==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 02-JAN-02 1KPR . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.HOLMES,R.K.STRONG . 766 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 517 67.5 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 . 269 35.1 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 . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 1 0 0 0 0 2 0 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 2 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 9 7 5 1 6 0 5 5 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 2 2 3 1 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 91 0, 0.0 2,-0.2 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0-103.4 108.2 -2.0 24.3 2 2 A S - 0 0 58 103,-0.1 2,-0.3 104,-0.1 102,-0.1 -0.630 360.0-160.2 173.1 128.5 107.3 -4.8 21.7 3 3 A H - 0 0 38 100,-0.3 100,-3.1 101,-0.2 2,-0.3 -0.914 12.8-168.3-133.9 158.1 107.5 -4.7 17.9 4 4 A S E -A 102 0A 7 -2,-0.3 25,-2.4 98,-0.2 2,-0.5 -0.984 12.3-154.2-138.2 143.1 106.4 -6.2 14.7 5 5 A L E +AB 101 28A 0 96,-1.9 96,-1.5 -2,-0.3 2,-0.4 -0.980 34.5 173.2-113.9 115.6 107.4 -6.0 11.0 6 6 A K E -AB 100 27A 61 21,-3.2 21,-2.0 -2,-0.5 2,-0.4 -0.963 23.9-161.7-141.3 141.1 104.5 -6.9 8.8 7 7 A Y E -AB 99 26A 1 92,-2.3 92,-2.0 -2,-0.4 2,-0.4 -0.854 3.3-162.0-114.0 147.5 103.3 -6.9 5.2 8 8 A F E -AB 98 25A 23 17,-2.1 17,-2.0 -2,-0.4 2,-0.4 -0.992 12.2-170.6-122.9 124.1 99.9 -7.0 3.7 9 9 A H E -AB 97 24A 0 88,-2.7 88,-2.0 -2,-0.4 2,-0.4 -0.911 4.6-178.6-120.2 143.3 99.5 -8.1 -0.0 10 10 A T E -AB 96 23A 6 13,-2.7 13,-3.0 -2,-0.4 2,-0.4 -0.999 5.6-173.9-140.5 137.8 96.4 -7.9 -2.2 11 11 A S E -AB 95 22A 0 84,-1.9 84,-2.1 -2,-0.4 2,-0.5 -0.998 6.9-168.4-130.9 129.7 95.9 -9.0 -5.7 12 12 A V E -AB 94 21A 17 9,-2.8 9,-1.9 -2,-0.4 82,-0.2 -0.972 18.2-130.1-124.4 128.4 92.7 -8.3 -7.4 13 13 A S - 0 0 18 80,-3.2 6,-0.1 -2,-0.5 5,-0.1 -0.444 13.0-159.9 -75.8 139.7 91.7 -9.8 -10.8 14 14 A R - 0 0 75 4,-0.6 78,-0.1 1,-0.2 -1,-0.1 -0.693 5.2-171.0-119.3 83.6 90.5 -7.5 -13.5 15 15 A P S > S+ 0 0 52 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.862 82.9 29.5 -32.2 -84.3 88.5 -9.5 -16.1 16 16 A G T 3 S+ 0 0 83 1,-0.2 2,-1.3 74,-0.2 -2,-0.1 0.925 121.6 50.5 -46.3 -58.7 88.1 -6.9 -18.9 17 17 A R T 3 S- 0 0 82 1,-0.2 -1,-0.2 2,-0.0 -3,-0.1 -0.312 99.1-132.5 -84.0 50.2 91.3 -4.9 -18.3 18 18 A G < + 0 0 48 -2,-1.3 -4,-0.6 -3,-0.8 -1,-0.2 0.169 69.3 52.0 43.6-145.2 93.9 -7.7 -18.2 19 19 A E S S- 0 0 95 1,-0.1 -2,-0.0 -6,-0.1 56,-0.0 0.149 85.2-107.7 -29.0 118.6 96.6 -8.2 -15.6 20 20 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.053 29.8-106.6 -56.3 151.4 95.4 -8.1 -12.0 21 21 A R E -B 12 0A 69 -9,-1.9 -9,-2.8 16,-0.0 2,-0.5 -0.556 35.6-166.1 -74.7 129.8 96.1 -5.3 -9.6 22 22 A F E +B 11 0A 1 -2,-0.3 16,-2.4 -11,-0.2 2,-0.4 -0.968 8.0 179.7-126.4 127.0 98.6 -6.1 -7.1 23 23 A I E -BC 10 37A 8 -13,-3.0 -13,-2.7 -2,-0.5 2,-0.4 -0.936 4.8-178.1-123.7 149.3 99.3 -4.0 -4.0 24 24 A S E +BC 9 36A 2 12,-2.6 12,-3.4 -2,-0.4 2,-0.4 -0.981 1.3 179.6-148.5 119.7 101.7 -4.5 -1.3 25 25 A V E -BC 8 35A 1 -17,-2.0 -17,-2.1 -2,-0.4 2,-0.3 -0.995 11.9-156.0-127.5 129.9 102.2 -2.3 1.9 26 26 A G E -BC 7 34A 0 8,-1.4 7,-1.7 -2,-0.4 8,-0.8 -0.758 8.4-163.8-106.3 153.9 104.7 -2.9 4.7 27 27 A Y E -BC 6 32A 29 -21,-2.0 -21,-3.2 -2,-0.3 2,-0.6 -0.988 27.9-158.0-141.8 143.4 104.6 -1.9 8.3 28 28 A V E > S-BC 5 31A 0 3,-2.6 3,-2.3 -2,-0.3 -23,-0.2 -0.990 87.5 -53.1-116.9 117.2 106.9 -1.5 11.4 29 29 A D T 3 S- 0 0 32 -25,-2.4 2,-0.3 -2,-0.6 -1,-0.3 0.591 122.6 -15.3 1.3 123.8 103.9 -1.6 13.9 30 30 A D T 3 S+ 0 0 80 -3,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.407 118.8 95.4 58.6 -10.8 101.3 1.0 13.0 31 31 A T E < -C 28 0A 30 -3,-2.3 -3,-2.6 -2,-0.3 2,-0.3 -0.987 65.4-145.8-122.1 123.7 103.7 2.8 10.6 32 32 A Q E +C 27 0A 39 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.656 24.9 167.0 -81.4 135.2 103.7 2.2 6.9 33 33 A F E + 0 0 0 -7,-1.7 15,-4.0 -2,-0.3 16,-1.4 0.595 59.1 17.1-128.5 -12.8 107.1 2.5 5.6 34 34 A V E -CD 26 47A 1 -8,-0.8 -8,-1.4 13,-0.3 -1,-0.3 -0.920 56.5-178.1-147.3 165.6 107.1 1.0 2.0 35 35 A R E -CD 25 46A 31 11,-1.4 11,-2.3 -2,-0.3 2,-0.4 -0.929 12.8-154.0-164.0 150.3 104.5 0.1 -0.5 36 36 A F E +CD 24 45A 2 -12,-3.4 -12,-2.6 -2,-0.3 2,-0.4 -0.990 12.4 179.5-126.2 134.4 104.4 -1.5 -4.0 37 37 A D E -C 23 0A 12 7,-0.6 3,-0.3 5,-0.4 -14,-0.2 -0.828 19.3-161.7-138.6 104.4 101.6 -0.8 -6.3 38 38 A N S S+ 0 0 29 -16,-2.4 -15,-0.1 -2,-0.4 -1,-0.1 0.587 97.8 51.5 -61.4 -1.1 101.8 -2.5 -9.7 39 39 A D S S+ 0 0 75 -17,-0.3 -1,-0.2 3,-0.1 -16,-0.1 0.817 85.0 104.6-101.4 -40.3 99.3 0.2 -10.7 40 40 A A S S- 0 0 20 -3,-0.3 -3,-0.0 2,-0.2 -4,-0.0 0.240 91.3-103.2 -33.6 159.6 101.1 3.2 -9.5 41 41 A A S S+ 0 0 115 1,-0.3 -1,-0.2 2,-0.0 -3,-0.0 0.707 122.0 46.9 -66.9 -12.3 102.7 5.5 -12.0 42 42 A S S S- 0 0 58 -5,-0.2 2,-3.1 2,-0.1 -5,-0.4 -0.895 74.9-159.2-130.9 97.6 105.9 3.8 -10.7 43 43 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.453 63.0 105.2 -76.1 68.1 105.5 -0.1 -10.5 44 44 A R S S- 0 0 73 -2,-3.1 -7,-0.6 -7,-0.2 2,-0.6 -0.904 84.3 -96.0-142.1 162.8 108.4 -0.1 -8.0 45 45 A M E -D 36 0A 2 15,-0.5 -9,-0.2 -2,-0.3 19,-0.2 -0.767 50.6-171.8 -84.7 125.0 108.8 -0.5 -4.3 46 46 A V E -D 35 0A 31 -11,-2.3 -11,-1.4 -2,-0.6 2,-0.2 -0.852 25.8-107.5-121.1 152.8 108.8 3.0 -2.8 47 47 A P E -D 34 0A 48 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.526 25.3-175.3 -80.5 144.5 109.5 4.3 0.7 48 48 A R + 0 0 109 -15,-4.0 -14,-0.2 -2,-0.2 -16,-0.1 0.523 69.7 56.8-115.2 -11.8 106.4 5.6 2.5 49 49 A A S S- 0 0 10 -16,-1.4 4,-0.2 1,-0.1 -16,-0.1 -0.634 81.2-129.9-109.2 171.8 108.2 6.9 5.5 50 50 A P S > S+ 0 0 93 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.802 104.7 63.8 -94.3 -23.6 111.0 9.5 5.4 51 51 A W G > S+ 0 0 30 1,-0.3 3,-0.5 2,-0.2 125,-0.1 0.698 97.7 61.9 -67.0 -12.0 113.4 7.6 7.5 52 52 A M G > S+ 0 0 0 1,-0.2 3,-0.6 -19,-0.1 -1,-0.3 0.654 80.5 82.1 -85.7 -12.2 113.3 5.1 4.7 53 53 A E G < S+ 0 0 133 -3,-1.6 2,-0.3 1,-0.3 -1,-0.2 0.711 76.2 74.0 -61.8 -23.4 114.7 7.7 2.1 54 54 A Q G < S+ 0 0 66 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.3 -0.096 75.7 112.2 -86.8 36.3 118.1 6.9 3.4 55 55 A E < - 0 0 41 -3,-0.6 2,-0.2 -2,-0.3 -3,-0.0 -0.930 63.9-123.6-115.6 136.0 118.1 3.6 1.6 56 56 A G >> - 0 0 43 -2,-0.4 3,-1.3 1,-0.1 4,-0.9 -0.472 26.0-104.8 -82.5 147.6 120.3 2.7 -1.3 57 57 A S H 3> S+ 0 0 90 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.692 114.7 68.0 -26.9 -50.3 119.3 1.4 -4.8 58 58 A E H 3> S+ 0 0 157 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.955 104.9 43.8 -41.3 -63.5 120.3 -2.2 -4.0 59 59 A Y H <> S+ 0 0 6 -3,-1.3 4,-3.3 1,-0.2 5,-0.3 0.931 115.0 44.9 -48.6 -59.3 117.4 -2.3 -1.6 60 60 A W H X S+ 0 0 20 -4,-0.9 4,-1.8 2,-0.2 -15,-0.5 0.882 115.4 49.3 -58.2 -38.0 114.7 -0.7 -3.7 61 61 A D H X S+ 0 0 81 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.977 114.0 44.8 -63.1 -53.4 115.8 -2.8 -6.7 62 62 A R H X S+ 0 0 62 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.908 115.3 46.8 -56.6 -52.3 115.7 -6.0 -4.8 63 63 A E H X S+ 0 0 2 -4,-3.3 4,-2.4 -5,-0.3 -1,-0.2 0.826 109.1 56.4 -64.1 -29.7 112.4 -5.3 -3.1 64 64 A T H X S+ 0 0 3 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.952 107.6 46.7 -68.6 -47.2 111.0 -4.2 -6.4 65 65 A R H X S+ 0 0 39 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.981 110.5 55.2 -54.8 -52.3 111.8 -7.6 -7.9 66 66 A S H X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.902 111.1 43.3 -44.8 -49.1 110.4 -9.3 -4.8 67 67 A A H X S+ 0 0 0 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.932 113.6 50.7 -67.6 -40.5 107.1 -7.5 -5.2 68 68 A R H X S+ 0 0 116 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.908 110.2 50.3 -57.9 -44.7 107.1 -8.1 -8.9 69 69 A D H X S+ 0 0 28 -4,-3.5 4,-2.9 2,-0.2 -1,-0.2 0.900 111.6 47.5 -61.7 -46.6 107.7 -11.8 -8.5 70 70 A T H X S+ 0 0 2 -4,-2.1 4,-3.5 -5,-0.3 5,-0.4 0.944 108.2 54.5 -64.8 -47.9 104.9 -12.2 -5.9 71 71 A A H X S+ 0 0 12 -4,-3.4 4,-1.0 -5,-0.2 -1,-0.3 0.907 111.1 47.4 -53.1 -37.2 102.6 -10.3 -8.1 72 72 A Q H >X S+ 0 0 31 -4,-1.9 4,-1.7 2,-0.2 3,-0.6 0.968 114.2 43.4 -67.4 -52.2 103.5 -12.9 -10.8 73 73 A I H >X S+ 0 0 7 -4,-2.9 4,-4.3 1,-0.2 3,-0.6 0.954 112.4 56.1 -56.7 -50.9 103.0 -16.0 -8.5 74 74 A F H 3X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.797 106.1 50.8 -50.4 -29.0 99.8 -14.3 -7.2 75 75 A R H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 3,-0.9 0.946 112.4 46.4 -49.6 -51.8 94.7 -21.9 -10.0 81 81 A L H 3X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.3 -1,-0.2 0.859 104.2 58.9 -64.3 -29.1 92.0 -20.8 -7.6 82 82 A R H 3<>S+ 0 0 54 -4,-1.2 5,-4.3 -5,-0.3 -1,-0.3 0.880 111.0 47.3 -65.1 -25.3 89.6 -19.8 -10.3 83 83 A G H X<5S+ 0 0 41 -4,-1.8 3,-4.0 -3,-0.9 -2,-0.2 0.976 105.4 53.4 -75.8 -59.2 90.1 -23.5 -11.2 84 84 A Y H 3<5S+ 0 0 46 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.853 116.8 41.6 -48.1 -37.8 89.6 -25.1 -7.9 85 85 A Y T 3<5S- 0 0 64 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.279 109.9-123.9 -94.0 12.8 86.3 -23.3 -7.6 86 86 A N T < 5 + 0 0 155 -3,-4.0 2,-0.4 1,-0.2 -3,-0.2 0.950 51.7 177.0 47.9 61.3 85.4 -23.9 -11.2 87 87 A Q < - 0 0 50 -5,-4.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.851 35.7-112.0-111.7 140.4 85.0 -20.2 -11.7 88 88 A S > - 0 0 80 -2,-0.4 3,-1.0 1,-0.2 -1,-0.0 -0.319 20.7-137.8 -58.0 139.4 84.2 -18.0 -14.7 89 89 A E T 3 S+ 0 0 145 1,-0.2 -1,-0.2 -74,-0.0 -7,-0.0 0.411 95.7 75.8 -78.9 1.5 87.2 -15.8 -15.8 90 90 A A T 3 S+ 0 0 72 -75,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.520 82.7 75.8 -95.5 1.3 84.8 -13.0 -16.2 91 91 A G S < S- 0 0 30 -3,-1.0 2,-0.2 -76,-0.1 -4,-0.0 -0.763 81.5-113.3-110.6 156.9 84.4 -12.2 -12.5 92 92 A S - 0 0 48 -2,-0.3 2,-0.3 -78,-0.1 -78,-0.1 -0.606 32.7-176.7 -89.9 146.6 86.9 -10.4 -10.2 93 93 A H - 0 0 17 -2,-0.2 -80,-3.2 -80,-0.0 2,-0.5 -0.984 15.1-139.4-144.1 155.7 88.6 -12.2 -7.3 94 94 A T E -A 12 0A 4 -2,-0.3 25,-1.9 -82,-0.2 2,-0.6 -0.957 8.6-170.5-124.1 126.1 90.9 -11.2 -4.5 95 95 A L E -AE 11 118A 0 -84,-2.1 -84,-1.9 -2,-0.5 2,-0.4 -0.945 16.2-175.3-112.7 124.6 93.8 -13.0 -3.2 96 96 A Q E -AE 10 117A 0 21,-3.1 21,-2.2 -2,-0.6 2,-0.4 -0.930 7.6-173.6-120.0 152.1 95.2 -11.5 0.1 97 97 A W E -AE 9 116A 1 -88,-2.0 -88,-2.7 -2,-0.4 2,-0.4 -0.980 1.3-176.4-141.6 124.7 98.3 -12.5 2.0 98 98 A M E +AE 8 115A 6 17,-2.1 17,-2.1 -2,-0.4 2,-0.3 -0.966 9.5 165.1-124.8 140.9 99.4 -11.2 5.4 99 99 A H E +AE 7 114A 0 -92,-2.0 -92,-2.3 -2,-0.4 2,-0.3 -0.994 3.3 155.8-149.0 147.0 102.6 -12.1 7.2 100 100 A G E -AE 6 113A 0 13,-1.8 13,-2.6 -2,-0.3 2,-0.3 -0.989 25.5-141.1-165.1 163.1 104.6 -10.7 10.0 101 101 A a E -AE 5 112A 0 -96,-1.5 -96,-1.9 -2,-0.3 2,-0.4 -0.945 17.8-151.3-131.0 151.2 107.1 -11.4 12.8 102 102 A E E -A 4 0A 28 9,-2.4 8,-1.5 -2,-0.3 9,-0.5 -0.943 4.5-140.9-129.2 151.5 107.1 -10.1 16.4 103 103 A L E - 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