.646 69.6 13.6-111.1 -23.5 -8.4 17.0 15.5 79 79 A V E -b 8 0A 0 -72,-1.2 -70,-1.9 31,-0.2 2,-0.5 -0.958 63.6-148.3-157.4 136.2 -7.3 14.5 12.9 80 80 A I E -bd 9 112A 0 31,-2.8 33,-3.4 -2,-0.3 2,-0.6 -0.881 2.4-159.0-105.4 130.7 -5.3 11.3 13.0 81 81 A L E -bd 10 113A 0 -72,-2.6 -70,-2.9 -2,-0.5 2,-0.6 -0.968 14.8-165.2-104.4 123.1 -3.2 10.2 10.2 82 82 A M E -bd 11 114A 0 31,-3.8 33,-2.9 -2,-0.6 2,-0.3 -0.930 11.2-165.4-115.4 116.8 -2.7 6.5 10.7 83 83 A C E +bd 12 115A 0 -72,-3.3 -70,-0.5 -2,-0.6 2,-0.3 -0.730 22.3 167.8-113.1 144.3 0.1 5.0 8.6 84 84 A F E - d 0 116A 0 31,-2.1 33,-2.5 -2,-0.3 2,-0.5 -0.887 39.1-110.3-131.6 169.3 1.3 1.8 7.5 85 85 A S E > - d 0 117A 1 3,-0.4 3,-2.0 -2,-0.3 7,-0.3 -0.894 9.2-145.8-104.3 130.4 3.9 1.1 4.8 86 86 A I T 3 S+ 0 0 0 31,-2.1 53,-3.5 -2,-0.5 32,-0.1 0.763 105.0 57.6 -59.5 -25.1 2.7 -0.6 1.6 87 87 A D T 3 S+ 0 0 40 30,-0.3 -1,-0.3 51,-0.2 3,-0.1 0.453 105.0 58.0 -86.1 1.2 6.1 -2.3 1.5 88 88 A S X> - 0 0 36 -3,-2.0 4,-1.1 1,-0.1 3,-0.9 -0.759 53.7-179.1-141.6 85.7 5.4 -3.8 4.9 89 89 A P H 3> S+ 0 0 20 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.741 88.0 62.7 -55.2 -22.4 2.3 -6.0 5.4 90 90 A D H 3> S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -2,-0.0 0.884 97.7 54.0 -72.3 -37.2 3.4 -6.3 9.1 91 91 A S H <4 S+ 0 0 2 -3,-0.9 -78,-0.3 1,-0.2 -1,-0.2 0.788 108.7 50.3 -66.5 -28.2 2.9 -2.6 9.6 92 92 A L H >< S+ 0 0 10 -4,-1.1 3,-1.4 -7,-0.3 -1,-0.2 0.822 102.0 59.3 -78.8 -32.4 -0.6 -2.9 8.3 93 93 A E H 3X S+ 0 0 133 -4,-1.5 4,-1.2 1,-0.3 -2,-0.2 0.875 99.4 60.7 -60.1 -30.3 -1.3 -5.7 10.6 94 94 A N H 3X>S+ 0 0 51 -4,-1.4 4,-2.3 1,-0.2 5,-2.3 0.628 87.9 76.0 -72.8 -11.3 -0.5 -3.3 13.4 95 95 A I H <4>S+ 0 0 0 -3,-1.4 5,-2.1 3,-0.2 -1,-0.2 0.929 107.8 25.6 -65.6 -52.1 -3.4 -1.0 12.3 96 96 A P H 45S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.792 127.0 50.7 -79.0 -22.6 -6.2 -3.1 13.7 97 97 A E H <5S- 0 0 152 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.803 131.8 -5.0 -88.8 -34.7 -4.1 -4.7 16.3 98 98 A K T X5S+ 0 0 53 -4,-2.3 4,-1.9 -5,-0.1 -3,-0.2 0.695 125.7 48.8-124.0 -56.8 -2.4 -1.7 18.0 99 99 A W H > S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 -2,-0.2 0.953 115.4 46.4 -53.5 -53.7 -7.6 0.6 19.6 102 102 A E H X S+ 0 0 28 -4,-1.9 4,-2.7 1,-0.2 3,-0.4 0.932 115.3 46.2 -47.6 -55.8 -5.1 3.0 21.1 103 103 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.814 112.5 48.7 -65.3 -34.4 -6.4 6.0 19.0 104 104 A K H < S+ 0 0 103 -4,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.731 113.4 50.0 -79.5 -21.7 -10.0 5.3 19.5 105 105 A H H < S+ 0 0 132 -4,-1.6 -2,-0.2 -3,-0.4 -3,-0.2 0.973 124.3 25.9 -71.6 -62.9 -9.3 5.1 23.2 106 106 A F H < S+ 0 0 55 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.779 130.7 41.7 -74.9 -30.5 -7.3 8.3 23.6 107 107 A C S >< S- 0 0 5 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 -0.478 74.9-177.3-120.5 65.1 -9.0 10.1 20.6 108 108 A P T 3 S+ 0 0 90 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.333 73.9 5.6 -58.6 133.1 -12.7 9.4 20.6 109 109 A N T 3 S+ 0 0 168 1,-0.2 -5,-0.1 -5,-0.1 -2,-0.0 0.588 93.4 135.5 73.7 11.2 -14.6 10.9 17.7 110 110 A V < - 0 0 26 -3,-1.6 -1,-0.2 -7,-0.2 -31,-0.2 -0.854 61.2-113.0 -98.8 123.2 -11.5 12.1 16.1 111 111 A P - 0 0 28 0, 0.0 -31,-2.8 0, 0.0 2,-0.5 -0.283 28.0-147.9 -55.9 132.8 -11.4 11.4 12.3 112 112 A I E -d 80 0A 7 40,-0.3 42,-2.7 -33,-0.2 43,-0.9 -0.940 7.4-161.2-113.2 122.2 -8.8 8.8 11.2 113 113 A I E -de 81 155A 0 -33,-3.4 -31,-3.8 -2,-0.5 2,-0.6 -0.944 14.9-146.7 -98.8 121.6 -7.1 9.0 7.8 114 114 A L E -de 82 156A 0 41,-2.0 43,-2.4 -2,-0.6 2,-0.5 -0.837 19.7-164.1 -93.8 124.1 -5.6 5.7 6.9 115 115 A V E -de 83 157A 0 -33,-2.9 -31,-2.1 -2,-0.6 2,-0.7 -0.944 17.9-156.6-122.4 120.8 -2.5 6.3 5.0 116 116 A G E -de 84 158A 0 41,-2.8 43,-3.3 -2,-0.5 3,-0.3 -0.877 25.7-164.7 -94.6 112.2 -0.5 3.9 2.9 117 117 A N E +d 85 0A 3 -33,-2.5 -31,-2.1 -2,-0.7 -30,-0.3 -0.415 59.2 33.2 -93.0 167.8 3.0 5.2 2.6 118 118 A K > + 0 0 58 -33,-0.2 3,-1.7 -32,-0.1 4,-0.3 0.869 60.2 162.4 55.3 44.2 5.9 4.4 0.3 119 119 A K G > + 0 0 59 40,-1.8 3,-1.7 -3,-0.3 4,-0.3 0.815 66.0 72.2 -63.1 -28.2 3.5 3.6 -2.7 120 120 A D G 3 S+ 0 0 52 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.690 92.6 57.2 -53.8 -22.2 6.6 4.0 -5.0 121 121 A L G X S+ 0 0 34 -3,-1.7 3,-2.0 1,-0.2 -1,-0.3 0.637 77.3 92.4 -92.0 -11.6 7.8 0.7 -3.6 122 122 A R T < S+ 0 0 28 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.823 103.0 24.9 -53.7 -45.1 4.8 -1.4 -4.5 123 123 A N T 3 S+ 0 0 135 -4,-0.3 2,-0.4 -3,-0.3 -1,-0.3 0.108 92.7 132.9-101.7 18.5 6.2 -2.5 -7.9 124 124 A D <> - 0 0 59 -3,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.595 52.7-144.5 -75.4 122.7 9.9 -2.0 -6.7 125 125 A E H > S+ 0 0 142 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.939 98.9 44.8 -49.2 -64.0 12.0 -5.1 -7.7 126 126 A H H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.854 113.1 53.7 -50.2 -43.2 14.2 -5.1 -4.6 127 127 A T H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.951 110.3 46.0 -56.3 -51.8 11.1 -4.5 -2.4 128 128 A R H X S+ 0 0 103 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.894 112.0 50.0 -57.2 -49.0 9.4 -7.6 -4.0 129 129 A R H X S+ 0 0 157 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.889 111.7 50.4 -57.0 -43.3 12.4 -9.9 -3.7 130 130 A E H >X S+ 0 0 76 -4,-1.9 4,-0.8 -5,-0.2 3,-0.6 0.944 111.7 44.1 -66.1 -52.6 12.8 -8.9 -0.1 131 131 A L H ><>S+ 0 0 9 -4,-2.5 5,-2.3 1,-0.2 3,-0.8 0.864 107.2 62.1 -61.1 -36.3 9.2 -9.5 0.9 132 132 A A H ><5S+ 0 0 65 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.825 96.9 58.3 -58.2 -34.0 9.2 -12.8 -1.1 133 133 A K H <<5S+ 0 0 160 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.849 110.1 44.0 -64.5 -28.9 12.0 -14.0 1.3 134 134 A M T <<5S- 0 0 94 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.313 120.1-111.3 -96.6 8.2 9.5 -13.4 4.0 135 135 A K T < 5S+ 0 0 206 -3,-1.4 2,-0.3 1,-0.3 -3,-0.3 0.926 82.5 116.6 59.7 44.3 6.6 -15.1 2.1 136 136 A Q < - 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0 0 25 -5,-1.8 2,-0.5 -6,-0.2 -1,-0.2 -0.880 62.4-114.5-134.3 168.1 23.1 6.7 31.3 466 109 F S - 0 0 73 -2,-0.3 2,-0.2 -3,-0.1 -37,-0.1 -0.912 37.3-177.9-114.9 128.8 21.0 4.5 29.0 467 110 F L - 0 0 13 -2,-0.5 2,-0.4 -39,-0.1 -41,-0.1 -0.623 24.1-129.7-126.4 175.6 19.8 5.7 25.7 468 111 F D > - 0 0 28 -43,-0.6 3,-2.1 -2,-0.2 -2,-0.0 -0.912 2.9-157.3-138.4 106.1 17.8 4.9 22.7 469 112 F I T 3 S+ 0 0 59 -2,-0.4 -1,-0.1 1,-0.3 -13,-0.0 0.829 97.0 49.4 -45.3 -42.3 19.0 5.3 19.1 470 113 F N T 3 S+ 0 0 100 -408,-0.1 -1,-0.3 2,-0.0 -44,-0.0 0.526 81.8 116.4 -79.6 -8.6 15.4 5.4 17.8 471 114 F A < + 0 0 0 -3,-2.1 -409,-0.2 1,-0.2 -38,-0.1 -0.382 21.7 137.6 -67.5 139.5 14.0 8.0 20.3 472 115 F A + 0 0 2 -411,-0.4 2,-0.4 1,-0.4 -410,-0.2 0.424 52.5 60.9-140.2 -53.4 12.9 11.2 18.7 473 116 F Q - 0 0 0 -412,-1.9 2,-0.4 -413,-0.2 -1,-0.4 -0.705 64.2-161.3 -92.3 128.9 9.6 12.5 20.1 474 117 F S > - 0 0 0 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.902 25.6-137.4-111.1 143.7 9.5 13.4 23.8 475 118 F S H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.811 106.9 63.7 -65.0 -26.1 6.4 13.7 25.9 476 119 F I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.956 104.0 40.5 -59.6 -57.4 8.2 16.7 27.2 477 120 F N H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.917 115.2 53.4 -61.1 -40.7 8.4 18.7 24.0 478 121 F H H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.932 109.5 48.0 -57.6 -47.2 4.8 17.7 23.1 479 122 F L H < S+ 0 0 22 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.865 112.8 48.3 -61.9 -39.8 3.5 18.9 26.5 480 123 F V H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.934 113.3 49.3 -62.1 -42.0 5.4 22.2 26.1 481 124 F S H 3< S+ 0 0 14 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.766 112.5 45.1 -70.7 -29.1 4.0 22.5 22.6 482 125 F G T 3< S+ 0 0 32 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.3 0.374 85.4 113.6 -96.7 2.1 0.4 21.8 23.6 483 126 F S <> - 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0 0 98 -2,-0.2 4,-2.5 -3,-0.1 5,-0.1 -0.292 34.2-103.2 -77.1 170.9 5.9 38.4 60.6 681 142 G R H > S+ 0 0 38 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.875 119.3 54.4 -61.3 -41.2 5.1 34.7 61.1 682 143 G S H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.939 111.6 44.1 -60.2 -51.6 8.7 33.6 60.5 683 144 G V H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.925 115.1 50.8 -52.8 -48.4 10.0 35.9 63.3 684 145 G K H X S+ 0 0 45 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 111.4 46.1 -59.9 -50.5 7.1 34.8 65.5 685 146 G N H X S+ 0 0 9 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.920 116.6 44.7 -58.3 -43.8 7.8 31.1 65.0 686 147 G D H X S+ 0 0 108 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.903 114.9 47.8 -72.8 -37.6 11.5 31.4 65.6 687 148 G T H X S+ 0 0 6 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.961 112.3 49.7 -64.6 -48.3 11.1 33.7 68.6 688 149 G T H X S+ 0 0 36 -4,-2.5 4,-2.9 -5,-0.3 5,-0.2 0.914 111.6 46.4 -61.2 -46.1 8.6 31.5 70.2 689 150 G S H X S+ 0 0 25 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.905 112.8 52.8 -66.3 -32.6 10.7 28.3 69.7 690 151 G N H X S+ 0 0 67 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.945 114.4 40.6 -61.0 -45.8 13.7 30.2 71.1 691 152 G V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.915 113.4 52.6 -78.8 -39.7 11.8 31.4 74.2 692 153 G A H X S+ 0 0 1 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.823 107.3 52.1 -62.6 -33.0 10.1 28.1 74.8 693 154 G N H X S+ 0 0 21 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.879 111.1 48.2 -70.5 -36.1 13.4 26.1 74.7 694 155 G L H X S+ 0 0 43 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.930 111.6 48.5 -66.8 -46.2 14.9 28.5 77.3 695 156 G I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.923 112.9 49.8 -57.7 -44.7 11.9 28.2 79.6 696 157 G S H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.894 109.1 52.0 -59.9 -43.6 12.0 24.5 79.2 697 158 G D H X S+ 0 0 14 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.954 112.9 43.3 -59.5 -56.7 15.8 24.4 80.0 698 159 G Q H X S+ 0 0 12 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.889 113.4 51.8 -58.8 -41.8 15.3 26.4 83.2 699 160 G F H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 5,-0.4 0.943 110.4 48.9 -60.2 -48.6 12.3 24.4 84.3 700 161 G F H X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.2 4,-2.1 0.892 112.9 46.9 -55.7 -45.7 14.2 21.1 83.8 701 162 G E H <5S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.811 118.7 40.8 -68.4 -32.7 17.2 22.3 85.8 702 163 G K H <5S+ 0 0 93 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.635 131.2 20.4 -90.2 -18.5 15.1 23.7 88.6 703 164 G N H <5S+ 0 0 40 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.663 128.7 29.6-127.7 -24.7 12.5 20.8 88.8 704 165 G V T <5S- 0 0 16 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.856 121.5 -21.7-107.2 -53.3 13.7 17.6 87.2 705 166 G Q < - 0 0 46 -5,-2.2 2,-0.9 2,-0.1 -1,-0.3 -0.889 56.8-114.0-164.8 133.4 17.5 17.4 87.5 706 167 G Y + 0 0 213 -2,-0.3 2,-0.4 -4,-0.1 -5,-0.1 -0.632 57.2 136.9 -67.9 100.0 20.5 19.9 88.1 707 168 G I - 0 0 19 -2,-0.9 2,-1.3 0, 0.0 3,-0.1 -0.953 59.9-119.8-140.5 135.2 22.5 19.7 84.8 708 169 G D > + 0 0 63 -2,-0.4 4,-2.3 1,-0.2 3,-0.2 -0.692 34.2 179.2 -76.0 94.3 23.8 23.0 83.3 709 170 G L H > S+ 0 0 0 -2,-1.3 4,-4.0 1,-0.2 -1,-0.2 0.802 76.4 60.4 -68.5 -30.2 22.0 22.8 80.0 710 171 G K H > S+ 0 0 174 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.885 109.3 42.2 -63.4 -40.2 23.4 26.1 78.9 711 172 G K H > S+ 0 0 134 2,-0.2 4,-2.0 -3,-0.2 5,-0.2 0.931 114.0 51.9 -74.3 -41.3 26.9 24.8 79.2 712 173 G L H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.6 0.968 109.2 50.1 -57.3 -53.4 25.8 21.5 77.6 713 174 G R H 3X S+ 0 0 53 -4,-4.0 4,-0.5 1,-0.2 -1,-0.2 0.883 113.3 47.9 -50.1 -35.5 24.3 23.4 74.7 714 175 G G H 3< S+ 0 0 51 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.753 113.6 44.2 -85.5 -23.7 27.6 25.4 74.4 715 176 G N H XX S+ 0 0 72 -4,-2.0 4,-3.5 -3,-0.6 3,-0.6 0.517 91.4 86.7 -90.3 -13.3 29.9 22.4 74.5 716 177 G M H 3X S+ 0 0 2 -4,-1.5 4,-1.7 1,-0.3 5,-0.2 0.897 82.5 57.4 -61.2 -41.4 27.8 20.3 72.1 717 178 G S H 3X S+ 0 0 53 -4,-0.5 4,-2.0 2,-0.2 -1,-0.3 0.855 114.3 39.8 -54.1 -38.7 29.5 21.8 69.1 718 179 G D H <> S+ 0 0 82 -3,-0.6 4,-3.7 2,-0.2 5,-0.3 0.882 105.5 64.1 -76.6 -45.6 32.9 20.4 70.6 719 180 G Y H < S+ 0 0 28 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.873 113.8 38.4 -36.8 -40.3 31.3 17.1 71.8 720 181 G I H >< S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.2 4,-0.4 0.970 118.3 42.7 -83.6 -57.5 30.8 16.6 68.1 721 182 G T H >< S+ 0 0 55 -4,-2.0 3,-1.0 1,-0.3 -2,-0.2 0.809 109.6 60.0 -60.3 -32.0 33.9 18.0 66.5 722 183 G N T 3< S+ 0 0 119 -4,-3.7 -1,-0.3 1,-0.2 -2,-0.2 0.574 100.1 57.6 -67.2 -15.0 36.1 16.3 69.3 723 184 G L T < S+ 0 0 47 -3,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.510 103.4 66.3 -95.0 -9.4 34.7 13.0 68.1 724 185 G E S < S- 0 0 66 -3,-1.0 -3,-0.0 -4,-0.4 0, 0.0 -0.479 77.8-132.1 -94.2 171.3 36.0 13.7 64.6 725 186 G S - 0 0 100 -2,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.928 10.5-144.0-116.5 156.2 39.6 13.9 63.3 726 187 G P 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.707 360.0 360.0 -92.3 -21.7 40.6 16.9 61.1 727 188 G F 0 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.364 360.0 360.0 -87.5 360.0 43.1 15.3 58.7