==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 07-JUL-09 3I6G . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIU . 768 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 272 35.4 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 . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 . 51 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 0 0 0 0 0 2 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 11 5 5 0 8 0 4 6 2 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 4 4 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 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 G 0 0 49 0, 0.0 106,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-164.1 26.7 -3.4 28.7 2 2 A S - 0 0 67 104,-0.1 2,-0.3 103,-0.1 102,-0.2 -0.324 360.0-167.8 -74.0 154.4 23.7 -3.5 31.0 3 3 A H E -A 103 0A 21 100,-2.1 100,-2.6 101,-0.1 2,-0.3 -0.930 3.0-162.7-138.1 163.0 22.6 -0.6 33.1 4 4 A S E -A 102 0A 22 -2,-0.3 25,-2.5 98,-0.2 2,-0.4 -0.985 13.6-152.3-143.8 150.7 20.2 0.0 36.0 5 5 A M E +AB 101 28A 0 96,-2.2 96,-1.3 -2,-0.3 2,-0.4 -1.000 26.5 178.5-119.8 131.1 18.4 2.8 37.8 6 6 A R E -AB 100 27A 40 21,-2.7 21,-3.3 -2,-0.4 2,-0.4 -0.996 18.6-161.9-136.0 137.2 17.6 2.1 41.4 7 7 A Y E -AB 99 26A 1 92,-2.7 92,-1.7 -2,-0.4 2,-0.4 -0.964 10.2-164.4-114.5 135.4 15.9 4.1 44.2 8 8 A F E -AB 98 25A 28 17,-2.7 17,-2.2 -2,-0.4 2,-0.4 -0.977 4.7-170.8-121.9 130.0 16.4 3.1 47.8 9 9 A F E -AB 97 24A 1 88,-3.0 88,-2.1 -2,-0.4 2,-0.4 -0.972 4.0-173.4-124.2 133.1 14.2 4.4 50.6 10 10 A T E -AB 96 23A 4 13,-2.7 13,-2.3 -2,-0.4 2,-0.4 -0.984 2.4-178.9-127.9 126.0 14.6 4.0 54.4 11 11 A S E -AB 95 22A 2 84,-2.8 84,-3.1 -2,-0.4 2,-0.5 -0.987 4.9-173.5-124.6 126.6 12.1 5.0 57.1 12 12 A V E -AB 94 21A 16 9,-2.3 9,-2.2 -2,-0.4 82,-0.2 -0.959 18.9-134.7-126.8 116.4 12.9 4.6 60.8 13 13 A S - 0 0 23 80,-2.4 6,-0.1 -2,-0.5 62,-0.0 -0.344 10.9-154.2 -64.5 146.1 10.4 5.2 63.6 14 14 A R > - 0 0 47 4,-0.6 3,-2.6 78,-0.1 78,-0.1 -0.768 15.0-141.9-127.4 84.5 11.7 7.1 66.6 15 15 A P T 3 S- 0 0 43 0, 0.0 77,-0.1 0, 0.0 75,-0.1 -0.192 84.2 -5.7 -49.5 123.8 9.7 6.2 69.7 16 16 A G T 3 S+ 0 0 92 1,-0.1 74,-0.0 2,-0.1 73,-0.0 0.606 120.2 89.6 63.9 13.0 9.0 9.2 71.9 17 17 A R S < S- 0 0 167 -3,-2.6 2,-0.2 1,-0.4 -1,-0.1 0.038 90.0-115.5-130.7 25.9 11.3 11.2 69.6 18 18 A G + 0 0 60 -4,-0.1 -4,-0.6 -5,-0.0 -1,-0.4 -0.443 68.0 14.7 85.4-148.6 8.9 12.6 67.0 19 19 A E S S- 0 0 111 -2,-0.2 3,-0.1 1,-0.1 -7,-0.0 -0.242 81.7 -94.7 -72.6 151.9 8.7 11.9 63.2 20 20 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.207 36.1-110.9 -61.8 150.6 10.5 9.1 61.4 21 21 A R E -B 12 0A 73 -9,-2.2 -9,-2.3 18,-0.0 2,-0.4 -0.707 36.9-166.2 -75.1 132.5 13.9 9.5 59.8 22 22 A F E +B 11 0A 1 -2,-0.4 16,-2.8 -11,-0.2 2,-0.4 -0.968 11.9 174.5-128.6 118.9 13.5 9.3 56.1 23 23 A I E -BC 10 37A 9 -13,-2.3 -13,-2.7 -2,-0.4 2,-0.4 -0.984 3.2-179.7-122.7 129.3 16.4 8.9 53.7 24 24 A A E +BC 9 36A 2 12,-3.1 12,-2.5 -2,-0.4 2,-0.3 -0.993 1.3 178.4-129.4 135.9 16.1 8.4 49.9 25 25 A V E -BC 8 35A 1 -17,-2.2 -17,-2.7 -2,-0.4 2,-0.4 -0.984 14.7-148.9-135.3 147.0 18.8 7.9 47.4 26 26 A G E -BC 7 34A 0 8,-1.9 7,-2.7 -2,-0.3 8,-1.0 -0.946 14.4-170.2-116.1 138.2 18.9 7.3 43.6 27 27 A Y E -BC 6 32A 32 -21,-3.3 -21,-2.7 -2,-0.4 2,-0.5 -0.957 19.9-160.3-124.3 142.8 21.5 5.4 41.7 28 28 A V E > S-BC 5 31A 0 3,-2.6 3,-2.4 -2,-0.4 -23,-0.2 -0.999 82.6 -44.0-110.3 121.3 22.4 4.8 38.1 29 29 A D T 3 S- 0 0 20 -25,-2.5 -23,-0.1 -2,-0.5 -26,-0.1 -0.392 125.8 -26.6 51.3-124.4 24.5 1.7 38.1 30 30 A D T 3 S+ 0 0 65 149,-0.1 2,-0.5 -3,-0.1 -1,-0.3 -0.003 119.0 99.0-106.3 30.4 26.8 2.3 41.1 31 31 A T E < -C 28 0A 29 -3,-2.4 -3,-2.6 148,-0.0 2,-0.2 -0.958 65.2-142.7-120.7 114.8 26.7 6.1 40.9 32 32 A Q E +C 27 0A 34 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.500 24.0 170.5 -71.2 143.1 24.4 8.0 43.2 33 33 A F E + 0 0 0 -7,-2.7 15,-2.4 1,-0.3 16,-0.7 0.554 58.1 26.8-130.3 -17.6 22.8 11.0 41.6 34 34 A V E -CD 26 47A 1 -8,-1.0 -8,-1.9 13,-0.3 -1,-0.3 -0.975 55.2-176.5-143.5 160.5 20.2 12.2 44.1 35 35 A R E -CD 25 46A 32 11,-1.7 11,-2.7 -2,-0.3 2,-0.4 -0.990 10.7-170.3-151.7 148.0 19.4 12.3 47.8 36 36 A F E -C 24 0A 6 -12,-2.5 -12,-3.1 -2,-0.3 2,-0.4 -0.966 10.1-178.5-134.3 127.8 16.7 13.3 50.2 37 37 A D E > -C 23 0A 13 -2,-0.4 3,-1.9 7,-0.3 6,-0.3 -0.990 22.6-148.5-126.4 122.7 17.4 13.3 54.0 38 38 A S T 3 S+ 0 0 22 -16,-2.8 -15,-0.1 -2,-0.4 -1,-0.1 0.745 100.4 53.1 -60.5 -24.3 14.6 14.3 56.3 39 39 A D T 3 S+ 0 0 89 -17,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.465 91.9 96.7 -93.9 0.4 17.2 15.6 58.8 40 40 A A S < S- 0 0 24 -3,-1.9 -4,-0.0 1,-0.1 3,-0.0 -0.311 79.9-117.1 -82.5 173.0 18.9 17.8 56.2 41 41 A A S S+ 0 0 100 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.874 100.0 57.4 -82.1 -41.2 18.3 21.5 55.7 42 42 A S S S- 0 0 52 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.814 76.9-152.1 -64.7 -32.7 16.9 21.9 52.2 43 43 A Q + 0 0 80 -6,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.844 64.6 104.8 54.4 34.2 13.9 19.6 52.6 44 44 A R S S- 0 0 94 -7,-0.1 -7,-0.3 -9,-0.1 2,-0.3 -0.913 86.3 -91.7-133.9 162.3 14.3 19.1 48.8 45 45 A M - 0 0 6 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.614 51.5-153.8 -70.6 137.7 15.7 16.4 46.5 46 46 A E E -D 35 0A 35 -11,-2.7 -11,-1.7 -2,-0.3 2,-0.1 -0.934 12.4-112.0-126.8 142.5 19.3 17.3 46.0 47 47 A P E +D 34 0A 45 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.351 29.0 172.2 -69.3 145.7 21.8 16.6 43.2 48 48 A R + 0 0 107 -15,-2.4 -14,-0.2 1,-0.2 -16,-0.1 0.207 63.4 55.7-139.7 9.9 24.8 14.2 43.8 49 49 A A S >> S- 0 0 4 -16,-0.7 3,-1.3 1,-0.1 4,-0.8 -0.992 79.0-125.3-142.0 144.6 26.2 13.9 40.3 50 50 A P G >4 S+ 0 0 102 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.882 107.6 58.0 -54.5 -40.4 27.5 16.6 37.9 51 51 A W G 34 S+ 0 0 12 1,-0.3 3,-0.2 2,-0.2 4,-0.1 0.637 102.4 52.5 -71.9 -15.6 25.2 15.4 35.1 52 52 A I G X4 S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.2 -1,-0.3 0.666 89.3 78.6 -90.6 -17.1 22.0 15.7 37.1 53 53 A E T << S+ 0 0 128 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.797 82.2 67.2 -61.5 -27.8 22.6 19.4 38.0 54 54 A Q T 3 S+ 0 0 120 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.673 73.2 109.1 -70.2 -19.3 21.6 20.5 34.6 55 55 A E S < S- 0 0 17 -3,-1.5 5,-0.1 -4,-0.1 -3,-0.0 -0.330 71.8-120.6 -58.0 139.7 17.9 19.5 35.1 56 56 A G >> - 0 0 33 1,-0.1 4,-1.6 3,-0.1 3,-1.0 -0.127 28.9 -88.5 -79.7 177.6 15.8 22.6 35.5 57 57 A P H 3> S+ 0 0 89 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.790 124.0 63.4 -55.8 -34.4 13.5 23.7 38.4 58 58 A E H 3> S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.894 105.0 47.3 -58.8 -40.2 10.6 21.8 37.0 59 59 A Y H <> S+ 0 0 15 -3,-1.0 4,-2.6 2,-0.2 5,-0.3 0.976 115.0 42.7 -64.2 -56.4 12.6 18.6 37.5 60 60 A W H X S+ 0 0 28 -4,-1.6 4,-2.3 1,-0.2 -15,-0.4 0.876 112.5 53.3 -62.4 -40.5 13.7 19.4 41.1 61 61 A D H X S+ 0 0 62 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.929 112.5 46.5 -57.2 -46.0 10.3 20.6 42.1 62 62 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -2,-0.2 0.901 113.0 45.9 -63.8 -45.9 8.8 17.4 40.9 63 63 A E H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.863 112.1 54.0 -67.2 -34.4 11.3 15.0 42.5 64 64 A T H X S+ 0 0 5 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.922 110.8 44.4 -65.4 -45.0 10.9 17.0 45.7 65 65 A R H X S+ 0 0 111 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.923 115.5 48.1 -65.5 -43.5 7.2 16.6 45.7 66 66 A K H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.923 110.0 50.9 -63.3 -43.7 7.4 12.9 44.8 67 67 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.837 110.0 51.1 -68.5 -30.2 10.0 12.2 47.5 68 68 A K H X S+ 0 0 104 -4,-1.6 4,-3.4 2,-0.2 -1,-0.2 0.894 108.2 51.0 -68.5 -42.1 7.9 13.9 50.1 69 69 A A H X S+ 0 0 47 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.831 110.5 50.6 -63.9 -32.8 4.8 11.8 49.1 70 70 A H H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.912 111.3 48.2 -66.7 -46.4 7.1 8.7 49.4 71 71 A S H X S+ 0 0 31 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.963 112.3 48.2 -56.1 -54.4 8.1 10.0 52.9 72 72 A Q H X S+ 0 0 77 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.884 108.9 54.5 -56.4 -42.0 4.5 10.5 53.9 73 73 A T H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.906 111.1 43.6 -61.1 -42.6 3.5 7.1 52.6 74 74 A H H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.779 104.7 63.5 -78.2 -24.0 6.0 5.3 54.7 75 75 A R H X S+ 0 0 107 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.914 110.0 41.0 -60.8 -41.7 5.3 7.4 57.8 76 76 A V H X S+ 0 0 55 -4,-1.6 4,-2.4 -5,-0.2 3,-0.5 0.899 109.6 60.1 -70.5 -41.1 1.8 5.9 57.6 77 77 A D H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.849 97.6 58.3 -56.2 -41.4 3.2 2.4 56.8 78 78 A L H X S+ 0 0 13 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.905 110.3 43.8 -56.7 -42.0 5.2 2.3 60.0 79 79 A G H X S+ 0 0 40 -4,-0.8 4,-1.7 -3,-0.5 -2,-0.2 0.916 113.7 50.6 -68.7 -43.0 2.0 2.7 62.0 80 80 A T H X S+ 0 0 37 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.915 112.5 46.1 -60.1 -45.2 0.2 0.2 59.8 81 81 A L H X S+ 0 0 3 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.854 107.3 56.8 -69.4 -36.6 2.9 -2.4 60.2 82 82 A R H <>S+ 0 0 82 -4,-1.9 5,-2.8 -5,-0.3 -1,-0.2 0.878 112.1 44.1 -60.7 -36.4 3.1 -1.9 63.9 83 83 A G H ><5S+ 0 0 51 -4,-1.7 3,-1.6 3,-0.2 -2,-0.2 0.930 107.7 57.2 -72.0 -47.8 -0.6 -2.7 64.0 84 84 A Y H 3<5S+ 0 0 75 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.859 119.8 31.8 -48.3 -40.4 -0.3 -5.6 61.7 85 85 A Y T 3<5S- 0 0 75 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.295 106.7-125.6-103.5 8.6 2.2 -7.2 64.1 86 86 A N T < 5 + 0 0 149 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.880 49.4 170.1 45.7 47.9 0.6 -5.7 67.2 87 87 A Q < - 0 0 48 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.0 -0.520 32.2-109.8 -87.9 155.3 3.9 -4.2 68.2 88 88 A S - 0 0 75 -2,-0.2 3,-0.4 1,-0.1 -1,-0.1 -0.291 19.2-119.1 -78.4 167.0 4.4 -1.8 71.1 89 89 A E S S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.0 -73,-0.1 0.509 101.0 81.8 -80.7 -5.8 5.3 1.9 70.8 90 90 A A S S+ 0 0 84 -75,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.875 81.1 68.3 -68.1 -39.7 8.5 1.3 72.7 91 91 A G S S- 0 0 31 -3,-0.4 2,-0.4 -77,-0.1 -78,-0.0 -0.501 76.1-124.1 -93.3 151.8 10.6 -0.0 69.9 92 92 A S - 0 0 55 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 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-2,-0.3 9,-1.4 -0.879 16.2-167.1-106.3 149.8 17.4 -2.8 34.3 103 103 A V E -AE 3 109A 0 -100,-2.6 -100,-2.1 -2,-0.3 6,-0.2 -0.955 17.0-124.1-128.9 155.3 18.1 -2.3 30.6 104 104 A G > - 0 0 7 4,-2.0 3,-2.5 -2,-0.3 -101,-0.1 -0.076 46.6 -76.6 -83.2-172.7 20.4 -4.4 28.3 105 105 A S T 3 S+ 0 0 89 1,-0.3 -1,-0.1 2,-0.1 -103,-0.1 0.698 134.3 57.6 -58.2 -19.4 23.3 -3.3 26.1 106 106 A D T 3 S- 0 0 95 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.308 114.5-119.3 -94.0 7.5 20.7 -2.0 23.7 107 107 A W S < S+ 0 0 58 -3,-2.5 2,-0.3 1,-0.2 -2,-0.1 0.751 71.0 133.5 59.3 27.6 19.2 0.3 26.4 108 108 A R - 0 0 144 1,-0.1 -4,-2.0 61,-0.0 -1,-0.2 -0.847 68.9 -77.8-107.6 147.5 15.9 -1.5 26.2 109 109 A F E +E 103 0A 64 -2,-0.3 -6,-0.3 52,-0.2 -1,-0.1 -0.057 51.8 162.2 -45.0 129.1 13.9 -2.8 29.2 110 110 A L E - 0 0 101 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.694 61.9 -14.2-111.5 -44.6 15.2 -6.0 30.7 111 111 A R E -E 102 0A 61 -9,-1.4 -9,-3.1 49,-0.1 -1,-0.4 -0.992 50.8-146.0-164.1 151.2 13.7 -6.2 34.1 112 112 A G E -E 101 0A 2 -2,-0.3 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