==== 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 3L3J . 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) . 19202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 65.1 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 . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 14.8 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 . 2 7 2 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 62 0, 0.0 2,-0.3 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0-171.9 1.7 25.3 30.7 2 2 A S - 0 0 70 102,-0.1 2,-0.3 104,-0.1 102,-0.2 -0.703 360.0-160.1 -94.3 156.1 5.4 25.1 29.9 3 3 A H E -A 103 0A 21 100,-2.4 100,-3.3 -2,-0.3 2,-0.3 -0.902 10.9-166.5-136.3 162.0 6.9 22.1 28.3 4 4 A S E -A 102 0A 25 -2,-0.3 25,-2.5 98,-0.3 2,-0.4 -0.989 9.8-154.7-145.9 153.9 10.2 20.3 27.8 5 5 A M E -AB 101 28A 0 96,-2.0 96,-1.8 -2,-0.3 2,-0.3 -0.998 20.4-179.6-126.5 133.4 11.8 17.5 25.7 6 6 A R E -AB 100 27A 31 21,-2.6 21,-2.8 -2,-0.4 2,-0.4 -0.978 18.8-158.5-134.5 142.7 14.8 15.5 26.9 7 7 A Y E -AB 99 26A 0 92,-2.3 92,-1.8 -2,-0.3 2,-0.5 -0.992 13.6-163.0-115.7 130.6 16.9 12.7 25.6 8 8 A F E -AB 98 25A 24 17,-2.8 17,-1.3 -2,-0.4 2,-0.3 -0.943 3.9-168.4-119.7 110.4 18.9 10.6 28.2 9 9 A Y E -AB 97 24A 0 88,-2.3 88,-1.9 -2,-0.5 2,-0.4 -0.747 4.5-174.1 -90.4 140.2 21.9 8.4 27.1 10 10 A T E -AB 96 23A 5 13,-1.8 13,-1.8 -2,-0.3 2,-0.5 -0.955 1.1-175.6-132.3 118.8 23.5 5.8 29.3 11 11 A A E -AB 95 22A 1 84,-3.3 84,-2.5 -2,-0.4 2,-0.5 -0.973 7.1-173.6-113.9 122.1 26.6 4.0 28.0 12 12 A M E -AB 94 21A 12 9,-2.3 9,-2.1 -2,-0.5 82,-0.2 -0.927 13.8-149.0-128.6 109.7 28.0 1.3 30.3 13 13 A S - 0 0 14 80,-1.9 6,-0.1 -2,-0.5 62,-0.0 -0.410 13.5-177.7 -71.9 151.7 31.2 -0.6 29.7 14 14 A R > - 0 0 29 4,-0.5 3,-2.3 78,-0.1 78,-0.1 -0.459 16.9-149.7-151.4 66.8 31.3 -4.2 31.0 15 15 A P T 3 S+ 0 0 61 0, 0.0 4,-0.1 0, 0.0 77,-0.1 -0.114 84.2 20.0 -52.2 131.2 34.7 -5.8 30.4 16 16 A G T 3 S+ 0 0 86 2,-0.2 3,-0.1 0, 0.0 74,-0.0 0.344 115.6 72.7 93.9 -4.9 34.4 -9.6 29.9 17 17 A R S < S- 0 0 147 -3,-2.3 2,-0.1 1,-0.5 0, 0.0 -0.055 105.6 -90.3-134.7 30.8 30.7 -9.3 28.9 18 18 A G - 0 0 52 3,-0.0 -1,-0.5 2,-0.0 -4,-0.5 -0.451 69.5 -20.2 98.3-165.8 30.8 -7.8 25.5 19 19 A E S S- 0 0 106 1,-0.2 -7,-0.1 -2,-0.1 56,-0.0 -0.403 83.7 -76.6 -84.2 154.3 30.6 -4.3 24.1 20 20 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.164 48.7-118.2 -54.2 140.6 29.3 -1.3 26.2 21 21 A R E -B 12 0A 79 -9,-2.1 -9,-2.3 -3,-0.1 2,-0.5 -0.659 26.7-159.7 -78.8 129.0 25.5 -1.2 26.5 22 22 A F E +B 11 0A 0 -2,-0.4 16,-3.0 -11,-0.2 2,-0.4 -0.959 11.5 179.5-114.7 129.6 24.0 1.9 25.0 23 23 A I E -BC 10 37A 16 -13,-1.8 -13,-1.8 -2,-0.5 2,-0.4 -0.979 5.9-172.1-130.4 132.7 20.5 3.0 26.0 24 24 A T E +BC 9 36A 0 12,-3.6 12,-2.4 -2,-0.4 2,-0.4 -0.996 3.4 179.9-129.1 133.4 18.5 6.1 24.9 25 25 A V E -BC 8 35A 1 -17,-1.3 -17,-2.8 -2,-0.4 2,-0.4 -0.989 11.0-157.1-130.0 141.3 15.2 7.3 26.3 26 26 A G E -BC 7 34A 0 8,-2.3 7,-3.0 -2,-0.4 8,-1.3 -0.976 12.7-171.7-121.5 131.0 13.2 10.4 25.1 27 27 A Y E -BC 6 32A 26 -21,-2.8 -21,-2.6 -2,-0.4 2,-0.6 -0.988 22.1-158.1-125.8 133.3 10.7 12.2 27.3 28 28 A V E > S-BC 5 31A 0 3,-2.1 3,-2.6 -2,-0.4 -23,-0.2 -0.973 80.8 -48.1 -97.7 117.8 8.2 15.0 26.7 29 29 A D T 3 S- 0 0 31 -25,-2.5 -23,-0.1 -2,-0.6 -26,-0.1 -0.363 125.3 -22.3 52.5-123.7 7.7 16.4 30.3 30 30 A D T 3 S+ 0 0 68 149,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.017 117.3 100.0-104.8 27.0 7.1 13.2 32.4 31 31 A T E < -C 28 0A 27 -3,-2.6 -3,-2.1 148,-0.0 2,-0.4 -0.961 67.6-137.9-110.9 125.0 6.0 10.9 29.5 32 32 A L E +C 27 0A 40 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.678 29.4 168.4 -73.7 125.7 8.4 8.5 28.0 33 33 A F E + 0 0 0 -7,-3.0 15,-2.5 -2,-0.4 16,-0.7 0.669 55.9 16.6-114.6 -22.0 7.9 8.6 24.2 34 34 A V E -CD 26 47A 0 -8,-1.3 -8,-2.3 13,-0.3 -1,-0.3 -0.990 56.6-170.9-157.5 151.8 10.8 6.7 22.6 35 35 A R E -CD 25 46A 59 11,-1.6 11,-2.8 -2,-0.3 2,-0.3 -0.994 7.8-173.8-150.2 149.1 13.5 4.2 23.5 36 36 A F E +C 24 0A 2 -12,-2.4 -12,-3.6 -2,-0.3 2,-0.4 -0.981 7.3 179.0-145.6 136.5 16.7 2.6 22.0 37 37 A D E > -C 23 0A 30 -2,-0.3 3,-1.8 7,-0.3 -14,-0.2 -0.968 24.6-147.3-145.5 119.0 18.8 -0.2 23.6 38 38 A S T 3 S+ 0 0 20 -16,-3.0 -15,-0.1 -2,-0.4 -1,-0.1 0.602 98.5 58.6 -69.6 -9.9 21.8 -1.8 22.1 39 39 A D T 3 S+ 0 0 64 -17,-0.2 -1,-0.3 3,-0.1 -16,-0.1 0.576 77.8 116.3 -89.8 -10.7 21.1 -5.2 23.7 40 40 A A S < S- 0 0 34 -3,-1.8 -4,-0.0 1,-0.1 0, 0.0 -0.197 82.6-111.3 -57.8 150.2 17.6 -5.5 22.0 41 41 A T S S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.928 116.6 19.0 -48.4 -49.5 17.3 -8.5 19.6 42 42 A S S S- 0 0 85 2,-0.1 -1,-0.3 -5,-0.0 2,-0.2 -0.835 93.6-137.3-121.8 96.5 17.1 -5.9 16.9 43 43 A P + 0 0 45 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.287 48.3 133.8 -58.9 113.0 18.5 -2.6 18.2 44 44 A R - 0 0 95 -7,-0.2 -7,-0.3 -2,-0.2 2,-0.2 -0.984 63.0 -88.0-153.2 155.4 16.1 0.2 17.0 45 45 A K - 0 0 0 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.493 50.3-163.7 -56.3 127.7 14.3 3.3 18.1 46 46 A E E -D 35 0A 60 -11,-2.8 -11,-1.6 -2,-0.2 2,-0.1 -0.965 18.8-115.3-127.1 137.9 10.9 2.1 19.4 47 47 A P E +D 34 0A 48 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.422 27.6 175.5 -71.0 142.6 7.7 4.0 20.1 48 48 A R + 0 0 108 -15,-2.5 -14,-0.2 1,-0.2 -16,-0.1 0.220 66.5 50.6-128.1 7.5 6.6 4.2 23.8 49 49 A A S > S- 0 0 6 -16,-0.7 3,-1.1 1,-0.1 4,-0.5 -0.989 79.1-126.2-145.6 144.1 3.5 6.5 23.4 50 50 A P G > S+ 0 0 100 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.886 105.1 60.4 -60.8 -38.9 0.6 6.3 21.0 51 51 A W G 3 S+ 0 0 13 1,-0.3 3,-0.2 2,-0.2 125,-0.1 0.625 101.7 53.3 -69.8 -15.2 1.0 9.8 19.6 52 52 A I G X S+ 0 0 0 -3,-1.1 3,-1.2 1,-0.1 -1,-0.3 0.546 90.2 78.3 -89.8 -9.5 4.5 9.1 18.3 53 53 A E T < S+ 0 0 129 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.1 0.788 81.0 67.7 -66.7 -27.3 3.3 6.0 16.4 54 54 A Q T 3 S+ 0 0 128 -4,-0.5 2,-0.4 -3,-0.2 -1,-0.3 0.202 74.1 114.6 -82.0 12.5 1.9 8.2 13.6 55 55 A E S < S- 0 0 25 -3,-1.2 5,-0.1 1,-0.1 -3,-0.0 -0.743 73.2-107.2 -83.4 132.8 5.4 9.2 12.5 56 56 A G >> - 0 0 40 -2,-0.4 4,-1.0 1,-0.1 3,-0.6 -0.003 27.9-100.6 -58.4 162.1 6.4 8.0 9.0 57 57 A P H 3> S+ 0 0 107 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.806 120.3 59.3 -51.7 -39.4 8.8 5.2 8.2 58 58 A E H 3> S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.917 98.3 59.8 -58.4 -45.4 11.7 7.7 7.4 59 59 A Y H <> S+ 0 0 7 -3,-0.6 4,-2.8 1,-0.2 5,-0.2 0.925 106.5 46.1 -44.2 -55.3 11.5 9.1 10.9 60 60 A W H X S+ 0 0 22 -4,-1.0 4,-1.5 1,-0.2 -15,-0.4 0.772 113.2 48.4 -66.4 -31.2 12.3 5.7 12.5 61 61 A D H X S+ 0 0 99 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.859 114.0 45.9 -76.3 -41.1 15.2 4.9 10.1 62 62 A R H X S+ 0 0 97 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.934 116.1 46.1 -63.6 -46.1 16.8 8.3 10.6 63 63 A E H X S+ 0 0 1 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.818 111.8 50.5 -70.6 -33.8 16.3 8.1 14.4 64 64 A T H X S+ 0 0 9 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.932 109.3 52.2 -67.8 -43.4 17.6 4.6 14.6 65 65 A Q H X S+ 0 0 102 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.927 106.6 52.2 -58.1 -49.8 20.7 5.6 12.6 66 66 A I H X S+ 0 0 22 -4,-2.3 4,-2.5 1,-0.2 317,-0.2 0.932 113.2 46.7 -47.4 -48.9 21.5 8.5 14.9 67 67 A S H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.803 111.5 48.9 -70.2 -32.7 21.3 5.9 17.8 68 68 A K H X S+ 0 0 99 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.919 113.5 47.2 -72.4 -41.6 23.4 3.3 16.1 69 69 A T H X S+ 0 0 48 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.923 112.1 51.1 -58.3 -45.5 26.1 5.9 15.3 70 70 A N H X S+ 0 0 0 -4,-2.5 4,-3.4 -5,-0.3 5,-0.3 0.872 101.3 61.6 -63.8 -37.9 25.9 7.2 18.9 71 71 A T H X S+ 0 0 6 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.930 109.9 41.7 -49.3 -51.9 26.3 3.6 20.2 72 72 A Q H X S+ 0 0 114 -4,-1.5 4,-2.4 2,-0.2 3,-0.3 0.950 115.4 49.0 -61.6 -50.8 29.8 3.6 18.6 73 73 A T H X S+ 0 0 15 -4,-2.3 4,-3.0 1,-0.2 313,-0.2 0.937 111.9 48.5 -57.0 -51.3 30.7 7.2 19.5 74 74 A Y H X S+ 0 0 2 -4,-3.4 4,-1.4 1,-0.3 -1,-0.2 0.740 111.5 50.0 -65.2 -26.7 29.7 6.6 23.2 75 75 A R H X S+ 0 0 33 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.3 0.810 110.3 49.9 -72.8 -37.3 31.7 3.4 23.2 76 76 A E H X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.2 -2,-0.3 0.911 109.1 56.0 -62.0 -42.5 34.6 5.4 21.7 77 77 A N H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.852 102.5 51.6 -59.2 -42.0 33.9 7.8 24.5 78 78 A L H X S+ 0 0 3 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.892 109.8 50.4 -65.3 -37.1 34.3 5.3 27.4 79 79 A R H X S+ 0 0 129 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.904 111.3 49.5 -66.4 -42.3 37.7 4.2 25.9 80 80 A T H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.948 105.6 54.3 -57.0 -53.4 38.7 7.9 25.8 81 81 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 6,-0.3 0.856 105.8 57.7 -54.1 -31.3 37.6 8.5 29.5 82 82 A L H <>S+ 0 0 19 -4,-1.5 5,-2.0 -5,-0.2 4,-0.3 0.943 111.0 39.1 -63.1 -48.8 39.9 5.6 30.3 83 83 A R H ><5S+ 0 0 146 -4,-1.6 3,-2.0 -3,-0.2 -2,-0.2 0.973 115.2 52.7 -61.5 -55.2 43.0 7.3 28.7 84 84 A Y H 3<5S+ 0 0 46 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.737 117.9 37.3 -54.6 -30.0 42.0 10.8 30.0 85 85 A Y T 3<5S- 0 0 47 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.252 105.7-123.4-107.8 10.3 41.7 9.5 33.6 86 86 A N T < 5 + 0 0 151 -3,-2.0 -3,-0.2 -4,-0.3 -4,-0.1 0.836 59.7 151.2 52.3 36.0 44.6 7.0 33.5 87 87 A Q < - 0 0 78 -5,-2.0 2,-0.2 -6,-0.3 -1,-0.1 -0.406 44.3-103.8 -92.1 171.5 42.3 4.2 34.6 88 88 A S > - 0 0 76 -2,-0.1 3,-0.8 1,-0.1 -1,-0.1 -0.588 17.9-122.5 -95.7 164.2 42.5 0.4 33.7 89 89 A E T 3 S+ 0 0 170 1,-0.2 -1,-0.1 -2,-0.2 -7,-0.0 0.305 99.9 76.0 -84.0 7.2 40.5 -1.6 31.2 90 90 A A T 3 S+ 0 0 82 2,-0.1 2,-0.2 -76,-0.0 -1,-0.2 0.655 79.6 81.6 -95.0 -16.7 39.3 -4.0 33.9 91 91 A G S < S- 0 0 28 -3,-0.8 2,-0.4 -77,-0.1 -77,-0.0 -0.607 75.7-123.1 -96.1 149.0 36.6 -1.7 35.5 92 92 A S - 0 0 59 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 -0.746 34.9-176.3 -87.0 131.1 33.1 -1.0 34.4 93 93 A H - 0 0 22 -2,-0.4 -80,-1.9 2,-0.0 2,-0.4 -0.828 15.2-141.1-125.2 164.8 32.3 2.7 33.8 94 94 A I E -A 12 0A 3 -2,-0.3 25,-3.1 -82,-0.2 2,-0.4 -0.995 9.0-171.0-129.9 131.2 29.3 4.8 32.9 95 95 A I E -AE 11 118A 0 -84,-2.5 -84,-3.3 -2,-0.4 2,-0.3 -0.991 14.9-173.7-114.1 134.7 28.9 7.8 30.6 96 96 A Q E -AE 10 117A 0 21,-2.2 21,-2.2 -2,-0.4 2,-0.3 -0.908 7.4-167.1-124.6 150.3 25.5 9.6 30.6 97 97 A R E -AE 9 116A 10 -88,-1.9 -88,-2.3 -2,-0.3 2,-0.4 -0.995 7.0-176.8-137.0 133.8 24.1 12.4 28.6 98 98 A M E +AE 8 115A 15 17,-2.0 17,-2.2 -2,-0.3 2,-0.3 -0.996 18.5 158.2-123.3 127.9 21.1 14.6 29.0 99 99 A Y E +AE 7 114A 2 -92,-1.8 -92,-2.3 -2,-0.4 2,-0.3 -0.981 15.3 99.6-143.6 154.1 20.3 17.1 26.3 100 100 A G E -AE 6 113A 0 13,-1.6 13,-2.2 -2,-0.3 2,-0.3 -0.991 50.2 -81.0 161.1-169.4 17.1 19.0 25.3 101 101 A a E -AE 5 112A 0 -96,-1.8 -96,-2.0 -2,-0.3 2,-0.4 -0.989 13.6-148.0-140.2 142.4 14.9 22.1 25.4 102 102 A D E -AE 4 111A 31 9,-2.4 8,-3.1 -2,-0.3 9,-1.0 -0.876 20.9-164.5-102.3 138.5 12.4 23.9 27.5 103 103 A V E -AE 3 109A 1 -100,-3.3 -100,-2.4 -2,-0.4 6,-0.2 -0.959 13.5-130.7-124.0 145.4 9.6 25.9 25.9 104 104 A G > - 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