==== 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 12-MAY-08 3D3V . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.Y.BORBULEVYCH,J.R.CLEMENS,B.M.BAKER . 829 5 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 287 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 9 1.1 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 . 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 . 86 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 7.5 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+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 1 0 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 5 13 10 4 4 6 3 3 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 1 3 3 3 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 71 0, 0.0 106,-0.1 0, 0.0 263,-0.0 0.000 360.0 360.0 360.0-129.7 28.4 -7.7 24.8 2 2 A S - 0 0 74 103,-0.0 2,-0.3 104,-0.0 102,-0.2 -0.004 360.0-172.7 -62.1 158.3 29.5 -8.2 21.2 3 3 A H E -A 103 0A 23 100,-2.0 100,-2.5 26,-0.1 2,-0.3 -0.915 4.6-167.0-140.6 166.5 30.9 -11.2 19.5 4 4 A S E -A 102 0A 11 -2,-0.3 25,-2.3 98,-0.2 2,-0.4 -0.986 17.4-151.1-153.8 160.7 32.4 -11.8 16.1 5 5 A M E +AB 101 28A 0 96,-1.9 96,-2.6 -2,-0.3 2,-0.3 -0.988 25.2 172.8-130.3 132.7 33.5 -14.4 13.6 6 6 A R E -AB 100 27A 72 21,-1.8 21,-2.8 -2,-0.4 2,-0.4 -0.990 19.2-154.7-144.5 138.4 36.3 -13.6 11.2 7 7 A Y E -AB 99 26A 0 92,-3.2 92,-1.4 -2,-0.3 2,-0.4 -0.982 9.7-159.9-114.1 129.0 38.2 -15.7 8.7 8 8 A F E -AB 98 25A 21 17,-2.0 17,-1.6 -2,-0.4 2,-0.4 -0.923 7.9-172.4-112.5 134.7 41.7 -14.6 7.6 9 9 A F E -AB 97 24A 0 88,-2.2 88,-1.9 -2,-0.4 2,-0.4 -0.972 2.8-174.3-129.1 129.2 43.3 -16.0 4.4 10 10 A T E -AB 96 23A 2 13,-2.8 13,-2.7 -2,-0.4 2,-0.4 -0.990 3.5-179.5-133.2 126.7 46.8 -15.5 3.2 11 11 A S E -AB 95 22A 2 84,-3.1 84,-3.4 -2,-0.4 2,-0.4 -0.994 4.5-177.1-124.0 126.8 48.3 -16.5 -0.1 12 12 A V E -AB 94 21A 4 9,-1.4 9,-2.2 -2,-0.4 82,-0.2 -0.972 20.9-130.9-128.1 128.6 51.9 -15.9 -1.0 13 13 A S - 0 0 11 80,-2.5 6,-0.1 -2,-0.4 80,-0.0 -0.563 9.3-153.9 -88.8 149.4 53.5 -16.7 -4.4 14 14 A R > - 0 0 54 4,-0.5 3,-2.2 -2,-0.2 78,-0.1 -0.707 11.6-149.4-122.6 78.6 56.8 -18.6 -4.6 15 15 A P T 3 S+ 0 0 48 0, 0.0 75,-0.1 0, 0.0 77,-0.1 -0.182 84.2 1.8 -51.6 128.2 58.7 -17.8 -7.9 16 16 A G T 3 S+ 0 0 90 73,-0.1 74,-0.1 2,-0.1 73,-0.0 0.215 120.9 80.0 79.4 -13.6 60.7 -20.8 -9.1 17 17 A R S < S- 0 0 167 -3,-2.2 2,-0.2 1,-0.2 -1,-0.1 -0.124 92.7-125.2-122.8 30.6 59.4 -22.9 -6.2 18 18 A G + 0 0 57 -5,-0.0 -4,-0.5 2,-0.0 -1,-0.2 -0.393 66.7 31.1 85.2-132.3 56.0 -23.9 -7.5 19 19 A E S S- 0 0 109 -2,-0.2 56,-0.0 -6,-0.1 -6,-0.0 -0.528 79.3-108.0 -80.0 138.9 52.6 -23.5 -5.9 20 20 A P - 0 0 25 0, 0.0 -7,-0.2 0, 0.0 2,-0.2 -0.101 34.9-107.5 -51.2 154.9 51.8 -20.5 -3.6 21 21 A R E -B 12 0A 60 -9,-2.2 -9,-1.4 16,-0.0 2,-0.4 -0.594 34.7-166.7 -82.6 151.0 51.4 -21.0 0.1 22 22 A F E +B 11 0A 3 -2,-0.2 16,-2.4 -11,-0.2 2,-0.4 -0.931 10.8 174.9-141.0 122.0 47.9 -20.7 1.4 23 23 A I E -BC 10 37A 6 -13,-2.7 -13,-2.8 -2,-0.4 2,-0.4 -0.984 2.9-179.1-122.6 136.4 46.9 -20.5 5.0 24 24 A A E -BC 9 36A 0 12,-3.2 12,-2.3 -2,-0.4 2,-0.3 -0.956 4.1-178.7-127.7 153.0 43.4 -19.9 6.2 25 25 A V E -BC 8 35A 1 -17,-1.6 -17,-2.0 -2,-0.4 2,-0.5 -0.988 15.8-142.1-155.1 142.2 42.4 -19.6 9.8 26 26 A G E -BC 7 34A 0 8,-2.7 7,-3.9 -2,-0.3 8,-0.9 -0.955 16.7-173.7-117.8 129.2 39.0 -19.1 11.6 27 27 A Y E -BC 6 32A 33 -21,-2.8 -21,-1.8 -2,-0.5 2,-0.4 -0.870 17.9-168.0-117.7 150.0 38.4 -17.0 14.7 28 28 A V E > S-BC 5 31A 0 3,-1.8 3,-2.1 -2,-0.3 -23,-0.2 -0.951 83.4 -37.2-130.8 123.4 35.4 -16.5 16.9 29 29 A D T 3 S- 0 0 17 -25,-2.3 -23,-0.1 -2,-0.4 -26,-0.1 -0.382 125.9 -33.0 47.2-125.7 36.3 -13.4 19.0 30 30 A D T 3 S+ 0 0 53 -3,-0.1 2,-0.5 149,-0.1 -1,-0.2 -0.098 115.6 106.3-109.9 34.0 40.0 -13.9 19.6 31 31 A T E < -C 28 0A 24 -3,-2.1 -3,-1.8 148,-0.0 2,-0.2 -0.968 66.1-137.4-116.2 115.0 39.9 -17.7 19.7 32 32 A Q E +C 27 0A 45 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.532 29.3 169.4 -63.8 130.6 41.3 -19.6 16.7 33 33 A F E + 0 0 0 -7,-3.9 15,-2.7 1,-0.4 16,-0.9 0.686 56.3 15.5-117.6 -30.9 38.9 -22.4 15.9 34 34 A V E -CD 26 47A 0 -8,-0.9 -8,-2.7 13,-0.3 -1,-0.4 -0.970 58.7-175.0-136.2 158.7 39.9 -23.9 12.5 35 35 A R E -CD 25 46A 36 11,-2.1 11,-2.8 -2,-0.3 2,-0.3 -0.988 11.6-171.2-143.1 158.4 42.9 -23.8 10.2 36 36 A F E -C 24 0A 4 -12,-2.3 -12,-3.2 -2,-0.3 2,-0.4 -0.943 10.2-178.9-141.4 132.7 44.0 -25.0 6.8 37 37 A D E > -C 23 0A 13 7,-0.3 3,-0.9 -2,-0.3 6,-0.3 -1.000 28.1-140.6-131.2 130.1 47.7 -24.7 5.7 38 38 A S T 3 S+ 0 0 27 -16,-2.4 -15,-0.1 -2,-0.4 -1,-0.0 0.440 100.8 53.9 -59.7 -5.6 48.7 -25.8 2.2 39 39 A D T 3 S+ 0 0 73 -17,-0.2 -1,-0.2 0, 0.0 -16,-0.1 0.648 85.9 93.2-110.6 -26.5 52.0 -27.1 3.8 40 40 A A S < S- 0 0 28 -3,-0.9 3,-0.2 4,-0.1 -3,-0.0 -0.311 82.9-106.5 -78.8 162.3 50.8 -29.4 6.5 41 41 A A S S+ 0 0 104 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.886 103.8 51.4 -47.4 -64.7 50.2 -33.1 6.2 42 42 A S S S- 0 0 64 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.759 77.8-148.1 -56.6 -49.2 46.4 -33.6 6.1 43 43 A Q + 0 0 86 1,-0.3 2,-0.2 -6,-0.3 -1,-0.1 0.768 63.4 104.5 74.9 29.8 45.3 -31.2 3.4 44 44 A R S S- 0 0 93 -7,-0.1 2,-0.5 -9,-0.1 -1,-0.3 -0.775 87.3 -89.5-118.5 175.0 42.0 -30.7 5.2 45 45 A M - 0 0 4 15,-0.4 -9,-0.2 -2,-0.2 19,-0.2 -0.813 54.4-159.7 -76.6 126.8 40.4 -28.0 7.3 46 46 A E E -D 35 0A 35 -11,-2.8 -11,-2.1 -2,-0.5 2,-0.1 -0.859 16.0-108.0-112.1 148.6 41.5 -29.1 10.8 47 47 A P E +D 34 0A 34 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.380 29.5 176.5 -69.8 152.6 40.0 -28.2 14.2 48 48 A R + 0 0 105 -15,-2.7 -14,-0.2 1,-0.2 -16,-0.1 0.371 65.5 51.7-134.1 -0.4 41.8 -25.8 16.6 49 49 A A S > S- 0 0 8 -16,-0.9 3,-1.0 -18,-0.1 4,-0.4 -0.962 80.9-122.8-135.0 149.0 39.4 -25.5 19.5 50 50 A P G > S+ 0 0 101 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.751 103.5 63.4 -64.5 -23.7 37.7 -28.3 21.5 51 51 A W G 3 S+ 0 0 8 1,-0.2 125,-0.1 2,-0.1 123,-0.0 0.192 97.3 55.9 -90.6 17.7 34.1 -27.3 20.8 52 52 A I G X S+ 0 0 0 -3,-1.0 3,-1.4 2,-0.1 -1,-0.2 0.536 84.4 74.1-128.1 -12.6 34.3 -27.8 17.1 53 53 A E T < S+ 0 0 122 -3,-0.6 -2,-0.1 -4,-0.4 7,-0.1 0.693 83.7 74.5 -76.8 -16.1 35.3 -31.4 16.8 54 54 A Q T 3 S+ 0 0 128 -4,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.487 75.4 98.7 -71.4 -5.0 31.7 -32.2 17.8 55 55 A E S < S- 0 0 6 -3,-1.4 -3,-0.1 1,-0.1 5,-0.1 -0.667 80.9-114.8 -76.7 144.0 30.8 -31.1 14.3 56 56 A G >> - 0 0 20 -2,-0.3 4,-1.4 1,-0.1 3,-1.1 -0.048 27.5 -87.4 -79.9 177.9 30.3 -34.2 12.1 57 57 A P H 3> S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.790 123.8 60.0 -47.1 -41.6 32.1 -35.6 9.0 58 58 A E H 3> S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.780 102.7 52.0 -66.0 -29.9 29.9 -33.5 6.7 59 59 A Y H <> S+ 0 0 9 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.916 112.3 45.7 -67.0 -44.7 31.2 -30.3 8.3 60 60 A W H X S+ 0 0 28 -4,-1.4 4,-2.4 1,-0.2 -15,-0.4 0.949 112.4 48.8 -71.1 -39.3 34.7 -31.3 7.8 61 61 A D H X S+ 0 0 83 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.879 115.1 45.3 -62.0 -42.8 34.3 -32.4 4.2 62 62 A G H X S+ 0 0 9 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.975 111.5 49.8 -68.9 -56.6 32.6 -29.2 3.2 63 63 A E H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.892 111.1 50.8 -41.2 -55.0 34.9 -26.8 5.0 64 64 A T H X S+ 0 0 6 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.889 111.1 49.7 -51.3 -45.3 37.9 -28.6 3.3 65 65 A R H X S+ 0 0 71 -4,-1.7 4,-1.0 -3,-0.2 -2,-0.2 0.937 113.2 43.6 -69.6 -42.3 36.2 -28.2 -0.1 66 66 A K H >X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 3,-0.9 0.932 109.4 57.2 -69.5 -35.4 35.4 -24.5 0.2 67 67 A V H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.783 104.8 54.3 -64.7 -23.7 38.8 -23.8 1.7 68 68 A K H 3X S+ 0 0 86 -4,-1.3 4,-2.0 -5,-0.2 -1,-0.3 0.814 106.8 48.6 -75.2 -27.6 40.2 -25.3 -1.5 69 69 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 3,-0.5 0.984 114.5 47.3 -64.9 -50.3 40.7 -18.2 -6.3 74 74 A H H 3X S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.813 106.8 54.7 -50.6 -47.6 43.8 -17.0 -4.6 75 75 A R H 3X S+ 0 0 116 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.876 116.0 39.9 -55.1 -40.3 46.2 -19.1 -6.7 76 76 A V H S+ 0 0 69 -4,-1.6 5,-2.6 -5,-0.2 -1,-0.2 0.951 110.9 44.7 -60.2 -44.5 50.7 -10.0 -11.7 83 83 A G H ><5S+ 0 0 55 -4,-1.4 3,-1.2 3,-0.2 -2,-0.3 0.904 112.7 50.5 -61.2 -44.8 49.0 -9.4 -15.0 84 84 A Y H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.862 117.8 37.4 -68.4 -39.1 47.2 -6.3 -13.9 85 85 A Y T 3<5S- 0 0 64 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.247 105.2-126.0 -96.4 12.9 50.2 -4.6 -12.5 86 86 A N T < 5 + 0 0 150 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.886 50.5 171.4 40.4 50.0 52.6 -5.9 -15.3 87 87 A Q < - 0 0 56 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.0 -0.660 35.9 -99.8 -93.4 150.7 54.8 -7.3 -12.6 88 88 A S > - 0 0 77 -2,-0.3 3,-0.7 1,-0.1 -1,-0.1 -0.206 21.8-130.5 -55.4 150.0 57.8 -9.5 -13.2 89 89 A E T 3 S+ 0 0 150 1,-0.2 -1,-0.1 3,-0.0 -73,-0.1 0.640 97.6 73.5 -78.6 -17.1 57.5 -13.2 -12.6 90 90 A A T 3 S+ 0 0 85 -75,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.198 81.4 91.6 -84.5 17.2 60.6 -13.4 -10.4 91 91 A G S < S- 0 0 20 -3,-0.7 2,-0.4 -77,-0.0 -78,-0.0 -0.927 70.6-131.2-125.4 138.6 58.9 -11.7 -7.4 92 92 A S - 0 0 42 -2,-0.4 2,-0.3 -78,-0.1 -78,-0.1 -0.726 30.1-172.2 -88.7 130.8 57.1 -13.1 -4.5 93 93 A H - 0 0 25 -2,-0.4 -80,-2.5 -80,-0.0 2,-0.4 -0.936 13.2-137.4-132.6 145.9 53.8 -11.4 -3.8 94 94 A T E -A 12 0A 3 -2,-0.3 25,-3.4 -82,-0.2 2,-0.4 -0.817 12.4-172.5-110.7 137.2 51.2 -11.6 -1.0 95 95 A V E -AE 11 118A 0 -84,-3.4 -84,-3.1 -2,-0.4 2,-0.3 -0.995 9.1-179.7-122.4 132.2 47.4 -11.7 -1.1 96 96 A Q E +AE 10 117A 0 21,-2.6 21,-2.9 -2,-0.4 2,-0.3 -0.973 4.6 179.9-126.5 150.2 45.3 -11.5 2.0 97 97 A R E -AE 9 116A 4 -88,-1.9 -88,-2.2 -2,-0.3 2,-0.4 -0.981 1.5-178.0-143.4 135.0 41.5 -11.6 2.5 98 98 A M E +AE 8 115A 12 17,-1.8 17,-2.2 -2,-0.3 2,-0.3 -0.983 7.1 166.5-133.5 129.4 39.4 -11.3 5.6 99 99 A Y E +AE 7 114A 0 -92,-1.4 -92,-3.2 -2,-0.4 2,-0.3 -0.895 16.9 121.6-127.0 163.7 35.7 -11.6 5.9 100 100 A G E -AE 6 113A 0 13,-1.6 13,-1.7 -2,-0.3 2,-0.3 -0.975 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