==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 08-DEC-10 3PWN . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.Y.BORBULEVYCH,B.M.BAKER . 768 6 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 65.4 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 35.2 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 . 47 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 7.2 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 . 8 1.0 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 0 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 . 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 14 4 4 0 8 0 4 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 . 0 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 45 0, 0.0 106,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -58.3 -6.1 18.6 35.7 2 2 A S - 0 0 44 104,-0.1 2,-0.3 105,-0.0 102,-0.2 -0.337 360.0-165.8 -83.8 155.7 -9.5 17.2 34.7 3 3 A H E -A 103 0A 22 100,-2.0 100,-2.8 101,-0.1 2,-0.3 -0.932 7.9-162.0-141.2 160.8 -11.3 14.2 36.2 4 4 A S E -A 102 0A 7 -2,-0.3 25,-2.4 98,-0.2 2,-0.4 -0.981 12.3-155.4-142.3 149.8 -14.1 11.8 35.6 5 5 A M E +AB 101 28A 0 96,-2.2 96,-1.5 -2,-0.3 2,-0.4 -0.997 27.2 174.6-117.6 131.9 -16.2 9.3 37.5 6 6 A R E -AB 100 27A 49 21,-2.4 21,-2.9 -2,-0.4 2,-0.4 -1.000 20.2-158.4-139.2 141.7 -17.8 6.6 35.2 7 7 A Y E -AB 99 26A 1 92,-2.6 92,-2.0 -2,-0.4 2,-0.4 -0.945 11.2-163.2-117.4 140.1 -19.8 3.4 35.9 8 8 A F E -AB 98 25A 21 17,-2.6 17,-2.3 -2,-0.4 2,-0.4 -0.990 6.1-174.0-127.2 128.9 -19.9 0.7 33.3 9 9 A F E -AB 97 24A 0 88,-2.8 88,-2.1 -2,-0.4 2,-0.4 -0.983 3.8-176.3-132.0 135.1 -22.6 -2.1 33.2 10 10 A T E -AB 96 23A 2 13,-2.3 13,-2.3 -2,-0.4 2,-0.4 -0.988 1.3-176.4-133.2 127.4 -22.8 -5.1 31.0 11 11 A S E -AB 95 22A 1 84,-2.9 84,-2.7 -2,-0.4 2,-0.5 -0.985 5.2-172.3-124.2 131.1 -25.6 -7.7 31.0 12 12 A V E -AB 94 21A 8 9,-2.4 9,-2.3 -2,-0.4 82,-0.2 -0.970 17.7-134.8-126.2 124.8 -25.4 -10.7 28.7 13 13 A S - 0 0 22 80,-2.4 6,-0.1 -2,-0.5 62,-0.0 -0.427 10.3-158.2 -75.4 151.8 -28.2 -13.2 28.2 14 14 A R > - 0 0 57 4,-0.5 3,-2.7 78,-0.1 78,-0.1 -0.739 19.0-135.3-134.3 81.4 -27.4 -16.9 28.3 15 15 A P T 3 S- 0 0 29 0, 0.0 77,-0.1 0, 0.0 4,-0.1 -0.121 84.1 -14.5 -48.6 112.9 -30.1 -18.9 26.4 16 16 A G T 3 S+ 0 0 80 2,-0.1 3,-0.1 1,-0.1 74,-0.0 0.529 116.3 94.2 68.6 9.0 -31.0 -22.0 28.4 17 17 A R S < S- 0 0 155 -3,-2.7 -1,-0.1 1,-0.5 2,-0.1 -0.180 97.8 -98.2-119.6 33.8 -27.9 -21.6 30.7 18 18 A G - 0 0 56 3,-0.0 -4,-0.5 -5,-0.0 -1,-0.5 -0.333 69.5 -8.6 87.7-161.6 -29.8 -19.6 33.3 19 19 A E S S- 0 0 120 1,-0.1 -7,-0.0 -6,-0.1 56,-0.0 -0.189 83.3 -78.2 -74.8 160.2 -30.2 -16.0 34.1 20 20 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.203 40.6-118.1 -59.9 147.2 -28.1 -13.2 32.5 21 21 A R E -B 12 0A 82 -9,-2.3 -9,-2.4 -3,-0.1 2,-0.4 -0.731 32.5-166.0 -80.1 132.0 -24.5 -12.4 33.6 22 22 A F E +B 11 0A 1 -2,-0.4 16,-2.9 -11,-0.2 2,-0.4 -0.994 9.6 179.5-124.5 129.3 -24.2 -8.9 35.0 23 23 A I E -BC 10 37A 15 -13,-2.3 -13,-2.3 -2,-0.4 2,-0.4 -0.999 2.4-175.4-128.8 127.9 -20.9 -7.1 35.6 24 24 A A E +BC 9 36A 1 12,-2.7 12,-2.3 -2,-0.4 2,-0.3 -0.984 3.9 176.8-121.4 137.6 -20.6 -3.6 37.0 25 25 A V E -BC 8 35A 1 -17,-2.3 -17,-2.6 -2,-0.4 2,-0.4 -0.981 13.2-154.0-135.6 148.0 -17.4 -1.6 37.4 26 26 A G E -BC 7 34A 0 8,-2.0 7,-2.8 -2,-0.3 8,-1.2 -0.978 12.5-171.4-121.8 139.2 -16.7 1.9 38.6 27 27 A Y E -BC 6 32A 28 -21,-2.9 -21,-2.4 -2,-0.4 2,-0.5 -0.965 22.0-155.9-125.8 145.1 -13.7 4.1 37.6 28 28 A V E > S-BC 5 31A 0 3,-2.7 3,-2.5 -2,-0.3 -23,-0.2 -0.998 82.2 -45.8-108.8 120.6 -12.3 7.5 38.7 29 29 A D T 3 S- 0 0 21 -25,-2.4 -23,-0.1 -2,-0.5 -26,-0.1 -0.345 124.7 -24.8 54.1-126.6 -10.2 8.5 35.7 30 30 A D T 3 S+ 0 0 61 149,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.060 118.9 98.8 -99.9 25.6 -8.3 5.4 34.6 31 31 A T E < -C 28 0A 21 -3,-2.5 -3,-2.7 148,-0.0 2,-0.2 -0.954 66.5-142.1-118.4 114.2 -8.3 3.8 38.1 32 32 A Q E +C 27 0A 28 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.548 25.0 169.6 -71.3 140.6 -11.0 1.1 38.9 33 33 A F E + 0 0 0 -7,-2.8 15,-2.3 1,-0.3 16,-0.7 0.593 56.3 23.8-126.4 -17.7 -12.4 1.4 42.4 34 34 A V E -CD 26 47A 1 -8,-1.2 -8,-2.0 13,-0.3 -1,-0.3 -0.984 53.7-176.6-145.7 156.1 -15.4 -1.0 42.6 35 35 A R E -CD 25 46A 68 11,-1.7 11,-3.0 -2,-0.3 2,-0.3 -0.990 8.2-170.2-146.4 156.1 -16.9 -4.1 41.0 36 36 A F E -C 24 0A 2 -12,-2.3 -12,-2.7 -2,-0.3 2,-0.4 -0.975 5.4-173.7-139.4 134.5 -20.0 -6.3 41.1 37 37 A D E > -C 23 0A 38 7,-0.3 3,-2.1 -2,-0.3 6,-0.3 -0.966 17.3-152.7-129.9 116.1 -20.2 -9.7 39.3 38 38 A S T 3 S+ 0 0 14 -16,-2.9 -15,-0.1 -2,-0.4 -1,-0.1 0.759 97.7 54.8 -58.1 -26.4 -23.7 -11.5 39.5 39 39 A D T 3 S+ 0 0 80 -17,-0.3 -1,-0.3 -3,-0.1 -16,-0.1 0.541 88.7 100.8 -82.6 -8.5 -21.9 -14.8 39.1 40 40 A A S < S- 0 0 34 -3,-2.1 3,-0.2 1,-0.1 0, 0.0 -0.320 76.5-123.6 -83.0 161.8 -19.5 -14.4 42.1 41 41 A A S S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.855 101.0 61.3 -72.4 -35.5 -20.0 -15.9 45.5 42 42 A S S S- 0 0 50 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.811 76.8-155.7 -64.4 -35.7 -20.0 -12.7 47.6 43 43 A Q + 0 0 70 -6,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.832 56.3 117.2 55.1 34.5 -23.1 -11.0 46.0 44 44 A R S S- 0 0 93 -7,-0.1 2,-0.4 23,-0.0 -7,-0.3 -0.953 78.3-107.3-127.2 149.5 -21.5 -7.7 47.2 45 45 A M - 0 0 6 15,-0.4 -9,-0.2 -2,-0.3 19,-0.2 -0.662 50.6-153.2 -67.3 129.0 -20.2 -4.6 45.7 46 46 A E E -D 35 0A 50 -11,-3.0 -11,-1.7 -2,-0.4 2,-0.2 -0.862 11.9-114.6-116.8 140.0 -16.4 -5.1 46.2 47 47 A P E +D 34 0A 54 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.494 28.0 173.7 -70.0 146.4 -13.5 -2.6 46.6 48 48 A R + 0 0 92 -15,-2.3 -14,-0.2 1,-0.2 -16,-0.1 0.191 64.8 56.9-136.5 10.5 -10.9 -2.6 43.9 49 49 A A S >> S- 0 0 3 -16,-0.7 3,-1.4 1,-0.1 4,-0.6 -0.994 78.8-127.9-141.5 141.3 -8.8 0.3 45.0 50 50 A P G >4 S+ 0 0 98 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.885 105.2 57.2 -57.4 -37.5 -7.1 0.9 48.4 51 51 A W G 34 S+ 0 0 12 1,-0.3 3,-0.3 2,-0.2 125,-0.1 0.641 100.3 56.5 -75.0 -11.7 -8.6 4.3 49.0 52 52 A I G X4 S+ 0 0 0 -3,-1.4 3,-1.9 1,-0.2 -1,-0.3 0.672 87.1 81.4 -88.2 -15.8 -12.2 3.1 48.7 53 53 A E T << S+ 0 0 126 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.811 79.6 65.7 -61.0 -28.9 -11.7 0.6 51.5 54 54 A Q T 3 S+ 0 0 126 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.516 74.7 113.8 -72.7 -10.3 -12.2 3.2 54.2 55 55 A E S < S- 0 0 14 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.427 71.3-112.4 -63.5 140.7 -15.8 3.7 53.2 56 56 A G >> - 0 0 27 -2,-0.1 4,-1.7 1,-0.1 3,-0.6 -0.074 25.7 -95.0 -73.9 174.1 -18.1 2.5 55.9 57 57 A P H 3> S+ 0 0 87 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.830 122.2 59.3 -60.3 -31.5 -20.6 -0.4 56.1 58 58 A E H 3> S+ 0 0 149 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.873 104.4 51.8 -64.1 -39.8 -23.5 1.9 55.0 59 59 A Y H <> S+ 0 0 17 -3,-0.6 4,-3.0 2,-0.2 5,-0.2 0.957 113.6 42.3 -58.8 -53.2 -21.6 2.6 51.8 60 60 A W H X S+ 0 0 29 -4,-1.7 4,-2.1 1,-0.2 -15,-0.4 0.895 116.0 47.7 -66.3 -40.8 -21.1 -1.1 51.0 61 61 A D H X S+ 0 0 90 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.929 116.1 44.9 -62.8 -44.6 -24.6 -2.1 52.0 62 62 A G H X S+ 0 0 12 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.884 112.8 48.9 -71.4 -42.1 -26.1 0.7 49.9 63 63 A E H X S+ 0 0 3 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.866 111.8 50.8 -62.2 -36.2 -23.9 0.2 46.9 64 64 A T H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.943 111.3 48.6 -63.5 -45.3 -24.7 -3.6 47.0 65 65 A R H X S+ 0 0 160 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.924 115.3 43.8 -59.8 -46.8 -28.5 -2.8 47.2 66 66 A K H X S+ 0 0 20 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.888 112.6 50.3 -69.7 -38.4 -28.3 -0.3 44.3 67 67 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.895 109.7 51.4 -72.8 -33.9 -26.1 -2.5 42.0 68 68 A K H X S+ 0 0 80 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.875 108.5 52.1 -63.7 -38.7 -28.4 -5.4 42.5 69 69 A A H X S+ 0 0 37 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.933 110.1 48.2 -62.9 -45.6 -31.4 -3.2 41.6 70 70 A H H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.917 109.8 54.5 -56.5 -46.2 -29.4 -2.2 38.3 71 71 A S H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.941 109.5 45.8 -55.1 -46.6 -28.8 -5.9 37.8 72 72 A Q H X S+ 0 0 95 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 110.7 53.0 -66.6 -38.6 -32.5 -6.7 38.0 73 73 A T H X S+ 0 0 4 -4,-2.2 4,-2.9 1,-0.2 313,-0.2 0.911 109.3 48.8 -60.1 -43.3 -33.5 -3.8 35.7 74 74 A H H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.824 106.6 56.7 -74.1 -29.9 -31.1 -5.0 33.0 75 75 A R H X S+ 0 0 61 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.937 110.6 44.0 -59.0 -47.5 -32.4 -8.5 33.3 76 76 A V H >X S+ 0 0 69 -4,-2.0 4,-2.3 1,-0.2 3,-0.5 0.938 109.5 58.3 -62.6 -42.2 -35.9 -7.1 32.5 77 77 A D H 3X S+ 0 0 2 -4,-2.9 4,-3.2 1,-0.3 5,-0.2 0.852 98.3 58.5 -59.3 -39.6 -34.4 -4.9 29.7 78 78 A L H 3X S+ 0 0 12 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.918 109.9 43.7 -59.9 -39.7 -33.0 -8.0 27.9 79 79 A G H S+ 0 0 98 -4,-1.8 5,-2.5 -5,-0.2 4,-0.5 0.911 111.4 47.1 -52.0 -43.4 -36.1 -9.1 22.5 83 83 A G H ><5S+ 0 0 50 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.932 110.1 50.9 -65.4 -47.4 -39.8 -7.9 22.2 84 84 A Y H 3<5S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.873 120.4 34.4 -61.0 -34.9 -38.9 -4.6 20.6 85 85 A Y H 3<5S- 0 0 69 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.355 105.9-122.8-103.7 6.8 -36.7 -6.3 17.9 86 86 A N T <<5 + 0 0 152 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.890 54.7 163.1 52.7 49.3 -38.8 -9.4 17.6 87 87 A Q < - 0 0 52 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.1 -0.673 30.5-127.0-101.0 155.5 -35.8 -11.6 18.4 88 88 A S - 0 0 67 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 -0.232 23.1-108.7 -91.3 178.7 -35.9 -15.2 19.5 89 89 A E S S+ 0 0 137 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.361 97.5 91.2 -84.2 4.2 -34.5 -17.1 22.5 90 90 A A S S+ 0 0 92 2,-0.0 2,-0.3 -74,-0.0 -1,-0.2 0.835 83.4 51.4 -70.2 -27.6 -31.9 -18.8 20.2 91 91 A G S S- 0 0 28 -3,-0.4 2,-0.3 -77,-0.0 -77,-0.0 -0.719 77.3-117.8-120.3 153.2 -29.2 -16.2 20.7 92 92 A S - 0 0 43 -2,-0.3 2,-0.3 -78,-0.1 -78,-0.1 -0.653 32.7-167.1 -82.6 146.2 -27.3 -14.4 23.4 93 93 A H - 0 0 13 -2,-0.3 -80,-2.4 2,-0.0 2,-0.4 -0.919 8.9-140.3-134.8 163.1 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6,-0.2 -0.913 18.6-123.2-123.6 157.1 -15.0 18.0 36.2 104 104 A G > - 0 0 3 4,-2.3 3,-2.1 -2,-0.3 -101,-0.1 -0.134 44.4 -80.8 -85.2-173.4 -12.4 20.5 35.2 105 105 A S T 3 S+ 0 0 55 1,-0.3 -1,-0.1 2,-0.1 448,-0.0 0.753 135.3 53.8 -56.1 -28.2 -9.0 21.3 36.9 106 106 A D T 3 S- 0 0 67 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.301 116.7-119.8 -88.4 3.9 -11.0 23.4 39.3 107 107 A W < + 0 0 53 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.572 67.6 137.1 64.3 18.9 -13.2 20.4 40.1 108 108 A R - 0 0 75 1,-0.1 -4,-2.3 2,-0.0 -1,-0.3 -0.715 67.0 -83.3 -89.1 151.0 -16.4 22.1 38.9 109 109 A F E +E 103 0A 47 -2,-0.3 -6,-0.3 -6,-0.2 -1,-0.1 -0.175 46.8 170.9 -53.0 134.7 -18.8 20.2 36.8 110 110 A L E - 0 0 8 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.800 61.1 -25.0-108.5 -60.0 -18.0 20.1 33.0 111 111 A R E -E 102 0A 58 -9,-1.0 -9,-2.7 49,-0.1 -1,-0.4 -0.978 49.7-143.8-155.0 158.4 -20.5 17.6 31.5 112 112 A G E -E 101 0A 5 16,-0.3 2,-0.3 -2,-0.3 -11,-0.2 -0.847 15.6-170.5-120.5 165.2 -22.6 14.6 32.4 113 113 A Y E +E 100 0A 8 -13,-2.0 -13,-2.1 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