==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 21-JUN-99 1QSF . COMPND 2 MOLECULE: MHC CLASS I HLA-A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.H.DING,B.M.BAKER,D.N.GARBOCZI,W.E.BIDDISON,D.C.WILEY . 826 5 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 515 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 274 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 80 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 3 1 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 15 5 3 3 9 4 1 3 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 . 1 3 2 3 3 1 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 G 0 0 66 0, 0.0 106,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 64.0 84.2 -3.5 24.7 2 2 A S - 0 0 75 104,-0.1 2,-0.3 105,-0.0 102,-0.2 -0.386 360.0-175.1 -81.2 159.7 83.4 -3.7 21.0 3 3 A H E -A 103 0A 21 100,-1.6 100,-2.6 -2,-0.1 2,-0.3 -0.942 2.3-170.0-148.4 166.5 81.7 -0.9 19.0 4 4 A S E -A 102 0A 14 -2,-0.3 25,-1.7 98,-0.2 2,-0.4 -0.996 18.8-136.7-160.7 160.7 80.4 -0.4 15.5 5 5 A M E +AB 101 28A 0 96,-1.6 96,-1.9 -2,-0.3 2,-0.4 -0.988 25.7 178.9-125.1 129.6 79.1 2.1 12.9 6 6 A R E -AB 100 27A 41 21,-1.7 21,-3.0 -2,-0.4 2,-0.5 -0.979 14.8-158.6-133.2 143.9 76.1 1.3 10.8 7 7 A Y E -AB 99 26A 2 92,-2.1 92,-1.3 -2,-0.4 2,-0.5 -0.991 9.3-162.2-124.8 127.0 74.3 3.2 8.1 8 8 A F E -AB 98 25A 25 17,-2.8 17,-2.3 -2,-0.5 2,-0.5 -0.945 6.2-174.2-115.5 125.0 70.7 2.3 7.2 9 9 A F E -AB 97 24A 1 88,-2.9 88,-2.4 -2,-0.5 2,-0.4 -0.966 2.9-178.9-121.4 125.5 69.1 3.5 4.0 10 10 A T E -AB 96 23A 2 13,-2.3 13,-2.3 -2,-0.5 2,-0.4 -0.964 0.1-178.8-122.7 137.7 65.4 2.9 3.0 11 11 A S E -AB 95 22A 2 84,-2.2 84,-2.7 -2,-0.4 2,-0.4 -0.993 5.7-167.6-137.8 126.8 63.9 4.1 -0.3 12 12 A V E -AB 94 21A 9 9,-1.4 9,-2.4 -2,-0.4 2,-0.3 -0.971 18.3-129.2-122.6 132.6 60.2 3.5 -1.1 13 13 A S - 0 0 21 80,-2.2 6,-0.1 -2,-0.4 -2,-0.0 -0.591 11.2-153.1 -80.3 136.1 58.6 4.0 -4.6 14 14 A R > - 0 0 89 4,-0.5 3,-2.3 -2,-0.3 4,-0.1 -0.718 13.4-146.5-113.4 79.7 55.5 6.1 -4.7 15 15 A P T 3 S- 0 0 44 0, 0.0 75,-0.1 0, 0.0 77,-0.1 -0.184 83.5 -11.1 -44.5 121.5 53.4 4.9 -7.8 16 16 A G T 3 S+ 0 0 90 73,-0.1 3,-0.1 1,-0.1 74,-0.1 0.353 119.6 90.3 64.6 -4.2 51.7 7.9 -9.2 17 17 A R S < S- 0 0 213 -3,-2.3 -1,-0.1 1,-0.3 2,-0.1 -0.154 92.8-105.7-114.3 37.2 52.6 10.1 -6.2 18 18 A G S S+ 0 0 60 -4,-0.1 -4,-0.5 -5,-0.0 -1,-0.3 -0.385 72.5 7.0 83.3-156.6 56.0 11.6 -7.3 19 19 A E S S- 0 0 109 -2,-0.1 2,-0.0 1,-0.1 -7,-0.0 -0.213 78.2-103.9 -65.0 152.1 59.5 10.8 -6.2 20 20 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.299 37.6 -98.1 -73.0 166.7 60.3 7.9 -3.8 21 21 A R E -B 12 0A 65 -9,-2.4 -9,-1.4 17,-0.0 2,-0.4 -0.598 31.4-165.8 -87.3 143.4 61.1 8.3 -0.1 22 22 A F E +B 11 0A 2 -2,-0.3 16,-2.1 -11,-0.2 2,-0.4 -0.874 9.4 174.9-136.3 104.9 64.6 8.3 1.2 23 23 A I E -BC 10 37A 3 -13,-2.3 -13,-2.3 -2,-0.4 2,-0.4 -0.864 5.2-176.2-106.2 140.4 65.4 7.9 4.8 24 24 A A E +BC 9 36A 1 12,-2.5 12,-1.8 -2,-0.4 2,-0.4 -0.986 3.3 176.8-141.0 124.8 69.0 7.6 6.1 25 25 A V E -BC 8 35A 1 -17,-2.3 -17,-2.8 -2,-0.4 2,-0.4 -0.954 12.1-157.8-128.4 147.4 70.1 6.9 9.6 26 26 A G E -BC 7 34A 0 8,-1.8 7,-2.9 -2,-0.4 8,-1.2 -0.983 14.0-173.4-130.3 121.8 73.6 6.5 11.0 27 27 A Y E -BC 6 32A 28 -21,-3.0 -21,-1.7 -2,-0.4 2,-0.4 -0.696 24.7-154.2-114.1 165.8 74.3 4.7 14.3 28 28 A V E > S-BC 5 31A 0 3,-3.4 3,-1.2 -2,-0.2 2,-0.3 -0.914 80.7 -46.0-136.5 98.3 77.2 4.0 16.6 29 29 A D T 3 S- 0 0 31 -25,-1.7 -23,-0.1 -2,-0.4 -26,-0.1 -0.556 125.4 -20.1 71.1-128.0 76.3 0.8 18.4 30 30 A D T 3 S+ 0 0 62 -2,-0.3 2,-0.4 149,-0.1 -1,-0.2 0.146 122.7 91.8 -97.2 19.5 72.7 1.1 19.6 31 31 A T E < -C 28 0A 19 -3,-1.2 -3,-3.4 148,-0.0 2,-0.3 -0.954 65.2-143.5-121.5 137.2 72.8 4.9 19.3 32 32 A Q E +C 27 0A 35 -2,-0.4 -5,-0.3 -5,-0.3 3,-0.1 -0.709 22.9 166.8 -95.3 142.9 71.8 7.1 16.4 33 33 A F E + 0 0 0 -7,-2.9 15,-2.0 -2,-0.3 16,-1.0 0.532 60.2 30.4-131.8 -15.1 73.7 10.3 15.5 34 34 A V E +CD 26 47A 2 -8,-1.2 -8,-1.8 13,-0.3 2,-0.3 -0.961 54.2 176.6-144.6 162.4 72.6 11.3 12.0 35 35 A R E -CD 25 46A 37 11,-1.6 11,-2.4 -2,-0.3 2,-0.3 -0.985 12.2-165.1-161.0 159.3 69.6 11.2 9.7 36 36 A F E -C 24 0A 5 -12,-1.8 -12,-2.5 -2,-0.3 2,-0.4 -0.953 8.7-179.0-150.1 133.1 68.3 12.3 6.3 37 37 A D E > -C 23 0A 12 -2,-0.3 3,-2.4 7,-0.3 6,-0.2 -0.893 24.8-152.1-142.5 105.6 64.7 12.3 5.2 38 38 A S T 3 S+ 0 0 28 -16,-2.1 -1,-0.1 -2,-0.4 -15,-0.1 0.765 104.7 55.0 -38.7 -33.5 63.6 13.4 1.7 39 39 A D T 3 S+ 0 0 76 -17,-0.2 -1,-0.3 -3,-0.1 -16,-0.1 0.751 92.1 91.3 -76.1 -29.7 60.3 14.3 3.5 40 40 A A S < S- 0 0 25 -3,-2.4 -4,-0.0 1,-0.1 0, 0.0 0.102 79.1-121.7 -56.1-179.5 62.0 16.5 6.1 41 41 A A S S+ 0 0 97 1,-0.1 -1,-0.1 3,-0.0 -3,-0.0 0.909 99.0 53.5 -93.7 -56.7 62.5 20.3 5.6 42 42 A S S S- 0 0 55 1,-0.1 3,-0.1 2,-0.1 -1,-0.1 0.867 80.7-154.5 -50.8 -44.0 66.2 21.1 5.8 43 43 A Q + 0 0 73 1,-0.3 2,-0.3 -6,-0.2 -1,-0.1 0.730 58.7 106.3 70.6 22.4 67.0 18.6 3.2 44 44 A R S S- 0 0 96 -7,-0.1 2,-0.6 -9,-0.0 -1,-0.3 -0.807 88.0 -84.3-124.6 165.9 70.5 18.3 4.6 45 45 A M - 0 0 7 15,-0.4 -9,-0.2 -2,-0.3 19,-0.2 -0.643 55.4-156.4 -73.9 118.7 72.2 15.7 6.7 46 46 A E E -D 35 0A 49 -11,-2.4 -11,-1.6 -2,-0.6 7,-0.0 -0.787 12.3-119.3-106.0 145.0 71.1 16.4 10.3 47 47 A P E +D 34 0A 46 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.265 24.5 176.4 -71.2 165.0 72.7 15.6 13.6 48 48 A R + 0 0 125 -15,-2.0 -14,-0.2 1,-0.4 -16,-0.1 0.293 68.9 57.7-148.6 -5.0 70.7 13.5 16.2 49 49 A A S > S- 0 0 7 -16,-1.0 3,-1.6 -18,-0.1 4,-0.4 -0.988 82.3-130.3-130.1 135.2 73.3 13.1 18.9 50 50 A P G > S+ 0 0 89 0, 0.0 3,-0.9 0, 0.0 4,-0.2 0.781 102.6 62.9 -60.4 -26.6 74.7 16.2 20.5 51 51 A W G 3 S+ 0 0 22 1,-0.3 3,-0.1 2,-0.2 125,-0.1 0.476 98.1 57.1 -78.5 -0.7 78.4 15.2 20.1 52 52 A I G X S+ 0 0 0 -3,-1.6 3,-1.1 1,-0.1 -1,-0.3 0.548 88.7 75.5-100.6 -11.4 78.0 15.2 16.4 53 53 A E T < S+ 0 0 123 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.1 0.612 83.4 70.3 -72.3 -11.8 76.9 18.8 16.6 54 54 A Q T 3 S+ 0 0 122 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.665 74.6 95.5 -82.2 -17.8 80.6 19.6 17.1 55 55 A E S < S- 0 0 14 -3,-1.1 -3,-0.0 1,-0.1 5,-0.0 -0.388 74.4-123.3 -68.9 154.7 81.8 18.8 13.6 56 56 A G > - 0 0 30 -2,-0.0 4,-1.7 1,-0.0 3,-0.5 -0.053 30.1 -76.8 -91.1-164.9 82.0 21.8 11.3 57 57 A P H > S+ 0 0 101 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.886 124.3 60.8 -60.0 -41.5 80.6 23.1 7.9 58 58 A E H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.888 105.9 48.3 -54.5 -42.0 83.0 20.9 6.0 59 59 A Y H > S+ 0 0 6 -3,-0.5 4,-3.3 2,-0.2 5,-0.2 0.962 115.2 39.9 -64.3 -57.3 81.4 17.8 7.6 60 60 A W H X S+ 0 0 28 -4,-1.7 4,-2.6 2,-0.2 -15,-0.4 0.839 114.0 54.2 -64.1 -34.1 77.8 18.6 7.1 61 61 A D H X S+ 0 0 84 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.945 114.9 41.6 -67.2 -44.0 78.3 20.0 3.6 62 62 A G H X S+ 0 0 5 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.973 115.1 48.3 -66.5 -54.0 80.1 16.8 2.6 63 63 A E H X S+ 0 0 2 -4,-3.3 4,-1.9 1,-0.2 5,-0.2 0.893 110.5 52.4 -55.7 -40.4 77.7 14.4 4.3 64 64 A T H X S+ 0 0 9 -4,-2.6 4,-1.5 -5,-0.2 3,-0.2 0.968 109.8 50.2 -59.9 -47.6 74.7 16.2 2.8 65 65 A R H X S+ 0 0 67 -4,-2.0 4,-1.3 1,-0.2 3,-0.3 0.910 110.6 47.7 -54.8 -49.8 76.2 15.8 -0.6 66 66 A K H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.792 108.7 53.9 -65.2 -30.9 76.9 12.1 -0.3 67 67 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.813 106.9 51.5 -77.4 -24.3 73.5 11.3 1.0 68 68 A K H X S+ 0 0 81 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.791 109.5 50.8 -78.9 -25.0 72.0 13.0 -2.0 69 69 A A H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.958 110.2 49.2 -69.1 -54.0 74.2 10.9 -4.1 70 70 A H H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.829 113.3 48.3 -52.7 -37.4 73.0 7.8 -2.2 71 71 A S H X S+ 0 0 30 -4,-1.7 4,-3.5 2,-0.2 -1,-0.2 0.956 109.6 51.9 -69.1 -48.6 69.5 9.0 -2.8 72 72 A Q H X S+ 0 0 56 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.897 111.3 45.4 -55.0 -49.4 70.2 9.5 -6.5 73 73 A T H X S+ 0 0 6 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.958 116.4 47.0 -60.9 -51.0 71.6 6.0 -7.0 74 74 A H H X S+ 0 0 1 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.889 105.6 57.9 -57.0 -41.2 68.7 4.5 -5.1 75 75 A R H X S+ 0 0 112 -4,-3.5 4,-0.7 1,-0.2 -1,-0.2 0.932 113.3 42.6 -54.3 -43.2 66.2 6.7 -7.0 76 76 A V H >X S+ 0 0 63 -4,-1.9 4,-2.5 -5,-0.2 3,-1.2 0.930 105.3 61.0 -67.7 -49.2 67.6 5.0 -10.0 77 77 A D H 3X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.3 5,-0.3 0.784 98.2 59.5 -49.7 -35.1 67.8 1.4 -8.6 78 78 A L H 3X S+ 0 0 16 -4,-1.7 4,-2.1 -3,-0.2 -1,-0.3 0.876 111.6 39.8 -63.9 -38.5 64.0 1.4 -8.1 79 79 A G H X S+ 0 0 37 -4,-2.5 4,-2.3 2,-0.2 3,-0.8 0.980 114.5 44.9 -53.9 -61.0 66.3 -0.4 -12.8 81 81 A L H 3X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.3 5,-0.3 0.923 106.2 57.8 -51.1 -54.1 64.9 -3.1 -10.6 82 82 A R H 3<>S+ 0 0 84 -4,-2.1 5,-2.0 -5,-0.3 -1,-0.3 0.855 110.2 47.4 -49.4 -34.0 61.4 -2.6 -11.7 83 83 A G H X<5S+ 0 0 47 -4,-1.5 3,-2.2 -3,-0.8 -2,-0.2 0.971 105.4 57.8 -69.2 -55.0 62.7 -3.3 -15.2 84 84 A Y H 3<5S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 117.9 31.6 -38.3 -57.7 64.6 -6.4 -14.1 85 85 A Y T 3<5S- 0 0 78 -4,-2.0 -1,-0.3 54,-0.0 -2,-0.2 0.352 104.8-129.0 -87.2 5.7 61.5 -8.2 -12.8 86 86 A N T < 5 + 0 0 144 -3,-2.2 -3,-0.2 -5,-0.3 2,-0.1 0.889 48.2 166.9 44.2 51.8 59.2 -6.5 -15.3 87 87 A Q < - 0 0 55 -5,-2.0 2,-0.1 -6,-0.2 -1,-0.1 -0.459 37.9 -93.8 -89.9 165.4 56.8 -5.4 -12.5 88 88 A S > - 0 0 76 -2,-0.1 3,-0.8 1,-0.1 -1,-0.1 -0.459 17.5-131.5 -82.0 153.5 54.0 -2.9 -13.0 89 89 A E T 3 S+ 0 0 146 1,-0.2 -73,-0.1 -2,-0.1 -1,-0.1 0.664 98.1 78.8 -73.1 -16.7 54.4 0.8 -12.3 90 90 A A T 3 S+ 0 0 84 -75,-0.1 -1,-0.2 -74,-0.1 2,-0.2 0.794 86.0 66.0 -64.5 -31.2 51.2 0.6 -10.3 91 91 A G S < S- 0 0 30 -3,-0.8 2,-0.4 -77,-0.1 -4,-0.0 -0.544 77.1-121.7 -98.6 161.6 52.7 -0.9 -7.2 92 92 A S - 0 0 46 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 -0.793 26.2-170.6-100.9 140.0 55.2 0.3 -4.6 93 93 A H - 0 0 19 -2,-0.4 -80,-2.2 183,-0.0 2,-0.4 -0.861 12.3-133.2-126.6 160.5 58.5 -1.4 -3.8 94 94 A T E -A 12 0A 3 -2,-0.3 25,-2.6 -82,-0.2 2,-0.4 -0.930 12.4-170.5-122.6 139.0 61.2 -1.1 -1.2 95 95 A V E -AE 11 118A 0 -84,-2.7 -84,-2.2 -2,-0.4 2,-0.4 -0.960 8.0-175.5-123.4 141.7 64.9 -0.9 -1.3 96 96 A Q E -AE 10 117A 0 21,-2.2 21,-2.8 -2,-0.4 2,-0.4 -0.999 3.9-173.0-139.9 140.6 67.2 -1.1 1.7 97 97 A R E +AE 9 116A 4 -88,-2.4 -88,-2.9 -2,-0.4 2,-0.4 -0.997 3.7 178.6-136.3 140.6 70.9 -0.8 2.1 98 98 A M E +AE 8 115A 17 17,-2.2 17,-2.0 -2,-0.4 2,-0.3 -0.994 8.9 155.6-144.7 131.6 73.2 -1.3 5.1 99 99 A Y E +AE 7 114A 0 -92,-1.3 -92,-2.1 -2,-0.4 2,-0.3 -0.981 14.3 113.1-151.3 156.1 76.9 -1.0 5.5 100 100 A G E -AE 6 113A 0 13,-0.9 13,-2.0 -2,-0.3 2,-0.3 -0.976 43.5 -94.4 171.7-159.4 79.4 -0.4 8.3 101 101 A a E -AE 5 112A 0 -96,-1.9 -96,-1.6 -2,-0.3 2,-0.4 -0.967 11.4-141.8-149.6 163.3 82.1 -1.8 10.5 102 102 A D E -AE 4 111A 22 9,-1.6 9,-1.2 -2,-0.3 8,-1.1 -0.965 14.7-167.5-125.9 141.0 83.0 -3.5 13.8 103 103 A V E -AE 3 109A 0 -100,-2.6 -100,-1.6 -2,-0.4 6,-0.2 -0.963 16.1-131.2-127.0 148.6 86.0 -2.9 15.9 104 104 A G > - 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