==== 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 09-MAY-08 3D39 . 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) . 38921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 538 64.9 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 . 298 35.9 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 85 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 8.0 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 0 0 1 0 1 0 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 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 . 4 10 11 3 5 6 5 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 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 46 0, 0.0 106,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-146.8 28.7 -15.7 -24.9 2 2 A S - 0 0 75 103,-0.1 2,-0.3 104,-0.1 102,-0.2 -0.419 360.0-166.8 -67.2 145.4 29.4 -16.1 -21.2 3 3 A H E -A 103 0A 19 100,-1.8 100,-2.4 101,-0.1 2,-0.3 -0.880 5.6-167.1-129.3 170.0 30.7 -13.1 -19.4 4 4 A S E -A 102 0A 4 -2,-0.3 25,-1.6 98,-0.2 2,-0.4 -0.982 15.5-153.3-148.8 158.5 32.3 -12.5 -16.0 5 5 A M E +AB 101 28A 2 96,-2.0 96,-1.8 -2,-0.3 2,-0.3 -0.985 26.5 174.8-133.3 125.6 33.3 -9.8 -13.6 6 6 A R E -AB 100 27A 71 21,-2.3 21,-3.3 -2,-0.4 2,-0.4 -0.980 19.2-158.5-136.2 145.6 36.2 -10.4 -11.2 7 7 A Y E -AB 99 26A 2 92,-2.5 92,-1.4 -2,-0.3 2,-0.4 -0.967 10.3-160.7-122.7 142.2 38.2 -8.5 -8.7 8 8 A F E -AB 98 25A 25 17,-2.5 17,-2.5 -2,-0.4 2,-0.4 -0.983 6.4-173.4-131.4 132.5 41.6 -9.5 -7.5 9 9 A F E -AB 97 24A 0 88,-2.5 88,-2.3 -2,-0.4 2,-0.4 -0.986 2.7-175.6-132.3 127.9 43.3 -8.4 -4.3 10 10 A T E -AB 96 23A 3 13,-2.8 13,-2.5 -2,-0.4 2,-0.4 -0.990 1.4-179.0-125.5 131.2 46.9 -8.9 -3.2 11 11 A S E -AB 95 22A 1 84,-3.3 84,-3.4 -2,-0.4 2,-0.4 -0.997 2.1-178.4-126.8 132.1 48.3 -7.9 0.1 12 12 A V E -AB 94 21A 9 9,-1.9 9,-2.5 -2,-0.4 82,-0.2 -0.987 22.7-128.8-133.1 123.2 52.0 -8.6 1.1 13 13 A S E - 0 0 20 80,-2.0 6,-0.1 -2,-0.4 62,-0.0 -0.362 10.8-159.0 -72.8 144.7 53.5 -7.7 4.4 14 14 A R E >> - B 0 18A 50 4,-0.8 4,-3.1 78,-0.1 3,-2.1 -0.614 10.8-158.0-124.3 75.8 56.7 -5.7 4.7 15 15 A P T 34 S+ 0 0 34 0, 0.0 75,-0.1 0, 0.0 77,-0.1 -0.250 80.9 2.7 -52.6 129.4 58.3 -6.3 8.2 16 16 A G T 34 S+ 0 0 87 1,-0.1 74,-0.0 2,-0.0 -2,-0.0 0.323 127.9 67.7 74.1 -6.6 60.7 -3.4 9.1 17 17 A R T <4 S- 0 0 175 -3,-2.1 2,-0.3 1,-0.3 -1,-0.1 0.721 103.6-107.8-117.4 -33.5 59.8 -1.6 5.9 18 18 A G E < +B 14 0A 40 -4,-3.1 -4,-0.8 3,-0.0 -1,-0.3 -0.976 58.4 1.3 153.5-153.5 56.1 -0.7 6.7 19 19 A E E S- 0 0 124 -2,-0.3 -7,-0.0 1,-0.1 56,-0.0 -0.392 85.2 -85.8 -66.4 143.6 52.4 -1.2 6.1 20 20 A P E - 0 0 25 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.000 38.2-106.1 -53.0 156.2 51.7 -3.9 3.6 21 21 A R E -B 12 0A 68 -9,-2.5 -9,-1.9 -3,-0.1 2,-0.5 -0.754 37.2-164.8 -81.8 129.1 51.5 -3.5 -0.2 22 22 A F E +B 11 0A 2 -2,-0.5 16,-3.2 -11,-0.2 2,-0.4 -0.974 11.7 174.9-120.1 126.0 48.0 -3.6 -1.4 23 23 A I E -BC 10 37A 8 -13,-2.5 -13,-2.8 -2,-0.5 2,-0.4 -0.992 3.5-177.7-128.7 126.9 47.0 -4.0 -5.0 24 24 A A E -BC 9 36A 0 12,-3.2 12,-2.8 -2,-0.4 2,-0.4 -0.972 1.2-177.2-123.7 141.6 43.5 -4.4 -6.3 25 25 A V E -BC 8 35A 1 -17,-2.5 -17,-2.5 -2,-0.4 2,-0.4 -0.996 11.6-153.0-137.4 132.3 42.4 -5.0 -9.9 26 26 A G E -BC 7 34A 0 8,-1.8 7,-3.6 -2,-0.4 8,-1.1 -0.899 15.0-175.9-106.2 136.9 39.0 -5.3 -11.5 27 27 A Y E -BC 6 32A 26 -21,-3.3 -21,-2.3 -2,-0.4 2,-0.5 -0.915 22.2-161.5-122.5 147.6 38.2 -7.2 -14.8 28 28 A V E > S-BC 5 31A 0 3,-2.1 3,-2.8 -2,-0.3 2,-0.3 -0.992 82.9 -42.9-118.6 122.5 35.3 -7.8 -17.0 29 29 A D T 3 S- 0 0 21 -25,-1.6 -23,-0.1 -2,-0.5 -26,-0.1 -0.406 126.4 -26.4 53.4-111.4 36.1 -10.9 -18.9 30 30 A D T 3 S+ 0 0 58 -2,-0.3 2,-0.6 149,-0.1 -1,-0.3 0.092 116.7 101.2-118.2 21.5 39.8 -10.3 -19.9 31 31 A T E < -C 28 0A 25 -3,-2.8 -3,-2.1 18,-0.0 2,-0.2 -0.927 65.0-143.7-108.4 109.7 39.6 -6.5 -19.8 32 32 A Q E +C 27 0A 38 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.489 23.9 174.5 -58.1 131.1 41.0 -4.9 -16.7 33 33 A F E + 0 0 0 -7,-3.6 15,-2.6 1,-0.3 16,-1.0 0.639 55.8 16.5-118.0 -25.7 38.8 -1.8 -15.9 34 34 A V E -CD 26 47A 0 -8,-1.1 -8,-1.8 13,-0.2 -1,-0.3 -0.951 57.9-170.7-140.8 164.4 40.0 -0.4 -12.6 35 35 A R E -CD 25 46A 28 11,-1.9 11,-2.5 -2,-0.3 2,-0.4 -0.997 11.0-165.6-148.5 156.4 43.0 -0.5 -10.3 36 36 A F E -C 24 0A 4 -12,-2.8 -12,-3.2 -2,-0.3 2,-0.5 -0.946 9.1-177.1-137.6 126.2 44.1 0.5 -6.8 37 37 A D E > -C 23 0A 9 -2,-0.4 3,-1.7 7,-0.3 6,-0.3 -0.988 22.5-148.1-118.3 126.8 47.8 0.4 -5.8 38 38 A S T 3 S+ 0 0 24 -16,-3.2 -15,-0.1 -2,-0.5 -1,-0.1 0.628 101.0 51.9 -60.2 -17.3 48.6 1.4 -2.2 39 39 A D T 3 S+ 0 0 79 -17,-0.3 -1,-0.3 3,-0.0 -16,-0.1 0.430 88.7 106.6-100.9 -3.4 51.9 2.7 -3.6 40 40 A A S < S- 0 0 21 -3,-1.7 -4,-0.0 1,-0.1 0, 0.0 -0.216 76.8-111.9 -79.0 168.4 50.5 4.9 -6.3 41 41 A A S S+ 0 0 108 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.947 105.6 46.6 -55.6 -58.2 50.2 8.8 -6.3 42 42 A S S S- 0 0 53 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.703 81.9-145.0 -73.1 -34.1 46.5 9.4 -6.1 43 43 A Q + 0 0 86 -6,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.803 67.2 103.3 67.3 31.8 45.5 7.0 -3.3 44 44 A R S S- 0 0 94 -7,-0.1 -7,-0.3 -9,-0.1 2,-0.3 -0.898 86.4 -89.3-132.9 162.9 42.2 6.5 -5.2 45 45 A M - 0 0 4 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.634 52.5-155.3 -70.1 130.3 40.6 3.8 -7.4 46 46 A E E -D 35 0A 45 -11,-2.5 -11,-1.9 -2,-0.3 2,-0.1 -0.852 13.7-109.6-116.6 147.5 41.7 4.7 -10.9 47 47 A P E +D 34 0A 38 0, 0.0 -13,-0.2 0, 0.0 -14,-0.1 -0.396 30.5 172.8 -70.5 151.0 40.2 4.0 -14.3 48 48 A R + 0 0 112 -15,-2.6 -14,-0.2 1,-0.3 -16,-0.1 0.377 64.0 54.2-135.1 -5.2 41.9 1.5 -16.7 49 49 A A S > S- 0 0 4 -16,-1.0 3,-1.2 1,-0.1 -1,-0.3 -0.970 81.2-123.6-130.1 144.7 39.4 1.1 -19.5 50 50 A P G > S+ 0 0 98 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.892 103.1 59.9 -51.0 -42.7 37.9 4.0 -21.6 51 51 A W G 3 S+ 0 0 12 1,-0.3 3,-0.1 2,-0.1 125,-0.1 0.253 92.5 64.9 -79.7 9.9 34.2 3.1 -20.9 52 52 A I G X S+ 0 0 0 -3,-1.2 3,-0.8 1,-0.1 -1,-0.3 0.424 79.6 78.2-115.0 4.0 34.3 3.5 -17.2 53 53 A E T < S+ 0 0 128 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.416 78.2 74.3 -92.6 1.1 35.1 7.2 -17.0 54 54 A Q T 3 S+ 0 0 110 -3,-0.1 2,-0.3 -4,-0.1 -1,-0.2 0.465 73.8 101.7 -88.8 -5.9 31.5 7.9 -17.7 55 55 A E S < S- 0 0 10 -3,-0.8 5,-0.1 1,-0.1 -3,-0.0 -0.617 79.6-118.0 -67.0 139.1 30.8 6.9 -14.2 56 56 A G > - 0 0 20 -2,-0.3 4,-1.2 1,-0.1 3,-0.4 -0.021 27.8 -89.5 -76.2-178.8 30.4 10.0 -12.0 57 57 A P H > S+ 0 0 92 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.862 124.0 62.9 -58.2 -40.2 32.4 11.4 -9.1 58 58 A E H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 99.8 54.0 -48.4 -48.5 30.1 9.4 -6.7 59 59 A Y H > S+ 0 0 12 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.917 112.3 41.2 -55.3 -49.3 31.3 6.2 -8.3 60 60 A W H X S+ 0 0 28 -4,-1.2 4,-2.2 2,-0.2 -15,-0.4 0.891 113.8 53.1 -72.4 -39.4 35.0 6.9 -7.7 61 61 A D H X S+ 0 0 82 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.909 114.1 43.6 -55.2 -47.7 34.4 8.3 -4.3 62 62 A G H X S+ 0 0 9 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.915 112.7 49.6 -68.9 -43.2 32.6 5.2 -3.3 63 63 A E H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.812 108.5 54.1 -68.4 -32.9 35.0 2.7 -4.9 64 64 A T H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.949 109.8 48.1 -62.8 -48.4 38.0 4.4 -3.2 65 65 A R H X S+ 0 0 75 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.890 113.2 47.0 -61.4 -39.4 36.3 4.0 0.2 66 66 A K H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.877 111.2 50.0 -73.9 -33.4 35.5 0.4 -0.4 67 67 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.854 110.1 51.3 -75.1 -29.8 38.9 -0.6 -1.7 68 68 A K H X S+ 0 0 86 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.814 108.3 52.4 -70.5 -28.2 40.5 1.1 1.3 69 69 A A H X S+ 0 0 1 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.941 110.7 47.1 -73.5 -42.9 38.1 -0.9 3.5 70 70 A H H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.832 110.0 54.1 -57.1 -38.6 39.3 -4.1 1.7 71 71 A S H X S+ 0 0 28 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.932 107.4 50.8 -65.1 -47.5 42.9 -2.9 2.2 72 72 A Q H X S+ 0 0 41 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.808 107.9 50.9 -57.7 -39.3 42.3 -2.5 5.9 73 73 A T H X S+ 0 0 0 -4,-1.7 4,-3.1 1,-0.2 313,-0.3 0.963 112.6 47.1 -68.4 -45.4 40.8 -6.0 6.3 74 74 A H H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.788 108.6 55.3 -57.9 -35.6 43.9 -7.5 4.5 75 75 A R H X S+ 0 0 100 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.957 114.8 39.1 -61.6 -51.4 46.3 -5.4 6.6 76 76 A V H >X S+ 0 0 50 -4,-1.9 4,-2.0 1,-0.2 3,-0.6 0.891 110.3 60.9 -68.5 -37.8 44.7 -6.9 9.7 77 77 A D H 3X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.3 5,-0.2 0.868 99.7 55.9 -57.9 -41.1 44.4 -10.3 8.1 78 78 A L H 3X S+ 0 0 9 -4,-2.0 4,-1.3 1,-0.2 -1,-0.3 0.844 111.5 43.6 -58.9 -37.9 48.2 -10.5 7.7 79 79 A G H S+ 0 0 95 -4,-1.3 5,-2.4 -5,-0.2 4,-0.3 0.919 111.2 43.0 -57.0 -44.0 50.7 -14.5 11.7 83 83 A G H ><5S+ 0 0 51 -4,-1.4 3,-0.7 3,-0.2 -2,-0.3 0.840 108.9 59.1 -66.6 -33.9 49.3 -15.1 15.1 84 84 A Y H 3<5S+ 0 0 58 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.811 116.8 31.2 -69.4 -29.4 47.3 -18.1 13.9 85 85 A Y T 3<5S- 0 0 75 -4,-1.7 -1,-0.2 -3,-0.1 -2,-0.2 0.270 106.6-122.5-110.7 9.6 50.4 -20.0 12.7 86 86 A N T < 5 + 0 0 153 -3,-0.7 -3,-0.2 -4,-0.3 2,-0.2 0.884 53.0 165.0 48.9 50.1 52.8 -18.6 15.4 87 87 A Q < - 0 0 54 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.0 -0.562 39.9 -92.2 -93.9 162.0 55.1 -17.1 12.7 88 88 A S > - 0 0 79 -2,-0.2 3,-1.0 1,-0.1 -1,-0.1 -0.331 21.0-126.7 -75.9 157.0 57.8 -14.6 13.4 89 89 A E T 3 S+ 0 0 129 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.0 0.783 104.5 68.5 -67.1 -27.0 57.3 -10.8 13.1 90 90 A A T 3 S+ 0 0 78 -75,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.573 81.9 90.6 -71.7 -15.1 60.3 -10.7 10.8 91 91 A G < - 0 0 25 -3,-1.0 2,-0.5 -77,-0.1 -78,-0.0 -0.578 68.7-130.9 -94.4 147.9 58.9 -12.6 7.8 92 92 A S - 0 0 45 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 -0.813 32.9-179.3 -94.1 130.5 57.1 -11.3 4.7 93 93 A H - 0 0 22 -2,-0.5 -80,-2.0 184,-0.1 2,-0.5 -0.810 17.1-125.3-131.7 167.0 53.8 -13.2 3.9 94 94 A T E -A 12 0A 2 -2,-0.3 25,-3.8 -82,-0.2 2,-0.5 -0.949 14.8-175.1-129.4 128.5 51.1 -13.1 1.3 95 95 A V E +AE 11 118A 0 -84,-3.4 -84,-3.3 -2,-0.5 2,-0.4 -0.953 10.8 179.1-111.0 127.1 47.3 -12.7 1.2 96 96 A Q E -AE 10 117A 0 21,-2.0 21,-2.5 -2,-0.5 2,-0.4 -0.992 1.8-178.4-123.6 143.1 45.3 -13.0 -2.0 97 97 A R E -AE 9 116A 5 -88,-2.3 -88,-2.5 -2,-0.4 2,-0.4 -0.994 1.0-178.8-134.4 140.5 41.6 -12.8 -2.4 98 98 A M E +AE 8 115A 22 17,-1.9 17,-2.9 -2,-0.4 2,-0.3 -0.968 7.3 165.3-142.4 128.2 39.5 -13.1 -5.5 99 99 A Y E +AE 7 114A 0 -92,-1.4 -92,-2.5 -2,-0.4 2,-0.3 -0.959 12.9 110.0-136.6 159.2 35.7 -12.8 -6.0 100 100 A G E -AE 6 113A 1 13,-1.9 13,-1.8 -2,-0.3 2,-0.3 -0.995 42.1 -93.1 169.8-168.0 33.2 -12.4 -8.8 101 101 A a E -AE 5 112A 0 -96,-1.8 -96,-2.0 -2,-0.3 2,-0.4 -0.969 13.2-144.8-140.4 153.3 30.4 -13.8 -10.9 102 102 A D E -AE 4 111A 33 9,-2.2 8,-2.3 -2,-0.3 9,-1.1 -0.889 14.1-168.0-108.5 142.7 29.6 -15.5 -14.2 103 103 A V E -AE 3 109A 0 -100,-2.4 -100,-1.8 -2,-0.4 6,-0.2 -0.915 17.9-125.7-121.4 157.9 26.6 -14.9 -16.5 104 104 A G > - 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