==== 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 IMMUNE SYSTEM 17-DEC-09 3L3K . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-44 ALPH . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.THEODOSSIS,L.K.ELY,J.ROSSJOHN . 384 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 64.8 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 . 135 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 23 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 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 . 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 . 3 5 3 2 0 4 0 2 3 1 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 2 2 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 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 69 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.2 1.5 25.3 30.4 2 2 A S - 0 0 67 104,-0.1 2,-0.3 103,-0.0 102,-0.2 -0.455 360.0-160.1 -84.5 159.9 5.3 25.0 29.7 3 3 A H E -A 103 0A 23 100,-2.3 100,-3.0 -2,-0.1 2,-0.3 -0.951 9.7-165.5-143.2 158.2 6.8 21.9 28.1 4 4 A S E -A 102 0A 26 -2,-0.3 25,-2.4 98,-0.3 2,-0.4 -0.977 9.2-155.6-142.1 152.4 10.1 20.0 27.7 5 5 A M E +AB 101 28A 0 96,-2.2 96,-1.1 -2,-0.3 2,-0.4 -0.999 21.0 179.2-126.8 129.7 11.7 17.3 25.5 6 6 A R E -AB 100 27A 38 21,-2.2 21,-3.0 -2,-0.4 2,-0.4 -0.991 18.0-161.0-131.9 140.9 14.6 15.3 26.8 7 7 A Y E -AB 99 26A 0 92,-2.8 92,-2.0 -2,-0.4 2,-0.5 -0.955 13.5-157.6-112.9 139.6 16.8 12.4 25.5 8 8 A F E -AB 98 25A 22 17,-2.7 17,-1.5 -2,-0.4 2,-0.4 -0.964 4.1-164.1-123.3 115.8 18.8 10.4 28.0 9 9 A Y E -AB 97 24A 0 88,-2.7 88,-1.7 -2,-0.5 2,-0.4 -0.795 6.7-177.3 -96.8 138.2 21.9 8.4 26.9 10 10 A T E -AB 96 23A 5 13,-2.1 13,-2.2 -2,-0.4 2,-0.6 -0.912 0.7-178.8-133.5 110.6 23.4 5.7 29.1 11 11 A A E -AB 95 22A 2 84,-3.1 84,-2.6 -2,-0.4 2,-0.5 -0.945 9.7-175.0-108.6 117.1 26.6 4.0 27.8 12 12 A M E -AB 94 21A 10 9,-2.7 9,-2.3 -2,-0.6 82,-0.2 -0.945 14.3-148.4-122.2 118.1 27.9 1.3 30.1 13 13 A S - 0 0 17 80,-2.7 6,-0.1 -2,-0.5 80,-0.0 -0.490 12.8-177.2 -78.2 152.5 31.1 -0.7 29.7 14 14 A R > - 0 0 29 4,-0.5 3,-2.6 -2,-0.2 78,-0.1 -0.498 15.9-150.3-152.7 72.4 31.2 -4.3 31.0 15 15 A P T 3 S+ 0 0 56 0, 0.0 4,-0.1 0, 0.0 77,-0.1 -0.172 85.1 15.6 -53.9 133.2 34.7 -5.9 30.5 16 16 A G T 3 S+ 0 0 89 2,-0.1 3,-0.1 1,-0.0 74,-0.0 0.261 115.9 77.0 86.5 -10.7 34.5 -9.7 30.0 17 17 A R S < S- 0 0 142 -3,-2.6 2,-0.0 1,-0.5 -1,-0.0 -0.119 105.1 -94.9-124.2 34.1 30.8 -9.4 29.2 18 18 A G - 0 0 54 2,-0.0 -4,-0.5 3,-0.0 -1,-0.5 -0.224 68.6 -19.5 86.3-174.4 30.9 -8.1 25.7 19 19 A E S S- 0 0 107 1,-0.1 -7,-0.1 -6,-0.1 56,-0.0 -0.262 84.0 -78.4 -68.7 152.6 30.7 -4.6 24.1 20 20 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.191 45.5-119.5 -56.3 140.7 29.3 -1.6 26.1 21 21 A R E -B 12 0A 74 -9,-2.3 -9,-2.7 -3,-0.1 2,-0.5 -0.663 24.4-161.4 -84.0 132.7 25.5 -1.3 26.3 22 22 A F E -B 11 0A 2 -2,-0.4 16,-1.8 -11,-0.2 2,-0.4 -0.969 10.3-179.8-120.9 119.6 23.9 1.9 24.9 23 23 A I E -BC 10 37A 15 -13,-2.2 -13,-2.1 -2,-0.5 2,-0.4 -0.956 6.4-171.9-121.9 135.9 20.4 2.9 25.9 24 24 A T E +BC 9 36A 0 12,-2.2 12,-2.4 -2,-0.4 2,-0.4 -0.994 4.5 178.3-125.8 130.1 18.4 5.9 24.7 25 25 A V E -BC 8 35A 2 -17,-1.5 -17,-2.7 -2,-0.4 2,-0.4 -0.991 11.8-155.2-127.2 142.2 15.1 7.1 26.2 26 26 A G E -BC 7 34A 0 8,-2.3 7,-2.0 -2,-0.4 8,-1.0 -0.921 10.1-168.7-117.5 143.3 13.1 10.1 25.1 27 27 A Y E -BC 6 32A 27 -21,-3.0 -21,-2.2 -2,-0.4 2,-0.5 -0.973 22.5-159.2-131.7 143.3 10.6 12.1 27.1 28 28 A V E > S-BC 5 31A 0 3,-2.5 3,-2.3 -2,-0.4 -23,-0.2 -0.992 82.6 -48.3-113.1 117.6 8.0 14.8 26.6 29 29 A D T 3 S- 0 0 28 -25,-2.4 -23,-0.1 -2,-0.5 -26,-0.1 -0.414 124.7 -23.9 50.5-117.9 7.5 16.3 30.0 30 30 A D T 3 S+ 0 0 64 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.029 117.4 101.4-108.4 26.3 7.1 13.2 32.2 31 31 A T E < -C 28 0A 26 -3,-2.3 -3,-2.5 148,-0.0 2,-0.4 -0.953 65.9-137.8-117.2 123.7 5.9 10.9 29.4 32 32 A L E +C 27 0A 36 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.649 31.6 161.4 -78.8 127.8 8.1 8.3 27.7 33 33 A F E + 0 0 0 -7,-2.0 15,-2.1 -2,-0.4 16,-0.7 0.632 56.9 31.9-121.5 -23.2 7.7 8.2 24.0 34 34 A V E -CD 26 47A 0 -8,-1.0 -8,-2.3 13,-0.2 2,-0.3 -0.986 56.3-176.2-143.1 152.3 10.7 6.6 22.5 35 35 A R E -CD 25 46A 59 11,-1.5 11,-2.9 -2,-0.3 2,-0.3 -0.998 6.2-177.4-149.1 142.4 13.3 3.9 23.4 36 36 A F E +C 24 0A 2 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.4 -0.988 3.0 178.0-142.3 138.2 16.4 2.2 22.1 37 37 A D E > -C 23 0A 37 7,-0.3 3,-1.7 -2,-0.3 -14,-0.2 -0.962 22.2-153.9-142.4 120.5 18.5 -0.6 23.6 38 38 A S T 3 S+ 0 0 20 -16,-1.8 -15,-0.1 -2,-0.4 -1,-0.1 0.619 97.1 61.7 -69.3 -13.4 21.6 -2.1 21.9 39 39 A D T 3 S+ 0 0 71 -17,-0.2 -1,-0.3 3,-0.1 2,-0.1 0.372 80.8 111.6 -92.6 2.2 21.0 -5.4 23.7 40 40 A A S < S- 0 0 31 -3,-1.7 -4,-0.0 1,-0.1 0, 0.0 -0.398 81.2-115.1 -71.5 154.4 17.6 -5.9 22.0 41 41 A T S S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.935 113.3 18.2 -55.6 -52.7 17.2 -8.7 19.4 42 42 A S S S- 0 0 88 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 -0.815 94.0-143.0-120.8 87.1 16.7 -6.2 16.6 43 43 A P + 0 0 32 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.316 45.1 124.9 -60.3 117.5 18.0 -2.9 18.0 44 44 A R - 0 0 102 -7,-0.2 -7,-0.3 -2,-0.2 2,-0.3 -0.968 66.5 -75.2-161.1 165.6 15.9 0.0 16.8 45 45 A K - 0 0 3 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.562 51.2-162.0 -68.2 125.7 13.9 3.0 18.0 46 46 A E E -D 35 0A 70 -11,-2.9 -11,-1.5 -2,-0.3 2,-0.1 -0.895 17.6-115.6-115.7 141.9 10.6 1.8 19.5 47 47 A P E +D 34 0A 44 0, 0.0 -13,-0.2 0, 0.0 -14,-0.1 -0.466 28.6 173.1 -71.2 145.6 7.4 3.7 20.2 48 48 A R + 0 0 100 -15,-2.1 -14,-0.2 1,-0.2 -16,-0.1 0.201 67.4 50.3-134.4 7.0 6.3 4.1 23.8 49 49 A A S >> S- 0 0 5 -16,-0.7 3,-1.5 1,-0.1 4,-0.6 -0.988 78.4-127.2-148.5 141.4 3.3 6.5 23.3 50 50 A P G >4 S+ 0 0 101 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.835 105.6 60.6 -60.5 -34.8 0.4 6.3 20.8 51 51 A W G 34 S+ 0 0 11 1,-0.2 4,-0.2 2,-0.2 123,-0.1 0.490 100.9 53.9 -75.3 -5.3 1.0 9.8 19.4 52 52 A I G X4 S+ 0 0 0 -3,-1.5 3,-0.8 2,-0.1 -1,-0.2 0.577 90.1 75.7 -99.1 -15.0 4.5 8.9 18.2 53 53 A E T << S+ 0 0 126 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.1 0.753 82.1 71.0 -65.2 -26.2 3.3 5.9 16.2 54 54 A Q T 3 S+ 0 0 118 -4,-0.4 -1,-0.2 2,-0.0 -2,-0.1 0.858 73.2 107.1 -56.9 -41.0 1.9 8.3 13.6 55 55 A E S < S- 0 0 32 -3,-0.8 5,-0.1 -4,-0.2 -3,-0.0 -0.066 75.5-109.8 -49.5 136.8 5.4 9.2 12.4 56 56 A G > - 0 0 36 1,-0.1 4,-1.3 3,-0.1 3,-0.3 0.066 27.9 -98.1 -64.5 174.3 6.4 7.7 9.0 57 57 A P H > S+ 0 0 104 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.794 121.1 58.7 -65.6 -30.6 8.9 5.0 8.2 58 58 A E H > S+ 0 0 165 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.873 102.0 54.6 -66.3 -39.6 11.6 7.5 7.2 59 59 A Y H > S+ 0 0 17 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.912 110.0 46.4 -56.9 -46.9 11.4 9.1 10.7 60 60 A W H X S+ 0 0 31 -4,-1.3 4,-1.7 2,-0.2 -15,-0.4 0.814 111.2 51.7 -69.9 -32.8 12.0 5.7 12.3 61 61 A D H X S+ 0 0 94 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.929 111.8 45.8 -67.2 -48.1 14.9 4.9 10.0 62 62 A R H X S+ 0 0 103 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 113.6 49.6 -59.8 -47.4 16.7 8.2 10.7 63 63 A E H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.846 112.6 46.8 -63.0 -39.1 16.1 7.8 14.5 64 64 A T H X S+ 0 0 8 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.927 110.1 52.9 -67.5 -47.5 17.5 4.2 14.6 65 65 A Q H X S+ 0 0 110 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.861 107.4 52.5 -56.8 -39.8 20.5 5.1 12.5 66 66 A I H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.902 113.0 44.9 -61.0 -42.8 21.3 7.9 14.9 67 67 A S H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.865 111.9 50.4 -71.1 -40.6 21.1 5.4 17.8 68 68 A K H X S+ 0 0 93 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.896 114.9 44.2 -63.6 -42.3 23.2 2.7 16.0 69 69 A T H X S+ 0 0 67 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.883 112.2 52.5 -69.5 -40.3 25.9 5.2 15.2 70 70 A N H X S+ 0 0 2 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.858 101.8 60.6 -63.1 -36.7 25.8 6.7 18.8 71 71 A T H X S+ 0 0 8 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.906 111.1 40.5 -53.5 -44.1 26.2 3.1 20.1 72 72 A Q H X S+ 0 0 118 -4,-1.2 4,-1.7 2,-0.2 3,-0.2 0.894 115.3 50.8 -71.0 -42.9 29.6 3.1 18.3 73 73 A T H X S+ 0 0 30 -4,-2.4 4,-2.2 1,-0.2 313,-0.3 0.901 109.4 49.3 -64.3 -43.6 30.5 6.6 19.2 74 74 A Y H X S+ 0 0 6 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.681 106.5 56.5 -75.3 -17.9 29.8 6.2 22.9 75 75 A R H X S+ 0 0 37 -4,-0.7 4,-1.7 -5,-0.3 -1,-0.2 0.889 108.8 47.0 -72.4 -42.6 31.9 3.0 22.9 76 76 A E H X S+ 0 0 83 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.889 110.2 54.9 -60.6 -41.9 34.8 5.1 21.5 77 77 A N H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.884 105.3 50.9 -58.8 -44.1 34.0 7.7 24.2 78 78 A L H X S+ 0 0 6 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.873 112.0 47.6 -62.9 -39.6 34.3 5.2 27.0 79 79 A R H X S+ 0 0 114 -4,-1.7 4,-1.2 2,-0.2 3,-0.4 0.925 112.6 49.5 -63.1 -46.6 37.7 4.1 25.6 80 80 A T H X S+ 0 0 3 -4,-2.8 4,-1.9 1,-0.2 3,-0.4 0.896 106.7 55.0 -59.4 -43.3 38.7 7.8 25.3 81 81 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.777 100.6 61.0 -63.4 -28.7 37.6 8.5 29.0 82 82 A L H <>S+ 0 0 28 -4,-1.1 5,-2.6 -3,-0.4 4,-0.2 0.898 107.3 43.4 -65.2 -42.4 39.9 5.7 30.2 83 83 A R H ><5S+ 0 0 150 -4,-1.2 3,-1.0 -3,-0.4 -2,-0.2 0.901 109.9 57.4 -68.0 -41.8 43.0 7.4 28.8 84 84 A Y H 3<5S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 118.1 31.6 -60.4 -32.5 41.8 10.8 30.2 85 85 A Y T 3<5S- 0 0 66 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.243 108.6-119.1-110.9 10.4 41.6 9.5 33.7 86 86 A N T < 5 + 0 0 150 -3,-1.0 2,-0.2 -4,-0.2 -3,-0.2 0.848 59.5 156.4 55.5 41.1 44.5 7.0 33.4 87 87 A Q < - 0 0 67 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.627 40.5-113.6 -99.3 155.0 42.2 4.0 34.2 88 88 A S > - 0 0 81 -2,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.302 22.5-116.3 -81.0 168.7 42.6 0.3 33.3 89 89 A E T 3 S+ 0 0 167 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.240 101.2 78.8 -89.2 13.9 40.4 -1.7 30.9 90 90 A A T 3 S+ 0 0 82 2,-0.1 -1,-0.2 -75,-0.1 2,-0.2 0.685 78.2 77.3 -95.6 -23.2 39.3 -4.0 33.7 91 91 A G S < S- 0 0 30 -3,-0.6 2,-0.4 -77,-0.1 -77,-0.0 -0.515 77.8-116.2 -93.2 158.7 36.6 -1.8 35.4 92 92 A S - 0 0 66 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 -0.766 36.0-177.9 -92.6 135.8 33.0 -0.9 34.4 93 93 A H - 0 0 23 -2,-0.4 -80,-2.7 2,-0.0 2,-0.4 -0.947 15.7-146.2-136.9 155.0 32.2 2.7 33.6 94 94 A I E -A 12 0A 3 -2,-0.3 25,-3.2 -82,-0.2 2,-0.5 -0.978 5.3-168.5-128.7 122.2 29.2 4.8 32.6 95 95 A I E -AE 11 118A 0 -84,-2.6 -84,-3.1 -2,-0.4 2,-0.4 -0.934 16.9-169.4-100.6 130.8 28.9 7.8 30.3 96 96 A Q E -AE 10 117A 0 21,-2.2 21,-2.3 -2,-0.5 2,-0.4 -0.956 7.3-165.5-121.3 141.3 25.5 9.6 30.6 97 97 A R E -AE 9 116A 12 -88,-1.7 -88,-2.7 -2,-0.4 2,-0.4 -0.984 5.0-175.3-128.0 142.2 24.1 12.3 28.3 98 98 A M E +AE 8 115A 12 17,-2.6 17,-2.4 -2,-0.4 2,-0.3 -0.972 21.0 152.8-138.4 110.2 21.1 14.6 29.0 99 99 A Y E +AE 7 114A 1 -92,-2.0 -92,-2.8 -2,-0.4 2,-0.3 -0.993 8.8 96.1-145.6 153.4 19.9 16.9 26.3 100 100 A G E -AE 6 113A 0 13,-1.7 13,-2.8 -2,-0.3 2,-0.3 -0.971 50.1 -85.1 159.1-169.6 16.8 18.7 25.0 101 101 A a E -AE 5 112A 0 -96,-1.1 -96,-2.2 -2,-0.3 2,-0.4 -0.943 16.3-142.9-135.1 149.1 14.8 21.9 25.0 102 102 A D E -AE 4 111A 32 9,-2.5 8,-3.5 -2,-0.3 9,-0.9 -0.925 19.8-161.6-108.5 138.3 12.1 23.7 27.0 103 103 A V E -AE 3 109A 1 -100,-3.0 -100,-2.3 -2,-0.4 6,-0.2 -0.925 12.2-128.4-120.5 146.7 9.3 25.7 25.4 104 104 A G > - 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