==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 04-FEB-00 1EEZ . COMPND 2 MOLECULE: HLA-A2.1 MHC CLASS I (HEAVY CHAIN); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.SHARMA,J.J.KUHNS,E.J.COLLINS . 768 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 514 66.9 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 . 271 35.3 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 . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 . 52 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 15.2 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 4 0 0 0 0 0 2 0 4 0 0 0 0 0 0 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 . 4 14 3 5 0 8 1 3 5 3 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 58 0, 0.0 106,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 142.9 12.1 -19.3 5.7 2 2 A S - 0 0 75 104,-0.1 2,-0.3 105,-0.0 102,-0.2 -0.384 360.0-163.2 -77.2 161.2 11.9 -15.7 4.8 3 3 A H E -A 103 0A 28 100,-1.3 100,-2.7 101,-0.3 2,-0.3 -0.838 8.2-158.5-137.7 174.7 8.6 -13.8 4.7 4 4 A S E -A 102 0A 22 -2,-0.3 25,-2.6 98,-0.2 2,-0.4 -0.991 9.4-147.4-155.5 156.1 7.1 -10.6 3.4 5 5 A M E -AB 101 28A 0 96,-2.3 96,-1.4 -2,-0.3 2,-0.4 -0.993 24.5-179.4-126.3 135.6 4.1 -8.3 4.0 6 6 A R E -AB 100 27A 38 21,-3.1 21,-3.4 -2,-0.4 2,-0.4 -0.997 20.9-159.7-145.0 144.8 2.5 -6.4 1.1 7 7 A Y E -AB 99 26A 2 92,-2.4 92,-1.7 -2,-0.4 2,-0.4 -0.977 13.3-164.2-120.6 127.4 -0.3 -4.0 0.4 8 8 A F E -AB 98 25A 28 17,-2.7 17,-2.2 -2,-0.4 2,-0.4 -0.942 4.3-169.2-115.3 133.3 -1.8 -3.6 -3.0 9 9 A F E -AB 97 24A 0 88,-2.7 88,-2.2 -2,-0.4 2,-0.4 -0.981 6.2-177.9-128.7 128.9 -4.0 -0.7 -4.1 10 10 A T E -AB 96 23A 2 13,-2.6 13,-2.8 -2,-0.4 2,-0.4 -0.991 1.7-177.6-126.9 127.0 -6.0 -0.3 -7.3 11 11 A S E -AB 95 22A 1 84,-2.4 84,-2.1 -2,-0.4 2,-0.5 -0.992 4.5-170.2-126.4 127.6 -8.0 2.9 -8.1 12 12 A V E -AB 94 21A 8 9,-2.6 9,-2.4 -2,-0.4 2,-0.2 -0.954 17.5-134.4-125.6 119.7 -10.2 3.1 -11.2 13 13 A S - 0 0 20 80,-2.1 6,-0.1 -2,-0.5 62,-0.0 -0.481 13.2-168.0 -71.9 131.6 -11.8 6.3 -12.6 14 14 A R > - 0 0 58 4,-0.3 3,-2.0 -2,-0.2 78,-0.1 -0.719 16.6-151.0-120.8 76.8 -15.4 6.0 -13.6 15 15 A P T 3 S+ 0 0 30 0, 0.0 4,-0.1 0, 0.0 75,-0.1 -0.234 78.6 4.7 -52.0 122.2 -16.1 9.2 -15.6 16 16 A G T 3 S+ 0 0 92 2,-0.2 3,-0.1 73,-0.1 74,-0.0 0.661 119.4 77.4 76.8 15.6 -19.8 10.2 -15.3 17 17 A R S < S- 0 0 149 -3,-2.0 2,-0.2 1,-0.5 -1,-0.0 -0.077 100.8 -78.6-149.6 44.0 -20.7 7.4 -12.9 18 18 A G S S- 0 0 58 -5,-0.0 -1,-0.5 3,-0.0 -4,-0.3 -0.486 74.9 -21.0 99.8-168.5 -19.5 8.3 -9.4 19 19 A E S S- 0 0 95 -2,-0.2 3,-0.1 1,-0.1 -7,-0.0 -0.389 80.3 -86.2 -75.4 157.0 -16.2 8.3 -7.5 20 20 A P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.293 46.6-106.5 -64.7 153.9 -13.4 6.1 -8.7 21 21 A R E -B 12 0A 86 -9,-2.4 -9,-2.6 -3,-0.1 2,-0.5 -0.669 36.0-163.9 -81.1 133.5 -13.4 2.5 -7.4 22 22 A F E +B 11 0A 1 -2,-0.4 16,-2.4 -11,-0.2 2,-0.5 -0.966 10.1 179.4-126.6 117.5 -10.8 1.8 -4.8 23 23 A I E +BC 10 37A 12 -13,-2.8 -13,-2.6 -2,-0.5 2,-0.4 -0.968 2.2 179.8-119.3 126.9 -9.7 -1.7 -3.8 24 24 A A E +BC 9 36A 3 12,-2.2 12,-1.8 -2,-0.5 2,-0.3 -0.987 2.2 175.2-127.6 133.7 -7.0 -2.3 -1.2 25 25 A V E -BC 8 35A 2 -17,-2.2 -17,-2.7 -2,-0.4 2,-0.4 -0.989 14.6-150.3-137.7 147.3 -5.8 -5.7 -0.0 26 26 A G E -BC 7 34A 0 8,-1.9 7,-2.3 -2,-0.3 8,-1.0 -0.932 13.6-170.5-120.1 145.0 -3.0 -6.8 2.3 27 27 A Y E -BC 6 32A 33 -21,-3.4 -21,-3.1 -2,-0.4 2,-0.5 -0.951 22.0-159.7-135.4 152.1 -0.9 -10.0 2.3 28 28 A V E > S-BC 5 31A 0 3,-2.2 3,-2.4 -2,-0.3 -23,-0.2 -0.994 81.5 -45.6-124.2 114.6 1.5 -11.8 4.4 29 29 A D T 3 S- 0 0 28 -25,-2.6 -23,-0.1 -2,-0.5 -26,-0.1 -0.383 124.5 -26.4 54.6-126.5 3.4 -14.2 2.1 30 30 A D T 3 S+ 0 0 63 -3,-0.1 2,-0.5 149,-0.1 -1,-0.3 0.037 118.3 97.4-105.3 27.3 0.6 -15.7 0.0 31 31 A T E < -C 28 0A 22 -3,-2.4 -3,-2.2 148,-0.0 2,-0.2 -0.965 65.0-143.4-119.3 117.8 -2.2 -15.3 2.6 32 32 A Q E +C 27 0A 28 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.552 24.4 169.4 -75.9 144.1 -4.5 -12.3 2.3 33 33 A F E + 0 0 0 -7,-2.3 15,-2.4 1,-0.3 16,-0.7 0.549 57.6 26.7-130.8 -17.5 -5.6 -10.9 5.7 34 34 A V E +CD 26 47A 1 -8,-1.0 -8,-1.9 13,-0.3 -1,-0.3 -0.967 55.9 176.9-144.5 159.9 -7.4 -7.5 5.0 35 35 A R E -CD 25 46A 61 11,-1.5 11,-2.4 -2,-0.3 2,-0.3 -0.980 11.2-161.8-157.1 162.5 -9.4 -5.8 2.3 36 36 A F E -C 24 0A 5 -12,-1.8 -12,-2.2 -2,-0.3 2,-0.5 -0.944 2.9-170.3-152.6 129.2 -11.3 -2.7 1.5 37 37 A D E > -C 23 0A 31 7,-0.3 3,-1.7 -2,-0.3 6,-0.4 -0.971 14.3-156.7-125.2 115.7 -13.8 -2.0 -1.2 38 38 A S T 3 S+ 0 0 25 -16,-2.4 -1,-0.1 -2,-0.5 -15,-0.1 0.714 99.6 51.0 -61.5 -21.6 -15.0 1.5 -1.8 39 39 A D T 3 S+ 0 0 72 -17,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.498 89.9 103.8 -93.7 -5.7 -18.1 0.1 -3.4 40 40 A A S < S- 0 0 27 -3,-1.7 3,-0.1 1,-0.1 0, 0.0 -0.424 76.2-127.0 -75.8 153.6 -18.8 -2.1 -0.4 41 41 A A S S+ 0 0 105 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.908 100.4 59.9 -66.8 -44.4 -21.5 -1.2 2.1 42 42 A S S S- 0 0 52 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.836 78.7-155.9 -54.1 -43.8 -19.4 -1.4 5.3 43 43 A Q + 0 0 79 -6,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.874 56.0 111.7 63.3 37.7 -16.8 1.3 4.3 44 44 A R S S- 0 0 89 -7,-0.1 -7,-0.3 23,-0.0 -1,-0.3 -0.956 80.2 -98.7-138.6 156.8 -14.4 -0.4 6.7 45 45 A M - 0 0 6 15,-0.5 -9,-0.2 -2,-0.3 19,-0.2 -0.582 49.8-158.4 -71.0 136.5 -11.2 -2.4 6.6 46 46 A E E -D 35 0A 50 -11,-2.4 -11,-1.5 -2,-0.3 2,-0.1 -0.938 15.1-112.5-125.7 147.3 -12.3 -6.0 6.9 47 47 A P E +D 34 0A 50 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.453 24.8 179.1 -73.8 143.6 -10.5 -9.2 8.0 48 48 A R + 0 0 89 -15,-2.4 -14,-0.2 -2,-0.1 -16,-0.2 0.224 65.6 50.8-129.1 11.2 -9.9 -11.9 5.4 49 49 A A S >> S- 0 0 7 -16,-0.7 3,-1.1 1,-0.1 4,-0.8 -0.993 79.6-119.6-149.1 149.7 -8.0 -14.4 7.5 50 50 A P H >> S+ 0 0 90 0, 0.0 3,-1.1 0, 0.0 4,-0.6 0.911 106.1 57.7 -53.4 -53.5 -8.6 -16.1 10.9 51 51 A W H 34 S+ 0 0 19 1,-0.2 125,-0.1 2,-0.2 -18,-0.1 0.568 105.5 50.1 -61.1 -11.7 -5.5 -14.8 12.7 52 52 A I H X4 S+ 0 0 0 -3,-1.1 3,-1.8 1,-0.1 -1,-0.2 0.662 90.3 78.3-100.3 -18.3 -6.3 -11.1 12.2 53 53 A E H << S+ 0 0 122 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.1 0.800 84.3 64.7 -59.2 -30.7 -9.9 -11.3 13.5 54 54 A Q T 3< S+ 0 0 189 -4,-0.6 2,-0.3 2,-0.0 -1,-0.3 0.314 74.0 112.2 -79.0 10.1 -8.7 -11.3 17.1 55 55 A E S < S- 0 0 23 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.652 74.3-112.4 -78.8 141.8 -7.3 -7.8 16.7 56 56 A G >> - 0 0 38 -2,-0.3 4,-1.4 1,-0.1 3,-0.8 -0.079 29.4 -93.3 -70.4 173.4 -9.3 -5.4 18.8 57 57 A P H 3> S+ 0 0 100 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.830 121.4 66.4 -55.9 -34.1 -11.6 -2.6 17.6 58 58 A E H 3> S+ 0 0 143 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 101.3 48.4 -54.2 -46.1 -8.8 -0.1 17.9 59 59 A Y H <> S+ 0 0 14 -3,-0.8 4,-2.8 1,-0.2 5,-0.3 0.947 113.8 45.6 -60.5 -50.5 -6.9 -1.9 15.1 60 60 A W H X S+ 0 0 26 -4,-1.4 4,-1.8 1,-0.2 -15,-0.5 0.867 114.0 47.6 -64.4 -37.2 -10.0 -2.0 12.8 61 61 A D H X S+ 0 0 83 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.899 114.1 49.7 -70.1 -37.0 -10.9 1.7 13.4 62 62 A G H X S+ 0 0 8 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.954 113.3 42.2 -65.7 -50.6 -7.3 2.6 12.8 63 63 A E H X S+ 0 0 6 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.856 113.1 54.1 -66.0 -34.2 -6.8 0.8 9.6 64 64 A T H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.955 109.5 48.5 -62.8 -49.7 -10.2 1.9 8.3 65 65 A R H X S+ 0 0 154 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.918 116.6 42.1 -55.9 -47.6 -9.2 5.5 9.0 66 66 A K H X S+ 0 0 24 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.849 112.4 52.3 -72.3 -33.3 -5.9 5.1 7.2 67 67 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.880 107.5 53.3 -70.6 -35.0 -7.2 3.1 4.3 68 68 A K H X S+ 0 0 106 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.870 108.3 51.0 -64.1 -36.5 -9.9 5.7 3.7 69 69 A A H X S+ 0 0 45 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.857 108.1 51.3 -68.0 -37.5 -7.0 8.3 3.6 70 70 A H H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 3,-0.3 0.942 108.0 53.3 -63.3 -45.8 -5.2 6.1 1.0 71 71 A S H X S+ 0 0 27 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.907 107.6 50.7 -54.1 -44.9 -8.4 6.0 -1.0 72 72 A Q H X S+ 0 0 87 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.834 107.9 53.4 -64.1 -33.7 -8.5 9.9 -0.9 73 73 A T H >X S+ 0 0 10 -4,-1.6 4,-2.5 -3,-0.3 3,-0.7 0.940 109.1 46.7 -67.7 -47.5 -4.9 10.1 -2.1 74 74 A H H 3X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.689 106.7 60.7 -68.9 -17.0 -5.5 7.9 -5.2 75 75 A R H 3X S+ 0 0 111 -4,-1.0 4,-0.6 -5,-0.3 -1,-0.2 0.817 111.3 38.7 -77.1 -31.0 -8.6 9.9 -5.9 76 76 A V H X S+ 0 0 33 -4,-2.1 4,-2.4 2,-0.2 3,-0.7 0.969 114.0 42.2 -61.9 -53.3 -3.2 14.9 -11.2 81 81 A L H 3X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.3 -1,-0.2 0.847 106.9 62.4 -61.5 -36.9 -2.0 12.2 -13.8 82 82 A R H 3<>S+ 0 0 87 -4,-1.7 5,-3.2 -5,-0.3 -1,-0.3 0.851 113.5 37.2 -56.6 -34.4 -5.0 12.9 -15.9 83 83 A G H X<5S+ 0 0 40 -4,-1.3 3,-1.3 -3,-0.7 -2,-0.2 0.830 107.8 61.6 -87.0 -37.1 -3.5 16.4 -16.3 84 84 A Y H 3<5S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.795 117.3 34.1 -59.3 -27.9 0.1 15.4 -16.4 85 85 A Y T 3<5S- 0 0 73 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.278 110.2-122.8-109.9 8.9 -0.8 13.5 -19.6 86 86 A N T < 5 + 0 0 154 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.964 51.4 169.0 44.8 72.3 -3.4 16.0 -20.8 87 87 A Q < - 0 0 44 -5,-3.2 -1,-0.2 1,-0.1 -2,-0.1 -0.854 37.5-101.3-116.0 151.8 -6.1 13.3 -20.9 88 88 A S - 0 0 82 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 -0.291 22.5-128.2 -66.7 153.2 -9.9 13.7 -21.4 89 89 A E S S+ 0 0 146 1,-0.2 -1,-0.1 3,-0.0 -73,-0.1 0.468 104.5 69.2 -81.1 0.8 -12.1 13.5 -18.3 90 90 A A S S+ 0 0 70 -75,-0.1 -1,-0.2 2,-0.1 -3,-0.0 0.835 80.5 86.7 -86.0 -37.4 -14.1 10.9 -20.3 91 91 A G S S- 0 0 28 -3,-0.4 2,-0.6 1,-0.1 -4,-0.0 -0.249 76.0-123.9 -68.3 153.1 -11.6 8.1 -20.4 92 92 A S - 0 0 50 -78,-0.1 2,-0.3 -77,-0.1 -78,-0.1 -0.862 33.7-176.6 -98.7 120.7 -11.2 5.5 -17.6 93 93 A H - 0 0 13 -2,-0.6 -80,-2.1 216,-0.0 2,-0.4 -0.825 14.3-143.0-118.5 160.3 -7.7 5.3 -16.2 94 94 A T E -A 12 0A 2 -2,-0.3 25,-4.1 -82,-0.2 2,-0.4 -0.967 9.6-171.7-127.2 134.2 -6.0 3.1 -13.6 95 95 A V E -AE 11 118A 0 -84,-2.1 -84,-2.4 -2,-0.4 2,-0.4 -0.967 9.5-168.1-120.4 137.6 -3.5 3.8 -10.9 96 96 A Q E -AE 10 117A 0 21,-2.5 21,-2.8 -2,-0.4 2,-0.4 -0.978 4.8-172.6-128.4 141.8 -1.8 1.1 -8.9 97 97 A R E +AE 9 116A 2 -88,-2.2 -88,-2.7 -2,-0.4 2,-0.4 -0.993 3.7 178.9-132.8 139.5 0.3 1.3 -5.8 98 98 A M E +AE 8 115A 15 17,-2.3 17,-3.3 -2,-0.4 2,-0.3 -0.988 7.6 162.5-142.2 130.1 2.3 -1.5 -4.0 99 99 A Y E +AE 7 114A 2 -92,-1.7 -92,-2.4 -2,-0.4 2,-0.3 -0.992 14.0 113.2-145.7 152.0 4.4 -1.3 -0.9 100 100 A G E -AE 6 113A 0 13,-2.0 13,-2.9 -2,-0.3 2,-0.3 -0.983 42.6-101.2 171.5-175.0 5.9 -3.7 1.6 101 101 A a E -AE 5 112A 0 -96,-1.4 -96,-2.3 -2,-0.3 2,-0.4 -0.944 11.9-148.7-137.9 155.2 8.9 -5.4 3.2 102 102 A D E -AE 4 111A 17 9,-2.6 8,-2.9 -2,-0.3 9,-1.2 -0.950 12.5-164.4-120.8 142.0 10.7 -8.7 3.2 103 103 A V E -AE 3 109A 0 -100,-2.7 -100,-1.3 -2,-0.4 6,-0.2 -0.898 21.0-117.8-121.7 155.5 12.6 -10.2 6.1 104 104 A G > - 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