==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (MHC PROTEINTIGEN) 02-APR-99 1QEW . COMPND 2 MOLECULE: PROTEIN (HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.ORTH,C.ALINGS,W.SAENGER,A.ZIEGLER . 384 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18898.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 247 64.3 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 . 135 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 2 7 2 2 0 4 0 2 3 1 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 2 2 0 0 1 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 48 0, 0.0 106,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 28.8 7.0 -14.4 22.9 2 2 A S - 0 0 48 104,-0.1 2,-0.3 103,-0.1 102,-0.2 -0.357 360.0-175.9 -72.6 152.0 6.5 -11.3 20.8 3 3 A H E -A 103 0A 20 100,-2.0 100,-2.4 -2,-0.1 2,-0.3 -0.962 7.2-170.9-146.0 163.5 8.3 -10.8 17.5 4 4 A S E -A 102 0A 7 -2,-0.3 25,-2.1 98,-0.2 2,-0.4 -0.993 18.7-146.9-154.9 158.4 8.8 -8.2 14.8 5 5 A M E +AB 101 28A 1 96,-1.8 96,-1.6 -2,-0.3 2,-0.4 -0.999 29.7 177.1-126.2 126.5 10.2 -7.5 11.3 6 6 A R E -AB 100 27A 81 21,-2.6 21,-3.2 -2,-0.4 2,-0.4 -0.991 19.8-157.9-138.2 142.4 11.5 -4.0 10.7 7 7 A Y E -AB 99 26A 2 92,-2.4 92,-1.6 -2,-0.4 2,-0.4 -0.946 8.5-163.7-117.3 137.6 13.2 -2.1 7.9 8 8 A F E -AB 98 25A 23 17,-2.4 17,-2.0 -2,-0.4 2,-0.4 -0.989 7.2-171.8-123.9 126.6 15.2 1.1 8.5 9 9 A F E -AB 97 24A 0 88,-2.9 88,-2.2 -2,-0.4 2,-0.4 -0.969 4.8-176.7-124.7 133.1 16.1 3.4 5.6 10 10 A T E -AB 96 23A 2 13,-2.8 13,-2.7 -2,-0.4 2,-0.4 -0.993 2.2-178.1-131.4 130.3 18.4 6.4 5.6 11 11 A S E -AB 95 22A 0 84,-2.5 84,-2.4 -2,-0.4 2,-0.5 -0.989 4.5-174.2-130.1 122.7 19.1 8.8 2.7 12 12 A V E -AB 94 21A 7 9,-2.3 9,-2.5 -2,-0.4 82,-0.2 -0.961 19.5-134.6-123.0 118.9 21.6 11.6 3.0 13 13 A S - 0 0 9 80,-2.1 6,-0.1 -2,-0.5 80,-0.0 -0.398 12.8-167.0 -69.3 146.1 22.2 14.3 0.3 14 14 A R > - 0 0 65 4,-0.6 3,-2.3 78,-0.1 78,-0.1 -0.651 17.7-149.1-133.6 71.5 25.8 15.1 -0.5 15 15 A P T 3 S+ 0 0 62 0, 0.0 4,-0.1 0, 0.0 77,-0.1 -0.127 81.7 10.6 -46.9 129.7 25.5 18.4 -2.6 16 16 A G T 3 S+ 0 0 96 2,-0.1 3,-0.1 1,-0.0 74,-0.0 0.553 118.2 78.7 76.5 6.9 28.3 18.6 -5.2 17 17 A R S < S- 0 0 202 -3,-2.3 2,-0.1 1,-0.5 -1,-0.0 -0.069 100.7 -96.7-137.3 34.7 29.3 15.0 -4.5 18 18 A G S S- 0 0 57 3,-0.0 -4,-0.6 -5,-0.0 -1,-0.5 -0.308 70.2 -10.1 88.4-170.0 26.7 13.0 -6.4 19 19 A E S S- 0 0 106 1,-0.1 3,-0.1 -6,-0.1 -7,-0.0 -0.137 85.4 -80.1 -62.0 160.6 23.5 11.2 -5.5 20 20 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.273 45.5-108.1 -64.0 146.9 22.4 10.8 -1.9 21 21 A R E -B 12 0A 78 -9,-2.5 -9,-2.3 -3,-0.1 2,-0.5 -0.651 39.0-161.9 -75.4 129.9 24.0 8.0 0.2 22 22 A F E +B 11 0A 1 -2,-0.4 16,-2.9 -11,-0.2 2,-0.4 -0.968 13.4 176.0-122.3 121.4 21.3 5.4 0.7 23 23 A I E +BC 10 37A 12 -13,-2.7 -13,-2.8 -2,-0.5 2,-0.4 -0.986 1.1 178.0-127.0 130.3 21.5 2.7 3.4 24 24 A A E -BC 9 36A 2 12,-2.4 12,-2.1 -2,-0.4 2,-0.3 -0.989 1.6-178.9-132.3 139.3 18.8 0.1 4.2 25 25 A V E -BC 8 35A 0 -17,-2.0 -17,-2.4 -2,-0.4 2,-0.4 -0.998 13.3-148.8-139.0 140.2 18.8 -2.6 6.8 26 26 A G E -BC 7 34A 0 8,-2.1 7,-2.7 -2,-0.3 8,-1.1 -0.905 16.5-171.8-112.4 139.6 16.2 -5.3 7.7 27 27 A Y E -BC 6 32A 31 -21,-3.2 -21,-2.6 -2,-0.4 2,-0.5 -0.932 24.5-160.8-130.8 152.0 15.7 -6.8 11.1 28 28 A V E > S-BC 5 31A 0 3,-2.1 3,-2.5 -2,-0.3 -23,-0.2 -0.990 83.4 -45.2-124.2 113.9 13.7 -9.6 12.8 29 29 A D T 3 S- 0 0 25 -25,-2.1 -23,-0.1 -2,-0.5 -26,-0.1 -0.412 125.0 -25.8 57.4-126.9 13.6 -8.6 16.5 30 30 A D T 3 S+ 0 0 66 -3,-0.1 2,-0.6 -2,-0.1 -1,-0.3 0.080 118.0 100.4-103.3 24.0 17.2 -7.6 17.2 31 31 A T E < -C 28 0A 29 -3,-2.5 -3,-2.1 148,-0.1 2,-0.2 -0.929 65.1-142.8-113.8 114.6 18.8 -9.7 14.4 32 32 A Q E +C 27 0A 36 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.542 24.6 170.0 -72.9 135.4 19.8 -8.0 11.1 33 33 A F E + 0 0 0 -7,-2.7 15,-2.2 1,-0.3 16,-0.7 0.590 57.9 23.8-121.9 -17.1 19.1 -10.2 8.1 34 34 A V E -CD 26 47A 0 -8,-1.1 -8,-2.1 13,-0.3 2,-0.3 -0.978 55.7-180.0-146.8 161.7 19.6 -8.0 5.1 35 35 A R E -CD 25 46A 30 11,-1.6 11,-3.3 -2,-0.3 2,-0.3 -0.989 9.8-169.2-159.5 154.6 21.4 -4.8 4.0 36 36 A F E -C 24 0A 4 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.5 -0.968 2.9-172.9-147.8 131.3 21.9 -2.5 1.0 37 37 A D E > -C 23 0A 18 -2,-0.3 3,-2.7 7,-0.3 6,-0.3 -0.965 18.2-151.2-129.2 111.6 24.5 0.3 0.7 38 38 A S T 3 S+ 0 0 16 -16,-2.9 -15,-0.1 -2,-0.5 -1,-0.1 0.778 100.4 53.9 -51.9 -26.1 24.2 2.5 -2.4 39 39 A D T 3 S+ 0 0 80 -17,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.469 89.6 96.3 -88.7 -5.1 27.9 3.1 -2.0 40 40 A A S < S- 0 0 26 -3,-2.7 3,-0.0 1,-0.1 -4,-0.0 -0.392 79.1-121.3 -82.3 165.9 28.9 -0.6 -1.9 41 41 A A S S+ 0 0 102 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.0 0.827 101.6 63.8 -77.0 -34.7 30.1 -2.6 -4.9 42 42 A S S S- 0 0 56 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.899 75.6-160.2 -58.1 -45.0 27.5 -5.3 -5.0 43 43 A Q + 0 0 74 -6,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.884 57.1 102.9 61.2 39.1 24.6 -3.0 -5.7 44 44 A R S S- 0 0 87 -7,-0.1 2,-0.3 -9,-0.1 -7,-0.3 -0.980 87.2 -92.2-147.0 155.3 22.3 -5.8 -4.4 45 45 A M - 0 0 6 15,-0.4 -9,-0.2 -2,-0.3 19,-0.2 -0.583 52.2-153.2 -68.0 128.2 20.4 -6.6 -1.2 46 46 A E E -D 35 0A 41 -11,-3.3 -11,-1.6 -2,-0.3 2,-0.1 -0.820 10.4-116.4-109.4 147.7 22.9 -8.7 0.7 47 47 A P E +D 34 0A 40 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.466 28.5 173.3 -78.1 151.7 22.2 -11.4 3.3 48 48 A R + 0 0 110 -15,-2.2 -14,-0.2 1,-0.2 -16,-0.1 0.284 63.5 58.2-139.4 5.1 23.4 -10.9 6.9 49 49 A A S >> S- 0 0 4 -16,-0.7 3,-1.1 1,-0.1 4,-0.6 -0.993 78.2-127.4-138.2 140.3 21.9 -13.9 8.7 50 50 A P G >4 S+ 0 0 100 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.901 106.0 55.9 -51.8 -50.2 22.4 -17.6 7.9 51 51 A W G >4 S+ 0 0 11 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.655 100.4 58.4 -62.3 -19.3 18.7 -18.5 7.6 52 52 A I G X4 S+ 0 0 0 -3,-1.1 3,-1.3 1,-0.2 -1,-0.3 0.671 87.4 75.1 -85.0 -16.7 18.0 -15.8 5.0 53 53 A E G << S+ 0 0 128 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.644 80.0 75.5 -68.3 -11.5 20.6 -17.4 2.6 54 54 A Q G < S+ 0 0 114 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.862 72.2 102.5 -66.6 -35.7 18.0 -20.1 2.0 55 55 A E S < S- 0 0 14 -3,-1.3 5,-0.0 -4,-0.2 -3,-0.0 -0.181 72.8-126.3 -52.7 137.0 16.0 -17.7 -0.2 56 56 A G > - 0 0 36 1,-0.1 4,-1.7 3,-0.0 3,-0.4 -0.090 30.2 -85.6 -79.0-179.8 16.4 -18.3 -3.9 57 57 A P H > S+ 0 0 102 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.835 124.7 59.2 -54.9 -39.2 17.5 -16.0 -6.8 58 58 A E H > S+ 0 0 179 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 105.3 50.2 -58.5 -45.8 13.9 -14.8 -7.3 59 59 A Y H > S+ 0 0 18 -3,-0.4 4,-3.1 1,-0.2 5,-0.2 0.960 113.0 44.6 -56.0 -55.7 13.9 -13.5 -3.7 60 60 A W H X S+ 0 0 32 -4,-1.7 4,-2.2 1,-0.2 -15,-0.4 0.842 113.5 48.6 -61.2 -38.6 17.2 -11.6 -4.0 61 61 A D H X S+ 0 0 87 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.896 114.7 48.6 -67.7 -38.8 16.4 -10.1 -7.4 62 62 A G H X S+ 0 0 16 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.954 113.4 43.7 -64.5 -52.2 13.0 -9.0 -6.1 63 63 A E H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.887 114.2 52.1 -61.1 -39.5 14.4 -7.5 -2.9 64 64 A T H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.943 109.3 48.9 -61.4 -49.9 17.2 -5.8 -4.8 65 65 A R H X S+ 0 0 173 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.906 115.7 44.1 -56.5 -45.0 14.7 -4.3 -7.3 66 66 A K H X S+ 0 0 17 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.898 111.8 50.6 -70.7 -41.6 12.6 -3.0 -4.4 67 67 A V H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.902 111.6 49.5 -64.6 -37.5 15.4 -1.6 -2.3 68 68 A K H X S+ 0 0 87 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.883 109.9 51.2 -66.3 -38.2 16.8 0.2 -5.3 69 69 A A H X S+ 0 0 43 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.858 107.2 53.1 -66.7 -35.5 13.3 1.6 -6.0 70 70 A H H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.907 107.5 53.5 -63.7 -39.9 13.1 2.8 -2.3 71 71 A S H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.953 109.2 46.5 -58.2 -52.2 16.4 4.5 -3.0 72 72 A Q H X S+ 0 0 95 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.891 109.9 54.7 -58.4 -42.6 15.1 6.4 -6.0 73 73 A T H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 313,-0.3 0.917 109.7 46.0 -58.6 -46.4 12.0 7.4 -4.1 74 74 A H H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.807 106.8 58.7 -69.6 -28.3 13.9 8.9 -1.3 75 75 A R H X S+ 0 0 61 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.954 110.7 42.6 -63.2 -47.2 16.2 10.7 -3.7 76 76 A V H X S+ 0 0 64 -4,-2.1 4,-2.3 1,-0.2 3,-0.3 0.918 110.4 57.9 -62.7 -45.2 13.2 12.5 -5.2 77 77 A D H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.918 99.3 58.1 -51.7 -50.2 11.8 13.0 -1.7 78 78 A L H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.892 110.2 42.7 -48.3 -48.1 14.9 15.0 -0.6 79 79 A G H X S+ 0 0 28 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.905 113.9 51.6 -67.4 -41.1 14.4 17.5 -3.4 80 80 A T H X S+ 0 0 41 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.921 108.7 51.7 -60.3 -45.6 10.7 17.7 -2.8 81 81 A L H X S+ 0 0 0 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.854 102.8 57.5 -61.8 -38.3 11.2 18.4 0.9 82 82 A R H <>S+ 0 0 32 -4,-1.6 5,-2.9 -5,-0.3 4,-0.2 0.929 109.3 47.3 -59.7 -41.1 13.6 21.2 0.3 83 83 A G H ><5S+ 0 0 44 -4,-1.6 3,-1.6 3,-0.2 -2,-0.2 0.941 108.7 53.2 -63.9 -47.0 10.9 22.9 -1.7 84 84 A Y H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.881 117.7 38.0 -54.9 -40.7 8.3 22.2 1.0 85 85 A Y T 3<5S- 0 0 63 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.318 109.2-122.7 -94.8 8.0 10.6 23.9 3.5 86 86 A N T < 5 + 0 0 152 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 0.945 57.3 158.1 50.0 53.1 11.8 26.6 1.2 87 87 A Q < - 0 0 64 -5,-2.9 -1,-0.2 -6,-0.1 2,-0.1 -0.750 40.9-113.1-107.6 156.7 15.4 25.5 1.7 88 88 A S - 0 0 81 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 -0.309 22.8-118.4 -80.3 169.7 18.4 26.1 -0.5 89 89 A E S S+ 0 0 124 1,-0.2 -1,-0.1 -2,-0.1 -7,-0.0 0.340 96.2 87.4 -89.2 6.2 20.3 23.3 -2.3 90 90 A A S S+ 0 0 81 2,-0.1 -1,-0.2 -75,-0.0 2,-0.1 0.871 75.3 65.0 -76.1 -40.4 23.5 24.1 -0.3 91 91 A G S S- 0 0 29 -3,-0.3 2,-0.3 1,-0.1 -78,-0.0 -0.350 81.1-109.6 -87.7 167.0 23.1 22.0 2.8 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102 A D E -AE 4 111A 2 9,-2.4 8,-3.1 -2,-0.3 9,-1.4 -0.963 11.9-165.5-124.0 144.8 4.7 -7.1 15.4 103 103 A V E -AE 3 109A 0 -100,-2.4 -100,-2.0 -2,-0.4 6,-0.2 -0.895 19.3-120.7-125.0 155.7 3.1 -10.5 16.0 104 104 A G > - 0 0 8 4,-2.1 3,-2.2 -2,-0.3 -1,-0.1 -0.049 45.6 -77.0 -84.0-169.0 2.1 -12.0 19.4 105 105 A S T 3 S+ 0 0 90 1,-0.3 -1,-0.1 2,-0.1 -103,-0.1 0.701 136.4 54.2 -62.8 -19.8 3.2 -15.2 21.0 106 106 A D T 3 S- 0 0 105 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.416 116.9-119.3 -91.4 -1.3 0.8 -16.9 18.6 107 107 A W < + 0 0 45 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.782 69.3 135.2 66.9 29.7 2.6 -15.2 15.7 108 108 A R - 0 0 125 1,-0.1 -4,-2.1 61,-0.0 -1,-0.3 -0.801 68.3 -72.7-106.7 152.3 -0.6 -13.4 14.7 109 109 A F E +E 103 0A 65 -2,-0.3 -6,-0.3 52,-0.2 -1,-0.1 -0.068 52.8 163.4 -45.2 132.2 -0.7 -9.7 13.7 110 110 A L E - 0 0 75 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.693 60.6 -26.0-117.6 -50.1 -0.4 -7.4 16.7 111 111 A R E -E 102 0A 83 -9,-1.4 -9,-2.4 49,-0.1 -1,-0.4 -0.991 49.4-142.4-165.0 160.5 0.5 -4.0 15.2 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