==== 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 1EEY . 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) . 37456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 65.2 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 . 274 35.7 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 . 8 1.0 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 . 45 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 15.0 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 2 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 0 3 6 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 44 0, 0.0 106,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-170.1 -18.4 -13.7 -6.0 2 2 A S - 0 0 80 104,-0.1 2,-0.3 103,-0.1 102,-0.2 -0.351 360.0-170.7 -74.6 157.2 -16.8 -10.6 -4.4 3 3 A H E -A 103 0A 21 100,-2.1 100,-2.6 101,-0.1 2,-0.3 -0.946 7.0-169.0-145.4 162.4 -13.1 -9.9 -4.8 4 4 A S E -A 102 0A 20 -2,-0.3 25,-2.6 98,-0.2 2,-0.4 -0.983 12.0-154.6-152.2 158.8 -10.4 -7.6 -3.5 5 5 A M E +AB 101 28A 0 96,-1.8 96,-1.6 -2,-0.3 2,-0.3 -0.996 24.6 170.7-134.7 128.5 -6.8 -6.4 -4.0 6 6 A R E -AB 100 27A 24 21,-2.1 21,-2.2 -2,-0.4 2,-0.4 -0.997 25.1-147.1-147.8 146.3 -4.7 -5.0 -1.2 7 7 A Y E -AB 99 26A 1 92,-2.6 92,-1.6 -2,-0.3 2,-0.5 -0.906 13.6-159.5-110.0 132.7 -1.2 -4.0 -0.4 8 8 A F E -AB 98 25A 22 17,-2.7 17,-1.9 -2,-0.4 2,-0.4 -0.951 7.8-171.2-114.8 128.4 0.3 -4.4 3.1 9 9 A F E -AB 97 24A 0 88,-2.7 88,-2.1 -2,-0.5 2,-0.5 -0.979 4.6-175.2-125.6 127.8 3.3 -2.3 4.1 10 10 A T E -AB 96 23A 3 13,-2.7 13,-2.5 -2,-0.4 2,-0.4 -0.983 1.2-176.9-124.4 126.8 5.3 -2.8 7.3 11 11 A S E -AB 95 22A 2 84,-2.9 84,-2.3 -2,-0.5 2,-0.4 -0.982 2.0-176.4-123.5 129.7 8.2 -0.5 8.4 12 12 A V E -AB 94 21A 10 9,-2.7 9,-2.8 -2,-0.4 82,-0.2 -0.964 20.1-134.2-132.1 119.4 10.2 -1.1 11.5 13 13 A S - 0 0 18 80,-2.0 6,-0.1 -2,-0.4 62,-0.0 -0.358 10.1-160.5 -70.1 147.7 13.0 1.2 12.7 14 14 A R > - 0 0 52 4,-0.4 3,-2.5 78,-0.1 78,-0.1 -0.678 14.7-148.9-131.4 76.2 16.3 -0.3 13.8 15 15 A P T 3 S- 0 0 29 0, 0.0 75,-0.1 0, 0.0 77,-0.1 -0.198 81.1 -6.1 -48.9 120.9 18.1 2.3 16.1 16 16 A G T 3 S+ 0 0 90 2,-0.2 3,-0.1 1,-0.1 74,-0.0 0.496 118.0 90.7 69.7 2.2 21.8 2.0 15.8 17 17 A R S < S- 0 0 155 -3,-2.5 2,-0.2 1,-0.4 -1,-0.1 0.030 94.8-111.4-115.9 24.1 21.4 -1.1 13.6 18 18 A G S S+ 0 0 60 -4,-0.1 -4,-0.4 2,-0.0 -1,-0.4 -0.548 71.9 15.6 90.3-150.4 21.3 0.7 10.2 19 19 A E S S- 0 0 97 -2,-0.2 2,-0.1 1,-0.1 3,-0.0 -0.185 81.4 -98.8 -63.7 151.7 18.4 1.2 7.8 20 20 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.441 39.8-110.5 -71.1 145.1 14.7 0.6 8.8 21 21 A R E -B 12 0A 70 -9,-2.8 -9,-2.7 -2,-0.1 2,-0.4 -0.613 37.8-171.2 -78.0 134.9 13.2 -2.8 7.8 22 22 A F E +B 11 0A 2 -2,-0.3 16,-2.8 -11,-0.2 2,-0.4 -0.990 8.8 176.0-133.0 127.4 10.6 -2.5 5.1 23 23 A I E -BC 10 37A 17 -13,-2.5 -13,-2.7 -2,-0.4 2,-0.4 -0.991 2.6-178.7-134.9 130.5 8.3 -5.2 3.8 24 24 A A E +BC 9 36A 2 12,-2.3 12,-2.0 -2,-0.4 2,-0.3 -0.967 2.8 176.3-127.4 142.5 5.5 -5.0 1.2 25 25 A V E -BC 8 35A 1 -17,-1.9 -17,-2.7 -2,-0.4 2,-0.4 -0.988 14.4-149.8-143.2 148.3 3.2 -7.7 -0.0 26 26 A G E -BC 7 34A 0 8,-1.8 7,-2.4 -2,-0.3 8,-0.9 -0.940 13.3-171.2-121.3 144.7 0.3 -7.6 -2.4 27 27 A Y E -BC 6 32A 21 -21,-2.2 -21,-2.1 -2,-0.4 2,-0.5 -0.966 21.3-157.0-134.8 149.6 -2.8 -9.9 -2.4 28 28 A V E > S-BC 5 31A 0 3,-2.6 3,-2.6 -2,-0.3 -23,-0.2 -0.992 82.1 -46.6-121.0 114.4 -5.7 -10.6 -4.6 29 29 A D T 3 S- 0 0 24 -25,-2.6 -23,-0.1 -2,-0.5 -26,-0.1 -0.412 125.4 -23.3 57.3-122.8 -8.3 -12.0 -2.3 30 30 A D T 3 S+ 0 0 70 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.192 118.4 95.7-104.4 17.2 -6.4 -14.6 -0.2 31 31 A T E < -C 28 0A 24 -3,-2.6 -3,-2.6 148,-0.0 2,-0.2 -0.930 66.0-143.0-112.2 121.5 -3.6 -15.2 -2.7 32 32 A Q E +C 27 0A 23 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.593 23.5 171.6 -77.4 140.5 -0.3 -13.2 -2.4 33 33 A F E + 0 0 0 -7,-2.4 15,-2.6 1,-0.3 16,-0.8 0.596 56.2 22.0-126.9 -17.6 1.2 -12.3 -5.7 34 34 A V E -CD 26 47A 0 -8,-0.9 -8,-1.8 13,-0.3 -1,-0.3 -0.964 55.3-178.3-145.9 163.9 4.2 -9.9 -5.1 35 35 A R E -CD 25 46A 64 11,-1.6 11,-3.0 -2,-0.3 2,-0.3 -0.985 11.5-162.1-157.5 161.0 6.6 -8.9 -2.4 36 36 A F E -C 24 0A 3 -12,-2.0 -12,-2.3 -2,-0.3 2,-0.5 -0.959 6.5-170.3-148.3 128.8 9.5 -6.6 -1.6 37 37 A D E > -C 23 0A 32 7,-0.3 3,-2.5 -2,-0.3 6,-0.3 -0.952 16.0-154.2-127.3 112.2 11.9 -7.0 1.2 38 38 A S T 3 S+ 0 0 23 -16,-2.8 -1,-0.1 -2,-0.5 -15,-0.1 0.749 99.6 51.0 -52.5 -27.7 14.3 -4.2 2.0 39 39 A D T 3 S+ 0 0 81 -17,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.494 90.2 103.9 -90.9 -3.3 16.8 -6.7 3.5 40 40 A A S < S- 0 0 27 -3,-2.5 3,-0.1 1,-0.1 0, 0.0 -0.367 76.0-123.8 -78.1 159.3 16.7 -9.0 0.4 41 41 A A S S+ 0 0 106 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.850 101.8 56.8 -71.4 -37.6 19.5 -9.1 -2.1 42 42 A S S S- 0 0 56 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.840 80.6-152.8 -65.6 -37.0 17.5 -8.3 -5.3 43 43 A Q + 0 0 78 -6,-0.3 2,-0.3 1,-0.3 -5,-0.1 0.871 57.9 113.4 62.6 36.1 16.1 -5.0 -4.2 44 44 A R S S- 0 0 90 -7,-0.1 -7,-0.3 23,-0.0 -1,-0.3 -0.940 79.8 -97.9-137.2 158.5 13.2 -5.6 -6.5 45 45 A M - 0 0 6 15,-0.5 -9,-0.2 -2,-0.3 19,-0.1 -0.567 51.1-155.2 -69.8 138.6 9.5 -6.3 -6.4 46 46 A E E -D 35 0A 49 -11,-3.0 -11,-1.6 -2,-0.2 2,-0.2 -0.928 13.8-113.7-125.8 149.4 9.2 -10.1 -6.8 47 47 A P E +D 34 0A 45 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.529 27.6 173.0 -77.5 139.6 6.5 -12.5 -8.0 48 48 A R + 0 0 84 -15,-2.6 -14,-0.2 -2,-0.2 -16,-0.1 0.278 65.8 57.1-127.2 4.4 4.8 -14.8 -5.5 49 49 A A S >> S- 0 0 4 -16,-0.8 3,-1.6 1,-0.1 4,-0.7 -0.998 77.9-130.2-136.7 139.8 2.1 -16.3 -7.7 50 50 A P G >4 S+ 0 0 89 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.892 104.9 60.2 -55.3 -42.4 2.6 -18.1 -11.1 51 51 A W G 34 S+ 0 0 10 1,-0.3 3,-0.1 2,-0.2 125,-0.1 0.580 102.5 51.6 -66.0 -10.2 -0.0 -16.0 -12.8 52 52 A I G X4 S+ 0 0 0 -3,-1.6 3,-1.5 1,-0.1 -1,-0.3 0.603 89.0 79.9 -99.9 -13.6 1.9 -12.8 -12.2 53 53 A E T << S+ 0 0 120 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.1 0.721 80.8 68.2 -64.4 -21.7 5.1 -14.1 -13.6 54 54 A Q T 3 S+ 0 0 145 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.646 73.0 106.7 -73.0 -17.7 3.9 -13.5 -17.2 55 55 A E S < S- 0 0 26 -3,-1.5 5,-0.0 1,-0.1 -3,-0.0 -0.395 74.4-121.0 -60.8 141.0 4.0 -9.7 -16.7 56 56 A G >> - 0 0 34 1,-0.1 4,-1.5 3,-0.0 3,-1.0 -0.085 29.3 -87.0 -78.3-178.1 7.0 -8.3 -18.6 57 57 A P H 3> S+ 0 0 100 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.765 123.3 66.9 -60.3 -26.8 10.0 -6.4 -17.4 58 58 A E H 3> S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.905 103.1 46.4 -61.3 -39.9 8.1 -3.1 -17.8 59 59 A Y H <> S+ 0 0 12 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.943 116.1 43.0 -67.7 -48.5 5.8 -4.3 -15.0 60 60 A W H X S+ 0 0 29 -4,-1.5 4,-1.8 2,-0.2 -15,-0.5 0.872 114.8 49.0 -68.1 -37.8 8.6 -5.4 -12.7 61 61 A D H X S+ 0 0 87 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.931 115.4 45.8 -66.1 -45.1 10.8 -2.4 -13.3 62 62 A G H X S+ 0 0 9 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.951 114.8 44.1 -62.4 -51.9 7.9 -0.1 -12.7 63 63 A E H X S+ 0 0 7 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.795 111.5 55.1 -66.0 -28.8 6.6 -1.8 -9.5 64 64 A T H X S+ 0 0 6 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.928 109.9 47.2 -67.7 -44.5 10.2 -2.0 -8.2 65 65 A R H X S+ 0 0 161 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.925 115.1 44.3 -62.5 -47.1 10.5 1.7 -8.6 66 66 A K H X S+ 0 0 29 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.882 111.4 52.6 -69.0 -35.7 7.2 2.6 -7.0 67 67 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.832 107.5 52.6 -69.3 -30.6 7.7 0.2 -4.1 68 68 A K H X S+ 0 0 100 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.849 106.0 54.4 -70.1 -34.0 11.1 1.8 -3.4 69 69 A A H X S+ 0 0 47 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.884 108.1 49.7 -65.0 -38.1 9.3 5.2 -3.3 70 70 A H H X S+ 0 0 1 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.928 107.6 54.5 -63.7 -45.9 7.0 3.7 -0.7 71 71 A S H X S+ 0 0 25 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.917 108.9 47.4 -54.3 -46.9 10.0 2.5 1.2 72 72 A Q H X S+ 0 0 92 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.880 108.5 55.1 -65.4 -38.0 11.5 6.0 1.3 73 73 A T H X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.938 109.7 46.1 -60.5 -46.2 8.2 7.5 2.4 74 74 A H H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.685 107.3 58.2 -71.3 -17.5 7.9 5.2 5.4 75 75 A R H X S+ 0 0 114 -4,-1.0 4,-0.8 -3,-0.3 -1,-0.2 0.827 110.8 42.5 -78.8 -32.8 11.6 5.9 6.3 76 76 A V H X S+ 0 0 64 -4,-1.6 4,-2.1 -3,-0.3 3,-0.3 0.876 110.9 57.7 -76.8 -38.7 10.7 9.6 6.5 77 77 A D H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.885 98.3 59.3 -58.2 -42.8 7.5 8.7 8.4 78 78 A L H X S+ 0 0 15 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.900 109.8 42.9 -54.5 -44.4 9.3 6.9 11.1 79 79 A G H X S+ 0 0 39 -4,-0.8 4,-1.8 -3,-0.3 -1,-0.2 0.882 113.3 51.6 -70.3 -39.8 11.3 10.0 12.0 80 80 A T H X S+ 0 0 33 -4,-2.1 4,-2.7 2,-0.2 3,-0.4 0.972 111.8 45.4 -60.8 -54.9 8.3 12.3 11.7 81 81 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.3 -1,-0.2 0.861 107.8 58.3 -56.4 -38.8 6.1 10.2 14.0 82 82 A R H <>S+ 0 0 84 -4,-1.6 5,-2.5 -5,-0.3 -1,-0.3 0.915 111.8 43.3 -58.2 -39.9 9.1 9.9 16.5 83 83 A G H ><5S+ 0 0 38 -4,-1.8 3,-1.5 -3,-0.4 -2,-0.2 0.910 107.7 57.5 -72.2 -43.7 9.0 13.7 16.5 84 84 A Y H 3<5S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.861 117.4 34.1 -55.1 -40.1 5.2 14.0 16.8 85 85 A Y T 3<5S- 0 0 72 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.201 108.1-122.7-102.2 15.8 5.1 11.9 20.0 86 86 A N T < 5 + 0 0 155 -3,-1.5 2,-0.3 1,-0.1 -3,-0.2 0.924 51.2 169.7 41.3 67.6 8.5 13.2 21.3 87 87 A Q < - 0 0 49 -5,-2.5 -1,-0.1 -6,-0.1 -2,-0.0 -0.759 39.8 -92.2-110.4 156.0 10.0 9.7 21.6 88 88 A S > - 0 0 83 -2,-0.3 3,-0.7 1,-0.1 -1,-0.1 -0.315 25.7-135.0 -61.9 141.9 13.5 8.5 22.2 89 89 A E T 3 S+ 0 0 146 1,-0.2 -1,-0.1 3,-0.0 -7,-0.0 0.353 99.8 67.0 -80.8 10.3 15.6 7.9 19.1 90 90 A A T 3 S+ 0 0 68 -75,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.740 81.6 85.4-100.6 -27.0 16.8 4.7 20.6 91 91 A G S < S- 0 0 31 -3,-0.7 2,-0.4 1,-0.1 -4,-0.0 -0.390 76.8-117.4 -79.7 154.4 13.6 2.7 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-3.3 102 102 A D E -AE 4 111A 16 9,-2.7 8,-3.4 -2,-0.3 9,-1.5 -0.933 13.4-166.4-117.1 142.7 -13.3 -4.4 -3.2 103 103 A V E -AE 3 109A 0 -100,-2.6 -100,-2.1 -2,-0.4 6,-0.2 -0.944 20.6-121.4-125.5 149.2 -15.4 -5.2 -6.2 104 104 A G > - 0 0 7 4,-2.5 3,-1.9 -2,-0.3 -101,-0.1 0.029 44.8 -81.0 -76.2-168.5 -18.8 -7.0 -6.1 105 105 A S T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 -103,-0.1 0.659 134.2 59.8 -68.9 -13.0 -19.7 -10.2 -7.8 106 106 A D T 3 S- 0 0 81 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.218 115.5-118.4 -97.5 12.8 -20.2 -8.0 -10.9 107 107 A W S < S+ 0 0 56 -3,-1.9 2,-0.3 -106,-0.2 -2,-0.1 0.642 71.9 135.4 59.5 15.4 -16.6 -6.9 -10.7 108 108 A R - 0 0 146 1,-0.1 -4,-2.5 2,-0.0 -1,-0.2 -0.738 69.2 -80.5 -96.5 145.3 -17.8 -3.3 -10.2 109 109 A F E +E 103 0A 61 -2,-0.3 -6,-0.3 -6,-0.2 -1,-0.1 -0.119 50.0 167.5 -44.9 121.9 -16.3 -1.0 -7.5 110 110 A L E - 0 0 75 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.798 59.9 -28.1-105.6 -46.7 -17.7 -1.7 -4.1 111 111 A R E -E 102 0A 75 -9,-1.5 -9,-2.7 49,-0.1 -1,-0.4 -0.981 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