==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MHC CLASS I COMPLEX 04-MAR-98 1A6Z . COMPND 2 MOLECULE: HFE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.LEBRON,M.J.BENNETT,D.E.VAUGHN,A.J.CHIRINO,P.M.SNOW, . 742 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 68.6 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 . 270 36.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 . 60 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 0 0 0 0 2 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 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 . 6 8 2 10 0 8 2 6 2 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 . 0 0 6 2 0 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 4 A R 0 0 225 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.2 -12.9 51.5 32.2 2 5 A S - 0 0 52 100,-0.1 2,-0.3 101,-0.0 100,-0.2 -0.425 360.0-135.7 -92.5 167.5 -10.1 51.3 29.6 3 6 A H E -A 101 0A 67 98,-2.5 98,-2.2 -2,-0.1 2,-0.3 -0.916 14.8-161.2-126.6 153.2 -8.4 48.4 28.0 4 7 A S E -A 100 0A 12 -2,-0.3 25,-2.3 96,-0.2 2,-0.3 -0.952 15.1-175.9-137.4 154.5 -4.8 47.5 27.1 5 8 A L E +AB 99 28A 0 94,-1.8 94,-2.5 -2,-0.3 2,-0.3 -0.970 21.4 162.1-143.5 127.2 -2.7 45.3 25.0 6 9 A H E -AB 98 27A 26 21,-2.3 21,-2.6 -2,-0.3 2,-0.3 -0.991 24.8-146.2-152.0 143.8 1.1 45.3 25.3 7 10 A Y E -AB 97 26A 0 90,-3.6 90,-2.0 -2,-0.3 2,-0.4 -0.786 9.2-154.1-108.2 152.8 4.0 43.1 24.3 8 11 A L E -AB 96 25A 7 17,-2.4 17,-1.9 -2,-0.3 2,-0.4 -0.996 10.1-170.6-127.1 130.2 7.2 42.6 26.2 9 12 A F E +AB 95 24A 4 86,-3.1 86,-2.4 -2,-0.4 2,-0.3 -0.949 7.9 172.0-122.4 144.8 10.4 41.6 24.6 10 13 A M E +AB 94 23A 4 13,-2.0 13,-1.1 -2,-0.4 2,-0.3 -0.983 7.5 146.8-151.8 141.8 13.7 40.6 26.3 11 14 A G E -A 93 0A 7 82,-1.6 82,-2.6 -2,-0.3 2,-0.3 -0.965 25.7-139.7-165.8 164.6 16.9 39.1 25.1 12 15 A A E -A 92 0A 15 -2,-0.3 9,-1.3 80,-0.2 80,-0.3 -0.950 10.8-131.5-137.0 154.9 20.7 39.2 25.8 13 16 A S B -H 20 0B 5 78,-4.0 2,-0.4 -2,-0.3 7,-0.2 -0.436 26.9-119.7 -94.7 174.4 23.9 39.2 23.9 14 17 A E - 0 0 77 5,-0.7 2,-1.1 3,-0.5 75,-0.1 -0.944 28.8 -99.0-122.8 141.6 26.9 37.0 24.6 15 18 A Q S S- 0 0 54 -2,-0.4 73,-0.2 1,-0.3 75,-0.2 -0.381 99.2 -41.2 -57.3 94.4 30.4 37.8 25.6 16 19 A D S S+ 0 0 111 71,-1.4 2,-0.7 -2,-1.1 -1,-0.3 0.346 115.8 123.6 62.3 -9.7 32.1 37.6 22.1 17 20 A L - 0 0 113 1,-0.1 -3,-0.5 71,-0.1 -1,-0.2 -0.733 67.6-120.8 -82.5 117.1 29.8 34.5 21.7 18 21 A G S S+ 0 0 48 -2,-0.7 -1,-0.1 -3,-0.1 -3,-0.0 0.089 73.2 24.7 -51.1 170.6 27.8 35.1 18.6 19 22 A L S S- 0 0 147 -5,-0.0 -5,-0.7 -6,-0.0 2,-0.2 -0.191 73.0-136.3 68.5-160.0 24.0 35.2 18.7 20 23 A S B -H 13 0B 54 -7,-0.2 2,-0.2 2,-0.0 -7,-0.2 -0.695 17.1 -84.4-161.8-149.2 21.9 36.0 21.8 21 24 A L + 0 0 75 -9,-1.3 2,-0.3 -2,-0.2 -7,-0.0 -0.737 40.1 179.4-130.9 175.9 18.9 35.0 23.8 22 25 A F + 0 0 6 -2,-0.2 16,-0.8 -11,-0.2 17,-0.4 -0.912 16.2 160.9 178.8 154.2 15.2 36.0 23.4 23 26 A E E -BC 10 37A 22 -13,-1.1 -13,-2.0 -2,-0.3 2,-0.3 -0.854 15.3-157.8-177.7 140.3 11.6 35.7 24.5 24 27 A A E -BC 9 36A 0 12,-2.0 12,-1.8 -2,-0.2 2,-0.3 -0.917 4.3-166.6-128.8 156.6 8.4 37.7 24.1 25 28 A L E -BC 8 35A 0 -17,-1.9 -17,-2.4 -2,-0.3 2,-0.5 -0.997 8.1-151.0-142.4 144.9 5.1 38.0 26.0 26 29 A G E -BC 7 34A 0 8,-2.3 7,-2.7 -2,-0.3 8,-1.4 -0.968 13.3-175.3-121.8 131.5 1.7 39.4 25.2 27 30 A Y E -BC 6 32A 23 -21,-2.6 -21,-2.3 -2,-0.5 2,-0.5 -0.965 9.3-170.0-125.4 139.7 -0.7 40.8 27.8 28 31 A V E > S-BC 5 31A 0 3,-2.3 3,-1.7 -2,-0.4 -23,-0.3 -0.996 85.7 -9.6-128.0 123.6 -4.2 42.1 27.4 29 32 A D T 3 S- 0 0 38 -25,-2.3 -1,-0.2 -2,-0.5 -24,-0.1 0.933 130.7 -58.9 52.6 46.2 -5.6 43.9 30.4 30 33 A D T 3 S+ 0 0 91 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.667 111.5 126.3 56.9 21.2 -2.6 42.8 32.3 31 34 A Q E < -C 28 0A 39 -3,-1.7 -3,-2.3 176,-0.0 2,-0.4 -0.948 62.5-129.7-111.2 117.1 -3.5 39.2 31.6 32 35 A L E +C 27 0A 30 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.520 39.3 159.6 -68.8 121.1 -0.8 37.1 30.0 33 36 A F E + 0 0 1 -7,-2.7 13,-1.9 -2,-0.4 14,-0.5 0.604 56.3 38.1-117.1 -19.9 -2.2 35.4 26.9 34 37 A V E -CD 26 45A 0 -8,-1.4 -8,-2.3 11,-0.2 2,-0.3 -0.996 52.3-172.3-142.5 141.9 0.8 34.5 24.8 35 38 A F E -CD 25 44A 17 9,-2.3 9,-0.9 -2,-0.4 2,-0.3 -0.909 7.6-171.2-124.0 150.8 4.4 33.3 25.2 36 39 A Y E -CD 24 43A 1 -12,-1.8 -12,-2.0 -2,-0.3 2,-0.2 -0.986 1.3-168.1-148.0 134.3 7.1 33.0 22.6 37 40 A D E -C 23 0A 34 5,-1.0 -14,-0.2 -2,-0.3 -2,-0.0 -0.722 19.6-158.9-116.2 165.9 10.6 31.5 22.7 38 41 A H S S+ 0 0 79 -16,-0.8 -1,-0.1 -2,-0.2 -15,-0.1 0.656 96.4 58.5-109.9 -35.0 13.5 31.6 20.4 39 42 A E S S+ 0 0 97 -17,-0.4 -16,-0.1 1,-0.2 -2,-0.0 0.879 126.5 19.9 -60.4 -41.8 15.1 28.4 21.7 40 43 A S S S- 0 0 55 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.693 91.2-150.4 -99.0 -27.2 11.9 26.5 20.8 41 44 A R + 0 0 125 1,-0.2 2,-0.4 26,-0.0 -3,-0.1 0.671 52.6 130.0 63.2 19.0 10.6 29.1 18.3 42 45 A R - 0 0 148 0, 0.0 -5,-1.0 0, 0.0 2,-1.0 -0.847 58.9-133.3-108.3 139.8 7.0 28.0 19.2 43 46 A V E -D 36 0A 21 -2,-0.4 -7,-0.2 -7,-0.2 20,-0.1 -0.767 29.0-169.1 -93.6 99.4 4.2 30.3 20.1 44 47 A E E -D 35 0A 46 -2,-1.0 -9,-2.3 -9,-0.9 2,-0.2 -0.512 16.8-123.7 -88.3 155.0 2.4 28.9 23.2 45 48 A P E -D 34 0A 51 0, 0.0 -11,-0.2 0, 0.0 6,-0.1 -0.569 15.0-168.3 -92.2 160.5 -0.9 30.0 24.7 46 49 A R + 0 0 74 -13,-1.9 -12,-0.2 4,-0.4 -14,-0.1 0.367 68.3 43.1-130.3 1.7 -1.4 31.2 28.2 47 50 A T S > S- 0 0 13 -14,-0.5 3,-0.6 3,-0.5 -1,-0.2 -0.969 76.8-120.3-144.3 156.3 -5.1 31.3 28.7 48 51 A P T 3 S+ 0 0 110 0, 0.0 3,-0.3 0, 0.0 6,-0.1 0.908 108.7 55.2 -64.4 -42.2 -8.1 29.1 27.7 49 52 A W T 3 S+ 0 0 23 1,-0.2 2,-0.3 124,-0.1 125,-0.1 0.606 106.8 50.6 -68.0 -16.6 -9.8 31.7 25.5 50 53 A V S < S+ 0 0 11 -3,-0.6 -3,-0.5 -17,-0.1 -4,-0.4 -0.672 81.2 157.5-123.5 73.3 -6.8 32.3 23.3 51 54 A S - 0 0 26 3,-0.6 8,-0.2 -3,-0.3 -7,-0.0 -0.545 51.9-115.8 -98.2 163.3 -5.8 28.8 22.2 52 55 A S S S+ 0 0 47 -2,-0.2 7,-0.2 1,-0.2 -1,-0.1 0.970 116.6 18.6 -58.4 -58.9 -3.7 27.5 19.2 53 56 A R S > S+ 0 0 86 2,-0.1 3,-1.2 3,-0.1 2,-0.8 0.827 107.9 88.2 -83.4 -35.4 -6.6 25.5 17.7 54 57 A I T 3 S- 0 0 54 1,-0.3 -3,-0.6 2,-0.1 5,-0.1 -0.535 121.3 -15.5 -68.3 105.4 -9.4 27.3 19.6 55 58 A S T >> S+ 0 0 70 -2,-0.8 3,-0.8 1,-0.1 4,-0.7 0.981 83.6 178.5 59.4 56.8 -10.2 30.2 17.2 56 59 A S T <4 + 0 0 66 -3,-1.2 4,-0.5 1,-0.2 -1,-0.1 0.282 56.3 91.9 -74.7 8.9 -6.9 29.7 15.4 57 60 A Q T >> S+ 0 0 157 2,-0.2 4,-0.8 1,-0.2 3,-0.5 0.944 96.1 35.1 -67.5 -47.0 -7.7 32.6 12.9 58 61 A M H <> S+ 0 0 20 -3,-0.8 4,-3.0 1,-0.2 5,-0.3 0.860 106.4 67.4 -73.9 -39.6 -5.9 35.1 15.2 59 62 A W H 3X S+ 0 0 30 -4,-0.7 4,-0.7 -8,-0.2 -1,-0.2 0.677 97.6 60.1 -56.3 -16.1 -3.2 32.6 16.4 60 63 A L H <> S+ 0 0 60 -3,-0.5 4,-1.0 -4,-0.5 -1,-0.2 0.974 112.5 30.5 -76.0 -61.4 -2.0 32.7 12.8 61 64 A Q H X S+ 0 0 74 -4,-0.8 4,-4.4 1,-0.2 -2,-0.2 0.836 118.2 58.1 -68.2 -32.4 -1.2 36.4 12.4 62 65 A L H X S+ 0 0 1 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.842 107.1 47.8 -65.5 -32.3 -0.3 36.6 16.1 63 66 A S H X S+ 0 0 17 -4,-0.7 4,-1.1 -5,-0.3 -1,-0.2 0.739 116.0 45.1 -78.0 -23.3 2.3 33.9 15.5 64 67 A Q H X S+ 0 0 58 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.914 107.6 57.6 -81.0 -48.8 3.5 36.0 12.5 65 68 A S H X S+ 0 0 34 -4,-4.4 4,-2.0 1,-0.2 -2,-0.2 0.863 110.4 43.9 -47.4 -45.7 3.4 39.3 14.4 66 69 A L H X S+ 0 0 1 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.902 110.1 52.3 -72.0 -42.9 5.9 37.9 17.0 67 70 A K H X S+ 0 0 59 -4,-1.1 4,-1.7 1,-0.2 -2,-0.2 0.877 111.9 50.3 -61.4 -34.0 8.2 36.2 14.5 68 71 A G H X S+ 0 0 37 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.942 110.4 46.9 -67.3 -47.8 8.4 39.5 12.8 69 72 A W H X S+ 0 0 23 -4,-2.0 4,-3.4 1,-0.2 5,-0.2 0.846 105.9 61.1 -62.5 -33.8 9.1 41.4 16.0 70 73 A D H X S+ 0 0 5 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.959 107.7 43.7 -57.5 -50.4 11.7 38.8 16.8 71 74 A H H X S+ 0 0 91 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.931 115.9 47.3 -58.5 -50.5 13.6 39.8 13.6 72 75 A M H X S+ 0 0 50 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.905 110.7 51.9 -58.3 -45.9 13.2 43.5 14.2 73 76 A F H X S+ 0 0 10 -4,-3.4 4,-3.6 1,-0.2 5,-0.2 0.944 109.5 50.9 -57.7 -47.6 14.3 43.1 17.8 74 77 A T H X S+ 0 0 24 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.932 112.0 45.8 -56.0 -48.2 17.4 41.3 16.6 75 78 A V H X S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.935 115.4 47.6 -60.0 -47.0 18.2 44.1 14.1 76 79 A D H X S+ 0 0 3 -4,-3.2 4,-3.0 2,-0.2 5,-0.3 0.916 108.8 53.9 -61.0 -44.9 17.5 46.7 16.8 77 80 A F H X S+ 0 0 5 -4,-3.6 4,-2.9 1,-0.2 5,-0.2 0.935 111.7 45.1 -55.7 -47.7 19.7 44.9 19.4 78 81 A W H X S+ 0 0 67 -4,-2.3 4,-3.2 -5,-0.2 5,-0.2 0.925 112.3 51.6 -63.9 -42.5 22.6 44.8 17.0 79 82 A T H X S+ 0 0 7 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.941 114.3 42.5 -59.8 -49.2 22.1 48.5 16.0 80 83 A I H < S+ 0 0 0 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.921 116.2 48.6 -64.7 -45.7 22.0 49.6 19.7 81 84 A M H ><>S+ 0 0 7 -4,-2.9 3,-1.8 -5,-0.3 5,-1.8 0.953 111.5 48.3 -61.7 -48.8 24.9 47.4 20.7 82 85 A E H ><5S+ 0 0 62 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.797 104.6 61.3 -63.2 -25.5 27.1 48.4 17.8 83 86 A N T 3<5S+ 0 0 27 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.333 104.7 48.2 -84.3 9.6 26.4 52.1 18.6 84 87 A H T < 5S- 0 0 22 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.303 114.8-116.5-120.3 -4.2 28.0 51.7 22.0 85 88 A N T < 5 + 0 0 151 -3,-0.9 2,-0.5 -4,-0.4 -3,-0.2 0.957 63.2 157.5 61.9 49.0 31.0 50.0 20.5 86 89 A H < + 0 0 36 -5,-1.8 -1,-0.2 1,-0.1 -2,-0.1 -0.930 8.8 122.2-109.1 126.8 29.9 46.9 22.5 87 90 A S S S+ 0 0 75 -2,-0.5 -71,-1.4 -3,-0.1 -1,-0.1 0.478 71.5 40.6-144.7 -62.4 31.2 43.5 21.4 88 91 A K S S+ 0 0 148 -73,-0.2 2,-0.2 -72,-0.1 -71,-0.1 0.414 104.5 92.2 -79.0 1.7 33.2 41.3 23.7 89 92 A E S S- 0 0 114 -74,-0.2 2,-0.5 -75,-0.1 -73,-0.5 -0.534 78.7-125.5 -94.1 159.4 30.7 42.5 26.3 90 93 A S + 0 0 58 -2,-0.2 2,-0.3 -75,-0.2 -76,-0.1 -0.930 38.8 170.2-107.0 126.9 27.5 40.8 27.4 91 94 A H - 0 0 7 -2,-0.5 -78,-4.0 -4,-0.1 2,-0.3 -0.882 23.9-138.6-135.3 167.3 24.4 43.0 27.2 92 95 A T E -A 12 0A 15 -2,-0.3 24,-2.6 -80,-0.3 2,-0.4 -0.920 7.2-164.7-126.2 152.0 20.6 43.0 27.4 93 96 A L E -AE 11 115A 0 -82,-2.6 -82,-1.6 -2,-0.3 2,-0.4 -0.999 7.9-175.8-134.9 131.8 17.9 44.6 25.4 94 97 A Q E -AE 10 114A 0 20,-3.1 20,-3.6 -2,-0.4 2,-0.4 -0.980 3.2-168.0-127.7 142.0 14.2 44.9 26.6 95 98 A V E -AE 9 113A 6 -86,-2.4 -86,-3.1 -2,-0.4 2,-0.4 -0.970 6.5-172.1-130.3 147.5 11.3 46.3 24.6 96 99 A I E +AE 8 112A 31 16,-2.1 16,-3.2 -2,-0.4 2,-0.3 -0.998 17.6 158.5-137.1 128.8 7.8 47.2 25.7 97 100 A L E +AE 7 111A 1 -90,-2.0 -90,-3.6 -2,-0.4 2,-0.3 -0.983 11.9 112.6-152.0 148.0 5.2 48.3 23.2 98 101 A G E -AE 6 110A 0 12,-1.8 12,-2.2 -2,-0.3 2,-0.3 -0.972 47.1-100.4 172.8-171.3 1.4 48.4 23.2 99 102 A a E -AE 5 109A 0 -94,-2.5 -94,-1.8 -2,-0.3 2,-0.5 -0.974 12.5-144.7-141.4 151.5 -1.7 50.6 23.1 100 103 A E E -AE 4 108A 68 8,-3.3 8,-1.5 -2,-0.3 2,-0.4 -0.942 17.3-161.5-122.2 106.8 -4.2 51.8 25.6 101 104 A M E -AE 3 107A 18 -98,-2.2 -98,-2.5 -2,-0.5 6,-0.2 -0.731 10.8-142.7 -90.3 133.6 -7.8 52.2 24.4 102 105 A Q > - 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