==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HISTOCOMPATIBILITY ANTIGEN 30-JUN-93 1HHG . COMPND 2 MOLECULE: CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-A*0201) . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.MADDEN,D.N.GARBOCZI,D.C.WILEY . 768 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 523 68.1 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 . 272 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 . 55 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 8.5 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 . 10 1.3 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 0 0 0 2 0 4 0 0 0 0 0 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 . 4 16 2 8 0 8 0 2 6 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 . 2 0 4 4 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 1 A G 0 0 35 0, 0.0 106,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 143.6 40.6 62.9 60.7 2 2 A S - 0 0 86 103,-0.1 2,-0.3 104,-0.1 102,-0.2 -0.581 360.0-154.9 -88.5 152.7 44.1 62.1 61.6 3 3 A H E -A 103 0A 24 100,-2.7 100,-2.6 -2,-0.2 2,-0.3 -0.969 10.8-167.1-135.2 156.6 45.5 59.1 59.6 4 4 A S E -A 102 0A 20 -2,-0.3 25,-2.1 98,-0.2 2,-0.5 -0.999 14.1-159.0-145.2 136.8 48.2 56.5 60.2 5 5 A M E +AB 101 28A 0 96,-2.8 96,-2.0 -2,-0.3 2,-0.3 -0.972 26.5 172.4-107.3 127.9 50.1 53.9 58.1 6 6 A R E -AB 100 27A 56 21,-2.0 21,-3.0 -2,-0.5 2,-0.4 -0.969 18.8-156.2-130.9 153.2 51.6 51.2 60.4 7 7 A Y E -AB 99 26A 0 92,-3.0 92,-2.2 -2,-0.3 2,-0.4 -0.984 7.3-161.5-130.4 137.6 53.4 47.9 59.5 8 8 A F E -AB 98 25A 26 17,-2.3 17,-1.9 -2,-0.4 2,-0.4 -0.951 7.1-175.8-120.9 130.9 53.6 45.0 61.9 9 9 A F E -AB 97 24A 0 88,-2.6 88,-2.3 -2,-0.4 2,-0.4 -0.990 3.1-170.0-131.8 138.9 56.1 42.1 61.5 10 10 A T E -AB 96 23A 2 13,-2.0 13,-1.7 -2,-0.4 2,-0.5 -0.991 1.7-173.4-130.4 122.1 56.3 39.0 63.7 11 11 A S E -AB 95 22A 1 84,-2.4 84,-2.6 -2,-0.4 2,-0.5 -0.971 4.8-179.3-116.1 127.4 59.2 36.5 63.6 12 12 A V E -AB 94 21A 19 9,-2.1 9,-2.6 -2,-0.5 82,-0.2 -0.973 20.2-138.1-123.7 121.2 58.9 33.3 65.6 13 13 A S - 0 0 17 80,-2.2 80,-0.2 -2,-0.5 6,-0.1 -0.384 8.1-160.4 -74.2 150.2 61.7 30.7 65.7 14 14 A R > - 0 0 33 4,-0.6 3,-0.5 78,-0.1 78,-0.1 -0.832 18.4-142.7-128.5 93.1 60.7 27.0 65.5 15 15 A P T 3 S+ 0 0 44 0, 0.0 2,-0.9 0, 0.0 75,-0.1 -0.356 86.1 0.3 -58.8 131.5 63.8 25.1 66.8 16 16 A G T 3 S+ 0 0 88 73,-0.1 2,-0.7 1,-0.1 3,-0.1 -0.060 117.3 88.1 79.5 -32.1 64.2 21.9 64.7 17 17 A R S < S- 0 0 168 -2,-0.9 -1,-0.1 -3,-0.5 2,-0.1 -0.163 97.2-100.7-104.2 48.3 61.1 22.9 62.6 18 18 A G S S- 0 0 45 -2,-0.7 -4,-0.6 -5,-0.0 -1,-0.2 -0.245 70.2 -5.5 83.3-166.0 62.8 24.9 60.0 19 19 A E S S- 0 0 120 1,-0.1 56,-0.0 -6,-0.1 0, 0.0 -0.246 84.4 -93.4 -53.3 149.4 63.4 28.5 59.3 20 20 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.125 41.3-106.5 -59.5 167.8 61.5 31.0 61.6 21 21 A R E -B 12 0A 87 -9,-2.6 -9,-2.1 -3,-0.1 2,-0.4 -0.879 30.2-170.3-102.4 139.0 58.1 32.3 60.6 22 22 A F E -B 11 0A 1 -2,-0.4 16,-2.3 -11,-0.2 2,-0.4 -0.998 4.0-178.5-125.0 121.5 57.7 35.9 59.5 23 23 A I E -BC 10 37A 14 -13,-1.7 -13,-2.0 -2,-0.4 2,-0.4 -0.977 7.9-172.4-114.0 135.9 54.1 37.3 59.1 24 24 A A E +BC 9 36A 0 12,-2.9 12,-1.8 -2,-0.4 2,-0.3 -0.998 7.9 171.8-131.4 137.6 53.9 40.9 57.8 25 25 A V E -BC 8 35A 0 -17,-1.9 -17,-2.3 -2,-0.4 2,-0.3 -0.948 15.0-153.7-137.7 151.8 50.8 43.0 57.6 26 26 A G E -BC 7 34A 0 8,-1.4 7,-1.7 -2,-0.3 8,-1.0 -0.918 10.8-165.2-121.8 156.6 50.3 46.6 56.8 27 27 A Y E -BC 6 32A 33 -21,-3.0 -21,-2.0 -2,-0.3 2,-0.4 -0.980 18.6-162.3-141.9 147.1 47.5 48.9 57.9 28 28 A V E > S-BC 5 31A 0 3,-2.9 3,-2.1 -2,-0.3 -23,-0.2 -0.979 80.0 -40.5-124.6 131.7 46.1 52.3 57.0 29 29 A D T 3 S- 0 0 26 -25,-2.1 -23,-0.1 -2,-0.4 -26,-0.1 -0.202 124.2 -29.9 35.8-120.4 43.8 53.5 59.8 30 30 A D T 3 S+ 0 0 63 -3,-0.1 2,-0.5 209,-0.1 -1,-0.3 0.497 119.3 101.1 -99.5 7.5 41.9 50.4 60.9 31 31 A T E < -C 28 0A 20 -3,-2.1 -3,-2.9 148,-0.0 2,-0.4 -0.706 64.6-145.8 -92.1 120.1 42.0 48.9 57.4 32 32 A Q E +C 27 0A 29 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.701 22.2 173.6 -74.7 133.9 44.5 46.2 56.8 33 33 A F E + 0 0 0 -7,-1.7 15,-2.7 -2,-0.4 16,-0.6 0.693 53.1 23.4-121.1 -19.5 45.8 46.4 53.2 34 34 A V E -CD 26 47A 0 -8,-1.0 -8,-1.4 13,-0.3 2,-0.3 -0.938 53.9-174.2-142.0 163.7 48.6 43.9 52.7 35 35 A R E -CD 25 46A 65 11,-1.9 11,-2.8 -2,-0.3 2,-0.3 -0.982 10.3-174.0-151.0 164.2 50.1 40.7 54.0 36 36 A F E -C 24 0A 2 -12,-1.8 -12,-2.9 -2,-0.3 2,-0.4 -0.938 8.4-175.8-150.5 137.3 53.1 38.3 53.7 37 37 A D E > -C 23 0A 33 -2,-0.3 3,-2.0 7,-0.3 6,-0.4 -0.951 21.9-144.6-140.4 123.1 53.3 34.9 55.5 38 38 A S T 3 S+ 0 0 18 -16,-2.3 -1,-0.1 -2,-0.4 -15,-0.1 0.880 98.9 56.9 -48.7 -45.8 56.4 32.8 55.3 39 39 A D T 3 S+ 0 0 70 -17,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.401 87.0 113.1 -77.9 8.8 54.5 29.5 55.4 40 40 A A < - 0 0 28 -3,-2.0 -3,-0.0 1,-0.1 0, 0.0 -0.481 69.7-134.1 -84.6 151.6 52.5 30.5 52.3 41 41 A A S S+ 0 0 108 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.966 102.1 59.6 -56.6 -53.1 52.5 28.9 48.8 42 42 A S S S- 0 0 49 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.794 74.1-163.4 -40.2 -60.9 52.6 32.3 47.2 43 43 A Q + 0 0 82 -6,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.778 56.2 108.6 61.8 32.6 55.8 33.9 48.7 44 44 A R S S- 0 0 87 -7,-0.1 2,-0.5 23,-0.0 -7,-0.3 -0.844 83.3 -99.0-131.3 164.1 54.5 37.3 47.6 45 45 A M - 0 0 3 15,-0.6 -9,-0.2 -2,-0.3 19,-0.1 -0.751 49.5-155.3 -80.1 129.7 53.1 40.4 49.2 46 46 A E E -D 35 0A 45 -11,-2.8 -11,-1.9 -2,-0.5 2,-0.1 -0.819 13.7-114.7-109.8 149.8 49.4 39.9 48.8 47 47 A P E +D 34 0A 47 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.524 26.9 178.8 -71.7 149.2 46.6 42.5 48.8 48 48 A R + 0 0 91 -15,-2.7 -14,-0.2 1,-0.2 -16,-0.2 0.108 68.2 50.7-135.8 17.3 44.1 42.5 51.7 49 49 A A S >> S- 0 0 6 -16,-0.6 3,-1.6 -18,-0.1 4,-0.8 -0.964 83.7-123.2-147.9 146.1 41.9 45.5 50.8 50 50 A P H 3> S+ 0 0 87 0, 0.0 4,-0.7 0, 0.0 3,-0.5 0.839 104.5 64.5 -67.3 -28.8 40.3 46.1 47.3 51 51 A W H 34 S+ 0 0 24 1,-0.2 4,-0.1 2,-0.2 125,-0.1 0.595 101.0 48.2 -74.0 -9.1 41.9 49.5 46.8 52 52 A I H X4 S+ 0 0 0 -3,-1.6 3,-1.9 -19,-0.1 4,-0.2 0.689 92.3 79.5-101.2 -14.8 45.5 48.2 46.7 53 53 A E H 3< S+ 0 0 85 -4,-0.8 3,-0.3 -3,-0.5 -2,-0.2 0.867 86.0 58.0 -59.0 -39.2 44.9 45.3 44.2 54 54 A Q T 3< S+ 0 0 167 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.722 79.2 103.6 -67.5 -18.6 44.9 47.6 41.2 55 55 A E S < S- 0 0 42 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.1 0.767 77.1-112.5 -42.1 -72.1 48.5 48.8 42.1 56 56 A G > - 0 0 20 -3,-0.3 4,-2.5 -4,-0.2 5,-0.3 -0.699 21.8 -79.0 149.7 156.0 50.7 46.9 39.6 57 57 A P H > S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 126.7 52.7 -51.3 -43.3 53.4 44.2 38.9 58 58 A E H > S+ 0 0 161 2,-0.2 4,-3.0 3,-0.2 5,-0.3 0.966 110.5 46.2 -56.0 -54.4 56.1 46.7 40.0 59 59 A Y H > S+ 0 0 15 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.946 116.5 43.9 -53.5 -57.8 54.3 47.4 43.3 60 60 A W H X S+ 0 0 25 -4,-2.5 4,-1.2 1,-0.2 -15,-0.6 0.822 115.6 48.3 -63.0 -30.0 53.7 43.9 44.1 61 61 A D H X S+ 0 0 78 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.948 111.4 47.4 -75.8 -51.0 57.2 42.8 43.1 62 62 A G H X S+ 0 0 14 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.891 112.1 50.0 -57.7 -41.9 59.1 45.4 45.0 63 63 A E H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.843 111.2 49.9 -70.0 -29.7 57.1 44.8 48.2 64 64 A T H X S+ 0 0 7 -4,-1.2 4,-1.6 -5,-0.2 -1,-0.2 0.824 111.5 50.4 -69.1 -34.9 57.8 41.1 47.9 65 65 A R H X S+ 0 0 151 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.989 115.6 40.5 -65.0 -57.1 61.4 41.9 47.5 66 66 A K H X S+ 0 0 22 -4,-2.8 4,-2.9 1,-0.2 3,-0.3 0.918 112.2 53.7 -61.4 -49.4 61.5 44.1 50.5 67 67 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.884 109.6 50.4 -59.5 -32.8 59.3 41.9 52.8 68 68 A K H X S+ 0 0 87 -4,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.853 109.3 49.6 -75.5 -29.2 61.6 39.0 52.0 69 69 A A H X S+ 0 0 40 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.922 111.2 50.5 -72.1 -35.2 64.7 41.1 52.9 70 70 A H H X S+ 0 0 11 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.850 107.5 55.6 -64.8 -36.0 62.8 42.0 56.2 71 71 A S H X S+ 0 0 15 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.980 108.7 45.6 -59.8 -55.8 62.2 38.4 56.7 72 72 A Q H >X S+ 0 0 103 -4,-2.3 3,-0.9 1,-0.2 4,-0.8 0.905 111.2 51.3 -60.6 -45.8 65.9 37.6 56.5 73 73 A T H >X S+ 0 0 15 -4,-2.5 4,-3.0 1,-0.3 3,-1.8 0.944 108.5 52.7 -56.3 -44.8 66.9 40.5 58.8 74 74 A H H 3X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.3 -1,-0.3 0.760 109.9 48.7 -68.0 -18.9 64.4 39.4 61.5 75 75 A R H << S+ 0 0 91 -4,-1.3 4,-0.3 -3,-0.9 -1,-0.3 0.541 110.4 48.1 -97.6 -2.6 65.8 35.9 61.4 76 76 A V H XX S+ 0 0 81 -3,-1.8 4,-2.1 -4,-0.8 3,-0.5 0.748 111.8 54.2 -85.1 -41.2 69.4 37.2 61.7 77 77 A D H 3X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.942 102.4 57.4 -55.8 -51.7 68.0 39.3 64.6 78 78 A L H 3X S+ 0 0 13 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.804 108.8 43.2 -51.9 -36.5 66.6 36.2 66.2 79 79 A G H <> S+ 0 0 39 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.892 112.6 52.8 -78.2 -40.9 70.0 34.4 66.5 80 80 A T H X S+ 0 0 38 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.936 109.0 50.4 -57.6 -46.5 71.8 37.6 67.6 81 81 A L H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.873 106.2 54.8 -65.4 -33.1 69.2 37.9 70.4 82 82 A R H <>S+ 0 0 84 -4,-1.2 5,-2.1 -5,-0.3 4,-0.3 0.933 112.5 44.6 -61.7 -45.0 69.8 34.3 71.4 83 83 A G H ><5S+ 0 0 36 -4,-2.2 3,-1.7 2,-0.2 -2,-0.2 0.957 108.6 54.7 -63.3 -50.9 73.5 35.3 71.7 84 84 A Y H 3<5S+ 0 0 76 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 122.6 31.1 -55.8 -27.3 72.8 38.5 73.6 85 85 A Y T 3<5S- 0 0 68 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.338 104.8-132.3-112.6 12.5 70.8 36.4 76.1 86 86 A N T < 5 + 0 0 148 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.2 0.902 47.3 166.2 23.8 66.1 73.0 33.3 75.7 87 87 A Q < - 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