==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 16-NOV-09 3KPR . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-44 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.A.MACDONALD,Z.CHEN,S.GRAS,J.K.ARCHBOLD,F.E.TYNAN, . 1652 10 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 75340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1072 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 571 34.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 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 . 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 . 171 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 4 0 0 2 0 0 2 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 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 . 10 21 20 6 13 14 3 6 4 6 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 8 7 2 1 2 0 0 1 1 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 73 0, 0.0 2,-0.2 0, 0.0 179,-0.0 0.000 360.0 360.0 360.0 -52.2 48.8 -14.4 13.1 2 2 A S - 0 0 69 102,-0.1 2,-0.3 104,-0.1 102,-0.2 -0.612 360.0-174.3 -95.3 152.3 45.3 -15.6 12.3 3 3 A H E -A 103 0A 29 100,-1.4 100,-3.0 -2,-0.2 2,-0.3 -0.906 4.7-156.5-139.2 165.6 42.9 -17.4 14.7 4 4 A S E -A 102 0A 24 -2,-0.3 25,-2.7 98,-0.2 2,-0.4 -0.994 9.6-153.8-147.8 151.9 39.5 -19.0 14.6 5 5 A M E -AB 101 28A 0 96,-2.1 96,-1.4 -2,-0.3 2,-0.3 -0.990 20.0-179.8-123.8 135.3 36.4 -20.0 16.6 6 6 A R E -AB 100 27A 46 21,-2.6 21,-2.7 -2,-0.4 2,-0.4 -0.987 17.1-159.7-134.6 144.8 34.1 -22.9 15.7 7 7 A Y E -AB 99 26A 0 92,-2.5 92,-1.8 -2,-0.3 2,-0.5 -0.996 14.0-155.8-120.3 130.8 30.9 -24.5 17.2 8 8 A F E -AB 98 25A 20 17,-3.0 17,-1.6 -2,-0.4 2,-0.4 -0.930 6.4-165.7-112.9 122.0 30.0 -28.0 16.1 9 9 A Y E -AB 97 24A 0 88,-3.2 88,-1.7 -2,-0.5 2,-0.4 -0.866 6.4-177.4-104.8 134.5 26.4 -29.2 16.3 10 10 A T E -AB 96 23A 1 13,-2.4 13,-2.4 -2,-0.4 2,-0.5 -0.945 0.9-179.3-132.6 116.5 25.4 -32.9 16.0 11 11 A A E -AB 95 22A 1 84,-2.8 84,-2.5 -2,-0.4 2,-0.5 -0.966 5.5-178.1-113.2 122.2 21.7 -33.8 16.1 12 12 A M E -AB 94 21A 11 9,-2.2 9,-2.8 -2,-0.5 82,-0.2 -0.971 14.4-148.2-127.8 114.2 21.0 -37.5 15.9 13 13 A S - 0 0 18 80,-2.4 6,-0.1 -2,-0.5 80,-0.1 -0.560 11.1-172.9 -81.4 147.2 17.4 -38.9 15.8 14 14 A R > - 0 0 31 4,-0.3 3,-1.1 -2,-0.2 78,-0.1 -0.667 17.5-144.0-143.9 81.2 16.7 -42.3 17.4 15 15 A P T 3 S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 4,-0.1 -0.189 85.3 3.2 -52.6 128.5 13.1 -43.5 16.7 16 16 A G T 3 S+ 0 0 86 2,-0.3 2,-0.4 1,-0.1 3,-0.1 -0.111 114.7 85.2 86.7 -36.8 11.7 -45.4 19.7 17 17 A R S < S- 0 0 151 -3,-1.1 2,-0.2 -2,-0.3 -1,-0.1 -0.216 105.2 -91.8 -93.0 42.7 14.8 -44.8 21.8 18 18 A G - 0 0 60 -2,-0.4 -4,-0.3 -5,-0.0 -2,-0.3 -0.513 69.8 -21.0 94.8-155.7 13.7 -41.3 23.1 19 19 A E S S- 0 0 84 -2,-0.2 -7,-0.1 1,-0.2 52,-0.0 -0.476 81.9 -75.2 -88.6 163.2 14.2 -37.8 21.8 20 20 A P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 -7,-0.3 -0.264 46.9-120.7 -57.2 143.4 17.0 -36.7 19.3 21 21 A R E -B 12 0A 65 -9,-2.8 -9,-2.2 -3,-0.1 2,-0.5 -0.797 26.3-163.8 -89.8 121.7 20.5 -36.3 20.8 22 22 A F E +B 11 0A 2 -2,-0.6 16,-2.2 -11,-0.2 2,-0.4 -0.935 9.9 178.8-108.6 124.2 21.9 -32.9 20.6 23 23 A I E -BC 10 37A 10 -13,-2.4 -13,-2.4 -2,-0.5 2,-0.4 -0.962 5.0-173.5-123.7 141.3 25.7 -32.4 21.1 24 24 A T E +BC 9 36A 0 12,-2.8 12,-2.2 -2,-0.4 2,-0.4 -0.999 4.1 180.0-134.7 135.1 27.8 -29.2 20.9 25 25 A V E -BC 8 35A 0 -17,-1.6 -17,-3.0 -2,-0.4 2,-0.4 -0.996 12.6-152.6-129.4 141.0 31.5 -28.6 21.0 26 26 A G E -BC 7 34A 0 8,-2.6 7,-2.3 -2,-0.4 8,-1.0 -0.928 11.4-171.0-113.5 136.9 33.4 -25.3 20.8 27 27 A Y E -BC 6 32A 34 -21,-2.7 -21,-2.6 -2,-0.4 2,-0.6 -0.978 18.8-160.3-125.9 137.3 36.9 -24.8 19.6 28 28 A V E > S-BC 5 31A 0 3,-2.7 3,-2.2 -2,-0.4 2,-0.5 -0.983 81.2 -47.4-108.8 115.3 39.4 -21.9 19.5 29 29 A D T 3 S- 0 0 32 -25,-2.7 -26,-0.0 -2,-0.6 -23,-0.0 -0.492 125.8 -24.4 55.0-110.2 41.9 -22.9 16.8 30 30 A D T 3 S+ 0 0 58 -2,-0.5 2,-0.5 149,-0.1 -1,-0.3 0.071 117.5 101.3-115.3 22.7 42.6 -26.5 17.9 31 31 A T E < -C 28 0A 8 -3,-2.2 -3,-2.7 148,-0.0 2,-0.3 -0.941 64.7-140.2-113.3 120.6 41.7 -26.2 21.5 32 32 A L E +C 27 0A 35 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.598 31.1 161.3 -72.8 136.0 38.4 -27.4 22.9 33 33 A F E + 0 0 0 -7,-2.3 15,-2.6 1,-0.4 16,-0.9 0.561 55.9 28.9-131.5 -20.6 36.9 -25.0 25.4 34 34 A V E -CD 26 47A 0 -8,-1.0 -8,-2.6 13,-0.3 -1,-0.4 -0.993 57.3-178.9-147.8 149.3 33.2 -25.7 25.8 35 35 A R E -CD 25 46A 28 11,-1.7 11,-2.4 -2,-0.3 2,-0.3 -0.981 8.4-173.0-146.9 157.2 30.8 -28.7 25.5 36 36 A F E -C 24 0A 3 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.4 -0.954 1.2-177.9-151.5 134.1 27.1 -29.7 25.7 37 37 A D E > -C 23 0A 17 7,-0.3 3,-1.3 -2,-0.3 -14,-0.2 -0.994 20.0-150.4-132.8 127.0 25.4 -33.1 25.5 38 38 A S T 3 S+ 0 0 16 -16,-2.2 -15,-0.1 -2,-0.4 -1,-0.1 0.689 95.8 60.8 -68.3 -20.7 21.6 -33.4 25.7 39 39 A D T 3 S+ 0 0 77 -17,-0.2 -1,-0.2 3,-0.1 2,-0.1 0.443 77.4 112.6 -89.7 -1.6 21.9 -36.9 27.4 40 40 A A S < S- 0 0 30 -3,-1.3 -4,-0.0 1,-0.1 0, 0.0 -0.382 80.7-111.4 -64.4 151.5 23.8 -35.6 30.4 41 41 A T S S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.957 108.7 11.1 -54.6 -70.4 21.8 -35.8 33.6 42 42 A S S S- 0 0 103 2,-0.0 -1,-0.3 -3,-0.0 2,-0.1 -0.841 101.4-141.7-108.1 90.6 21.2 -32.1 34.4 43 43 A P + 0 0 26 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.297 37.5 136.7 -74.5 128.6 22.4 -30.9 31.0 44 44 A R - 0 0 96 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.3 -0.975 57.4 -77.4-154.5 169.1 24.4 -27.7 30.6 45 45 A K - 0 0 4 15,-0.4 -9,-0.2 -2,-0.3 19,-0.1 -0.571 50.9-164.0 -69.0 125.8 27.4 -26.0 28.9 46 46 A E E -D 35 0A 67 -11,-2.4 -11,-1.7 -2,-0.3 2,-0.1 -0.866 19.6-110.4-115.7 147.1 30.6 -27.1 30.6 47 47 A P E +D 34 0A 54 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.473 30.1 172.5 -69.7 145.9 34.1 -25.7 30.5 48 48 A R + 0 0 98 -15,-2.6 -14,-0.2 1,-0.3 -16,-0.1 0.283 68.7 49.2-134.3 1.9 36.9 -27.7 28.8 49 49 A A S >> S- 0 0 0 -16,-0.9 3,-1.9 -18,-0.1 4,-0.5 -0.980 80.9-127.7-140.8 134.9 39.7 -25.2 28.9 50 50 A P G >4 S+ 0 0 82 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.736 104.1 61.8 -52.1 -31.5 40.8 -23.3 32.0 51 51 A W G 34 S+ 0 0 15 1,-0.2 3,-0.4 2,-0.2 4,-0.1 0.649 96.8 58.0 -75.5 -16.0 40.7 -19.9 30.4 52 52 A I G X4 S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.656 88.6 74.5 -84.5 -18.1 36.9 -20.1 29.7 53 53 A E T << S+ 0 0 125 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.724 81.0 73.3 -64.7 -21.6 36.2 -20.7 33.5 54 54 A Q T 3 S+ 0 0 130 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.735 74.7 104.7 -63.4 -25.5 36.9 -16.9 33.8 55 55 A E S < S- 0 0 24 -3,-1.5 5,-0.1 1,-0.1 -3,-0.0 -0.328 76.0-112.2 -62.2 138.8 33.5 -16.2 32.2 56 56 A G >> - 0 0 33 1,-0.1 4,-1.2 3,-0.1 3,-0.5 0.054 26.5 -97.1 -69.0 175.3 30.8 -15.1 34.6 57 57 A P H 3> S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.778 120.2 60.7 -64.8 -30.4 27.5 -16.8 35.7 58 58 A E H 3> S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.835 102.5 55.0 -62.9 -35.1 25.4 -14.9 33.1 59 59 A Y H <> S+ 0 0 7 -3,-0.5 4,-3.0 2,-0.2 5,-0.2 0.959 107.2 45.9 -61.1 -56.4 27.5 -16.5 30.4 60 60 A W H X S+ 0 0 35 -4,-1.2 4,-2.2 1,-0.2 -15,-0.4 0.822 112.6 50.4 -64.5 -35.7 27.0 -20.1 31.4 61 61 A D H X S+ 0 0 96 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.920 114.4 43.1 -66.7 -46.7 23.2 -19.8 31.8 62 62 A R H X S+ 0 0 69 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.904 114.4 51.4 -66.3 -42.5 22.7 -18.1 28.4 63 63 A E H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.906 112.8 46.3 -56.8 -45.2 25.1 -20.7 26.8 64 64 A T H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.897 109.9 53.2 -64.7 -43.7 23.1 -23.5 28.4 65 65 A Q H X S+ 0 0 69 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.890 107.1 51.3 -63.1 -41.8 19.8 -22.0 27.4 66 66 A I H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.932 112.1 48.1 -57.2 -46.9 20.8 -21.8 23.7 67 67 A S H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.878 112.3 47.6 -62.6 -41.8 21.9 -25.4 23.8 68 68 A K H X S+ 0 0 95 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.870 113.1 48.6 -68.2 -38.5 18.6 -26.5 25.5 69 69 A T H >X S+ 0 0 11 -4,-2.6 4,-2.5 1,-0.2 3,-0.6 0.891 106.3 58.4 -65.9 -40.7 16.6 -24.5 22.9 70 70 A N H 3X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.858 95.7 62.7 -56.4 -39.1 18.7 -26.1 20.1 71 71 A T H 3X S+ 0 0 17 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.886 110.8 39.2 -54.2 -41.9 17.6 -29.6 21.3 72 72 A Q H X>S+ 0 0 16 -4,-1.7 5,-2.3 1,-0.2 4,-1.0 0.923 109.8 43.1 -55.9 -49.3 12.1 -36.4 6.6 83 83 A R H 3<5S+ 0 0 105 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.859 109.0 59.2 -65.9 -36.6 9.1 -34.9 4.8 84 84 A Y H 3<5S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.707 119.3 29.0 -64.3 -23.0 11.5 -33.0 2.5 85 85 A Y H <<5S- 0 0 71 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.410 107.7-117.7-116.8 -2.7 13.0 -36.3 1.3 86 86 A N T <5 + 0 0 150 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.936 59.5 155.4 59.7 51.4 10.0 -38.6 1.8 87 87 A Q < - 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