==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 21-JAN-11 3QFJ . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.Y.BORBULEVYCH,B.M.BAKER . 829 5 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38554.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 522 63.0 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 . 295 35.6 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 . 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 . 75 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 7.7 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 2 0 0 1 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 12 11 2 6 6 4 3 4 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 2 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 52 0, 0.0 106,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.3 28.0 -15.4 21.4 2 2 A S - 0 0 71 103,-0.1 2,-0.3 104,-0.1 102,-0.2 -0.422 360.0-162.7 -75.8 155.2 28.5 -15.9 25.1 3 3 A H E -A 103 0A 19 100,-1.8 100,-2.8 101,-0.1 2,-0.3 -0.951 8.2-164.9-138.2 157.0 29.9 -13.1 27.2 4 4 A S E -A 102 0A 7 -2,-0.3 25,-2.0 98,-0.2 2,-0.4 -0.975 13.0-153.4-137.6 157.1 31.5 -12.6 30.5 5 5 A M E +AB 101 28A 1 96,-2.1 96,-1.8 -2,-0.3 2,-0.3 -0.995 27.1 176.8-125.6 125.5 32.4 -9.8 33.0 6 6 A R E -AB 100 27A 81 21,-2.3 21,-3.2 -2,-0.4 2,-0.4 -0.969 19.2-160.0-133.4 142.8 35.4 -10.5 35.2 7 7 A Y E -AB 99 26A 2 92,-2.5 92,-1.4 -2,-0.3 2,-0.4 -0.972 9.8-162.0-121.4 141.4 37.3 -8.6 37.9 8 8 A F E -AB 98 25A 24 17,-3.0 17,-2.7 -2,-0.4 2,-0.4 -0.987 6.1-173.8-130.0 128.6 40.8 -9.6 39.0 9 9 A F E -AB 97 24A 0 88,-2.6 88,-2.8 -2,-0.4 2,-0.4 -0.991 3.2-177.7-130.4 130.2 42.5 -8.5 42.2 10 10 A T E -AB 96 23A 1 13,-2.6 13,-2.7 -2,-0.4 2,-0.4 -0.997 1.3-177.3-129.1 128.7 46.0 -9.1 43.2 11 11 A S E -AB 95 22A 1 84,-4.0 84,-3.2 -2,-0.4 2,-0.4 -0.993 2.0-175.8-128.7 127.0 47.4 -8.0 46.5 12 12 A V E -AB 94 21A 4 9,-2.4 9,-2.7 -2,-0.4 82,-0.2 -0.982 18.6-133.2-128.8 125.8 51.0 -8.6 47.5 13 13 A S - 0 0 22 80,-2.3 6,-0.1 -2,-0.4 62,-0.0 -0.358 7.7-153.0 -78.5 153.2 52.6 -7.7 50.9 14 14 A R > - 0 0 80 4,-0.6 3,-2.4 78,-0.1 4,-0.3 -0.668 11.6-145.8-132.1 79.4 55.9 -5.9 51.3 15 15 A P T 3 S- 0 0 43 0, 0.0 75,-0.1 0, 0.0 77,-0.1 -0.181 85.7 -6.4 -44.6 113.7 57.8 -6.7 54.6 16 16 A G T 3 S+ 0 0 88 2,-0.1 3,-0.1 1,-0.1 74,-0.1 0.470 122.3 82.5 78.7 1.7 59.6 -3.6 55.8 17 17 A R S < S- 0 0 224 -3,-2.4 2,-0.3 1,-0.3 -1,-0.1 0.119 94.4-126.6-125.9 12.4 58.6 -1.7 52.7 18 18 A G + 0 0 50 -4,-0.3 -4,-0.6 -5,-0.0 -1,-0.3 -0.572 60.9 27.4 97.0-138.6 55.2 -0.8 53.8 19 19 A E S S- 0 0 122 -2,-0.3 2,-0.0 1,-0.1 3,-0.0 -0.219 82.1 -94.4 -73.7 153.2 51.7 -1.1 52.5 20 20 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.353 33.9-111.1 -67.2 149.4 50.7 -3.9 50.1 21 21 A R E -B 12 0A 66 -9,-2.7 -9,-2.4 -2,-0.0 2,-0.5 -0.690 38.3-166.9 -71.1 125.0 50.8 -3.6 46.4 22 22 A F E +B 11 0A 2 -2,-0.4 16,-3.4 -11,-0.2 2,-0.5 -0.979 10.8 176.1-124.2 122.8 47.1 -3.7 45.2 23 23 A I E -BC 10 37A 6 -13,-2.7 -13,-2.6 -2,-0.5 2,-0.4 -0.986 3.8-176.6-125.0 124.8 46.1 -4.1 41.6 24 24 A A E +BC 9 36A 2 12,-3.1 12,-2.6 -2,-0.5 2,-0.4 -0.965 3.5 178.3-119.8 138.5 42.6 -4.4 40.3 25 25 A V E -BC 8 35A 1 -17,-2.7 -17,-3.0 -2,-0.4 2,-0.4 -0.993 11.4-156.4-136.2 137.6 41.6 -5.0 36.7 26 26 A G E -BC 7 34A 0 8,-2.0 7,-3.0 -2,-0.4 8,-1.2 -0.968 11.9-171.8-117.7 137.9 38.2 -5.5 35.1 27 27 A Y E -BC 6 32A 28 -21,-3.2 -21,-2.3 -2,-0.4 2,-0.5 -0.917 22.7-158.4-122.9 146.9 37.4 -7.3 31.8 28 28 A V E > S-BC 5 31A 0 3,-2.6 3,-2.8 -2,-0.3 -23,-0.2 -0.994 83.4 -44.0-115.3 124.0 34.5 -7.7 29.5 29 29 A D T 3 S- 0 0 24 -25,-2.0 -23,-0.1 -2,-0.5 -26,-0.1 -0.366 124.6 -28.2 48.5-119.3 35.4 -10.9 27.6 30 30 A D T 3 S+ 0 0 60 149,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.024 118.2 100.6-108.7 24.9 39.1 -10.3 26.7 31 31 A T E < -C 28 0A 25 -3,-2.8 -3,-2.6 148,-0.0 2,-0.2 -0.955 66.2-143.0-113.8 113.2 38.8 -6.5 26.6 32 32 A Q E +C 27 0A 38 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.554 24.7 171.7 -69.0 134.2 40.1 -4.8 29.8 33 33 A F E + 0 0 0 -7,-3.0 15,-2.4 1,-0.3 16,-0.5 0.630 56.2 25.1-120.4 -21.9 38.0 -1.8 30.6 34 34 A V E -CD 26 47A 1 -8,-1.2 -8,-2.0 13,-0.2 2,-0.3 -0.973 55.0-177.9-141.0 154.5 39.1 -0.6 34.0 35 35 A R E -CD 25 46A 28 11,-1.8 11,-3.1 -2,-0.3 2,-0.3 -0.993 10.4-172.3-144.5 155.7 42.1 -0.6 36.3 36 36 A F E -C 24 0A 4 -12,-2.6 -12,-3.1 -2,-0.3 2,-0.4 -0.980 8.8-177.1-137.0 135.4 43.2 0.6 39.7 37 37 A D E > -C 23 0A 13 -2,-0.3 3,-1.8 7,-0.3 6,-0.3 -0.994 24.4-144.6-130.7 126.2 46.8 0.3 40.8 38 38 A S T 3 S+ 0 0 25 -16,-3.4 -15,-0.1 -2,-0.4 -1,-0.1 0.640 101.1 53.4 -57.9 -18.0 47.8 1.3 44.4 39 39 A D T 3 S+ 0 0 80 -17,-0.3 -1,-0.3 -3,-0.0 -16,-0.1 0.429 89.0 99.2-101.0 -2.3 51.1 2.7 43.0 40 40 A A S < S- 0 0 26 -3,-1.8 3,-0.1 4,-0.1 -4,-0.0 -0.269 79.6-107.6 -86.7 175.7 49.7 4.9 40.3 41 41 A A S S+ 0 0 101 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.980 104.6 46.6 -60.8 -68.9 49.2 8.7 40.3 42 42 A S S S- 0 0 58 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.602 79.4-145.3 -55.2 -36.5 45.5 9.3 40.5 43 43 A Q + 0 0 77 -6,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.827 66.2 110.9 61.5 32.8 44.4 6.9 43.3 44 44 A R S S- 0 0 95 -7,-0.1 2,-0.4 -9,-0.1 -7,-0.3 -0.889 84.5 -95.3-127.5 158.4 41.2 6.4 41.2 45 45 A M - 0 0 7 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.682 53.4-151.8 -66.7 130.1 39.6 3.7 39.2 46 46 A E E -D 35 0A 39 -11,-3.1 -11,-1.8 -2,-0.4 2,-0.1 -0.848 12.1-110.1-113.8 144.6 40.8 4.6 35.7 47 47 A P E +D 34 0A 42 0, 0.0 -13,-0.2 0, 0.0 -14,-0.1 -0.459 30.0 173.4 -69.0 143.7 39.3 4.0 32.2 48 48 A R + 0 0 104 -15,-2.4 -14,-0.2 1,-0.2 -16,-0.1 0.078 65.8 52.2-137.4 16.7 41.0 1.5 29.9 49 49 A A S > S- 0 0 8 -16,-0.5 3,-1.0 1,-0.1 4,-0.5 -0.964 79.3-125.8-151.7 144.5 38.5 1.3 27.1 50 50 A P G > S+ 0 0 104 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.849 105.2 57.7 -58.2 -36.5 37.0 4.2 25.0 51 51 A W G 3 S+ 0 0 8 1,-0.2 125,-0.1 2,-0.2 -18,-0.0 0.417 98.8 57.0 -83.8 -1.4 33.4 3.1 25.7 52 52 A I G X S+ 0 0 0 -3,-1.0 3,-1.5 1,-0.1 -1,-0.2 0.591 87.4 75.8-103.4 -10.4 33.6 3.3 29.5 53 53 A E T < S+ 0 0 118 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.651 80.6 73.7 -74.8 -12.9 34.6 6.9 29.6 54 54 A Q T 3 S+ 0 0 124 -4,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.380 74.1 104.5 -81.6 3.1 31.0 7.8 28.7 55 55 A E S < S- 0 0 17 -3,-1.5 -3,-0.0 1,-0.1 5,-0.0 -0.575 77.1-111.8 -76.8 150.5 30.1 6.9 32.3 56 56 A G >> - 0 0 35 -2,-0.2 4,-1.1 1,-0.1 3,-1.1 -0.166 28.4 -94.3 -80.9 176.8 29.5 9.9 34.6 57 57 A P H 3> S+ 0 0 96 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.805 121.9 60.4 -62.5 -33.8 31.5 11.2 37.5 58 58 A E H 3> S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.751 101.0 55.7 -63.5 -28.9 29.3 9.3 40.0 59 59 A Y H <> S+ 0 0 15 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.933 111.5 41.9 -67.3 -46.4 30.4 6.0 38.4 60 60 A W H X S+ 0 0 27 -4,-1.1 4,-2.2 2,-0.2 -15,-0.4 0.908 114.0 51.1 -73.2 -44.7 34.1 6.7 38.8 61 61 A D H X S+ 0 0 69 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.907 113.6 46.6 -46.8 -51.3 33.6 8.1 42.4 62 62 A G H X S+ 0 0 6 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.940 112.9 47.0 -65.3 -46.8 31.7 4.9 43.3 63 63 A E H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.805 110.6 54.0 -64.4 -36.1 34.2 2.5 41.7 64 64 A T H X S+ 0 0 6 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.870 110.4 45.5 -67.4 -42.3 37.0 4.3 43.4 65 65 A R H X S+ 0 0 73 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.872 116.5 46.5 -64.4 -39.7 35.4 3.9 46.8 66 66 A K H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 3,-0.3 0.934 112.1 47.9 -76.6 -42.1 34.6 0.3 46.2 67 67 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.903 111.9 51.6 -61.4 -39.6 38.0 -0.7 44.8 68 68 A K H X S+ 0 0 83 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.714 107.8 52.7 -68.5 -24.2 39.6 1.1 47.8 69 69 A A H X S+ 0 0 1 -4,-1.0 4,-1.9 -3,-0.3 -2,-0.2 0.847 108.9 48.5 -77.2 -39.7 37.3 -1.0 50.0 70 70 A H H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 107.4 57.6 -57.3 -38.7 38.6 -4.1 48.2 71 71 A S H X S+ 0 0 20 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.926 107.9 46.8 -59.7 -47.7 42.1 -2.7 48.8 72 72 A Q H X S+ 0 0 38 -4,-1.6 4,-2.2 2,-0.2 5,-0.3 0.873 110.1 50.2 -56.0 -47.6 41.3 -2.7 52.6 73 73 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.2 0.987 112.9 48.1 -63.3 -48.9 39.9 -6.2 52.8 74 74 A H H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.770 111.5 50.1 -51.8 -39.6 42.9 -7.6 51.0 75 75 A R H X S+ 0 0 78 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.901 113.5 42.9 -69.4 -46.6 45.3 -5.7 53.2 76 76 A V H X S+ 0 0 48 -4,-2.2 4,-2.6 -3,-0.2 -2,-0.2 0.882 111.3 59.0 -67.7 -36.8 43.8 -6.9 56.4 77 77 A D H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 5,-0.3 0.861 99.3 56.8 -59.9 -36.2 43.5 -10.3 54.8 78 78 A L H X S+ 0 0 8 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.922 112.9 40.2 -65.8 -41.2 47.3 -10.4 54.3 79 79 A G H X S+ 0 0 43 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.857 115.7 52.1 -65.2 -39.8 47.7 -9.9 58.1 80 80 A T H X S+ 0 0 37 -4,-2.6 4,-2.1 2,-0.2 3,-0.2 0.963 111.0 45.8 -65.8 -51.9 44.9 -12.2 58.9 81 81 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.3 -1,-0.2 0.785 108.0 57.7 -58.1 -40.1 46.3 -15.1 56.7 82 82 A R H X>S+ 0 0 83 -4,-1.6 5,-2.4 -5,-0.3 4,-0.7 0.891 109.8 46.1 -54.1 -45.6 49.8 -14.6 58.2 83 83 A G H ><5S+ 0 0 51 -4,-1.7 3,-0.6 -3,-0.2 -2,-0.3 0.924 110.7 51.5 -62.4 -46.9 48.1 -15.2 61.5 84 84 A Y H 3<5S+ 0 0 75 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.822 120.3 34.5 -62.0 -34.7 46.2 -18.3 60.3 85 85 A Y H 3<5S- 0 0 72 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.456 105.4-127.3-100.5 -1.1 49.3 -19.9 58.9 86 86 A N T <<5 + 0 0 150 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.937 48.8 166.9 52.2 52.8 51.7 -18.5 61.7 87 87 A Q < - 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